REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1756, 116.258, 172.036, 83.7548, 678.602, -691.401, -2122.7, 6.53423, 0.911699 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.905494E-03,0.506549,1.34675,42.4439,5.347539E-03,0.284412 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 58, 22 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:28 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.507 -16.936 8.010 1.00 40.45 ATOM 2 CB MET 1 17.906 -15.782 6.864 1.00 65.22 ATOM 3 HB1 MET 1 18.614 -15.954 6.065 1.00 37.85 ATOM 4 HB2 MET 1 18.443 -15.453 7.742 1.00 64.22 ATOM 5 CG MET 1 16.965 -14.662 6.436 1.00 21.55 ATOM 6 HG1 MET 1 16.287 -14.448 7.250 1.00 37.85 ATOM 7 HG2 MET 1 16.398 -14.992 5.577 1.00 64.54 ATOM 8 SD MET 1 17.841 -13.146 5.999 1.00 23.23 ATOM 9 CE MET 1 16.469 -12.070 5.580 1.00 75.14 ATOM 10 HE1 MET 1 15.811 -11.976 6.431 1.00 3.51 ATOM 11 HE2 MET 1 15.922 -12.488 4.747 1.00 75.34 ATOM 12 HE3 MET 1 16.846 -11.096 5.309 1.00 23.22 ATOM 13 C MET 1 16.380 -17.568 5.967 1.00 32.12 ATOM 14 O MET 1 16.914 -17.680 4.865 1.00 51.23 ATOM 15 N MET 1 18.172 -18.137 7.611 1.00 55.45 ATOM 16 HT1 MET 1 18.709 -17.808 8.440 1.00 37.85 ATOM 17 HT2 MET 1 18.840 -18.338 6.839 1.00 37.85 ATOM 18 HT3 MET 1 17.678 -19.019 7.862 1.00 37.85 ATOM 19 CA MET 1 17.189 -17.102 7.187 1.00 11.22 ATOM 20 N GLY 2 15.093 -17.836 6.173 1.00 74.52 ATOM 21 HN GLY 2 14.727 -17.757 7.079 1.00 37.85 ATOM 22 CA GLY 2 14.220 -18.252 5.076 1.00 23.21 ATOM 23 HA1 GLY 2 14.174 -19.331 5.058 1.00 37.85 ATOM 24 HA2 GLY 2 14.638 -17.907 4.139 1.00 15.25 ATOM 25 C GLY 2 12.803 -17.703 5.207 1.00 21.50 ATOM 26 O GLY 2 12.533 -16.867 6.070 1.00 42.20 ATOM 27 N HIS 3 11.896 -18.167 4.348 1.00 34.42 ATOM 28 HN HIS 3 12.171 -18.822 3.670 1.00 37.85 ATOM 29 CA HIS 3 10.494 -17.732 4.402 1.00 30.42 ATOM 30 HA HIS 3 10.488 -16.671 4.624 1.00 24.43 ATOM 31 CB HIS 3 9.818 -17.961 3.049 1.00 3.21 ATOM 32 HB1 HIS 3 8.800 -17.600 3.094 1.00 37.85 ATOM 33 HB2 HIS 3 9.810 -19.018 2.828 1.00 40.15 ATOM 34 CG HIS 3 10.504 -17.259 1.919 1.00 24.14 ATOM 35 ND1 HIS 3 10.497 -15.888 1.768 1.00 23.54 ATOM 36 HD1 HIS 3 10.064 -15.244 2.372 1.00 11.13 ATOM 37 CD2 HIS 3 11.233 -17.741 0.883 1.00 12.42 ATOM 38 HD2 HIS 3 11.455 -18.778 0.683 1.00 64.35 ATOM 39 CE1 HIS 3 11.184 -15.561 0.694 1.00 20.50 ATOM 40 HE1 HIS 3 11.351 -14.557 0.332 1.00 63.10 ATOM 41 NE2 HIS 3 11.639 -16.663 0.142 1.00 64.51 ATOM 42 HE2 HIS 3 12.160 -16.705 -0.690 1.00 37.85 ATOM 43 C HIS 3 9.741 -18.471 5.523 1.00 63.41 ATOM 44 O HIS 3 9.976 -19.656 5.757 1.00 11.54 ATOM 45 N HIS 4 8.825 -17.780 6.206 1.00 10.43 ATOM 46 HN HIS 4 8.529 -16.906 5.871 1.00 37.85 ATOM 47 CA HIS 4 8.259 -18.314 7.452 1.00 25.31 ATOM 48 HA HIS 4 8.476 -19.373 7.486 1.00 73.33 ATOM 49 CB HIS 4 8.963 -17.636 8.641 1.00 33.22 ATOM 50 HB1 HIS 4 8.591 -16.625 8.741 1.00 37.85 ATOM 51 HB2 HIS 4 10.025 -17.597 8.442 1.00 44.10 ATOM 52 CG HIS 4 8.773 -18.331 9.957 1.00 52.11 ATOM 53 ND1 HIS 4 9.788 -19.002 10.604 1.00 40.20 ATOM 54 HD1 HIS 4 10.710 -19.094 10.281 1.00 34.14 ATOM 55 CD2 HIS 4 7.687 -18.444 10.759 1.00 24.44 ATOM 56 HD2 HIS 4 6.706 -18.033 10.570 1.00 24.23 ATOM 57 CE1 HIS 4 9.338 -19.496 11.738 1.00 64.10 ATOM 58 HE1 HIS 4 9.917 -20.063 12.454 1.00 73.24 ATOM 59 NE2 HIS 4 8.066 -19.174 11.858 1.00 35.53 ATOM 60 HE2 HIS 4 7.555 -19.235 12.695 1.00 37.85 ATOM 61 C HIS 4 6.727 -18.125 7.565 1.00 34.44 ATOM 62 O HIS 4 6.234 -17.003 7.708 1.00 10.24 ATOM 63 N HIS 5 5.989 -19.241 7.492 1.00 33.41 ATOM 64 HN HIS 5 6.410 -20.060 7.141 1.00 37.85 ATOM 65 CA HIS 5 4.563 -19.294 7.888 1.00 44.40 ATOM 66 HA HIS 5 4.276 -20.335 7.900 1.00 14.41 ATOM 67 CB HIS 5 4.404 -18.727 9.315 1.00 14.42 ATOM 68 HB1 HIS 5 4.391 -17.647 9.263 1.00 37.85 ATOM 69 HB2 HIS 5 5.252 -19.035 9.909 1.00 42.12 ATOM 70 CG HIS 5 3.160 -19.166 10.043 1.00 2.42 ATOM 71 ND1 HIS 5 1.885 -18.821 9.651 1.00 23.04 ATOM 72 HD1 HIS 5 1.654 -18.281 8.865 1.00 30.42 ATOM 73 CD2 HIS 5 3.012 -19.917 11.163 1.00 62.44 ATOM 74 HD2 HIS 5 3.806 -20.367 11.741 1.00 62.25 ATOM 75 CE1 HIS 5 1.010 -19.334 10.495 1.00 5.22 ATOM 76 HE1 HIS 5 -0.063 -19.229 10.432 1.00 70.24 ATOM 77 NE2 HIS 5 1.666 -20.004 11.424 1.00 23.32 ATOM 78 HE2 HIS 5 1.281 -20.274 12.290 1.00 37.85 ATOM 79 C HIS 5 3.631 -18.548 6.905 1.00 45.01 ATOM 80 O HIS 5 2.713 -17.838 7.322 1.00 11.41 ATOM 81 N HIS 6 3.848 -18.728 5.603 1.00 52.43 ATOM 82 HN HIS 6 4.622 -19.261 5.317 1.00 37.85 ATOM 83 CA HIS 6 2.952 -18.153 4.582 1.00 43.35 ATOM 84 HA HIS 6 2.027 -17.880 5.074 1.00 24.41 ATOM 85 CB HIS 6 3.567 -16.892 3.961 1.00 12.34 ATOM 86 HB1 HIS 6 2.918 -16.531 3.174 1.00 37.85 ATOM 87 HB2 HIS 6 4.530 -17.138 3.538 1.00 72.44 ATOM 88 CG HIS 6 3.765 -15.776 4.942 1.00 35.45 ATOM 89 ND1 HIS 6 2.731 -15.208 5.652 1.00 45.32 ATOM 90 HD1 HIS 6 1.788 -15.470 5.599 1.00 53.14 ATOM 91 CD2 HIS 6 4.883 -15.119 5.331 1.00 22.51 ATOM 92 HD2 HIS 6 5.889 -15.302 4.979 1.00 75.42 ATOM 93 CE1 HIS 6 3.199 -14.257 6.430 1.00 63.13 ATOM 94 HE1 HIS 6 2.614 -13.641 7.096 1.00 72.30 ATOM 95 NE2 HIS 6 4.502 -14.179 6.257 1.00 75.40 ATOM 96 HE2 HIS 6 5.043 -13.406 6.515 1.00 37.85 ATOM 97 C HIS 6 2.621 -19.179 3.485 1.00 23.33 ATOM 98 O HIS 6 3.327 -20.172 3.314 1.00 73.33 ATOM 99 N HIS 7 1.553 -18.926 2.728 1.00 14.04 ATOM 100 HN HIS 7 1.087 -18.066 2.831 1.00 37.85 ATOM 101 CA HIS 7 1.064 -19.895 1.734 1.00 51.40 ATOM 102 HA HIS 7 1.821 -20.660 1.622 1.00 43.21 ATOM 103 CB HIS 7 -0.225 -20.559 2.245 1.00 13.24 ATOM 104 HB1 HIS 7 0.005 -21.144 3.125 1.00 37.85 ATOM 105 HB2 HIS 7 -0.615 -21.212 1.479 1.00 44.12 ATOM 106 CG HIS 7 -1.304 -19.583 2.610 1.00 14.04 ATOM 107 ND1 HIS 7 -2.316 -19.225 1.748 1.00 65.33 ATOM 108 HD1 HIS 7 -2.445 -19.569 0.839 1.00 52.34 ATOM 109 CD2 HIS 7 -1.519 -18.879 3.748 1.00 11.14 ATOM 110 HD2 HIS 7 -0.920 -18.915 4.649 1.00 44.43 ATOM 111 CE1 HIS 7 -3.102 -18.346 2.334 1.00 14.41 ATOM 112 HE1 HIS 7 -3.978 -17.893 1.896 1.00 24.13 ATOM 113 NE2 HIS 7 -2.643 -18.119 3.547 1.00 41.54 ATOM 114 HE2 HIS 7 -2.951 -17.396 4.135 1.00 37.85 ATOM 115 C HIS 7 0.818 -19.248 0.357 1.00 51.00 ATOM 116 O HIS 7 0.256 -18.158 0.256 1.00 14.34 ATOM 117 N HIS 8 1.246 -19.936 -0.701 1.00 52.51 ATOM 118 HN HIS 8 1.722 -20.781 -0.555 1.00 37.85 ATOM 119 CA HIS 8 1.020 -19.482 -2.082 1.00 75.12 ATOM 120 HA HIS 8 0.336 -18.643 -2.052 1.00 15.51 ATOM 121 CB HIS 8 2.340 -19.024 -2.723 1.00 13.14 ATOM 122 HB1 HIS 8 2.166 -18.793 -3.766 1.00 37.85 ATOM 123 HB2 HIS 8 3.061 -19.826 -2.656 1.00 61.00 ATOM 124 CG HIS 8 2.941 -17.809 -2.077 1.00 64.44 ATOM 125 ND1 HIS 8 4.263 -17.736 -1.692 1.00 24.43 ATOM 126 HD1 HIS 8 4.933 -18.447 -1.801 1.00 2.05 ATOM 127 CD2 HIS 8 2.399 -16.605 -1.763 1.00 24.12 ATOM 128 HD2 HIS 8 1.375 -16.299 -1.929 1.00 61.13 ATOM 129 CE1 HIS 8 4.507 -16.550 -1.171 1.00 51.54 ATOM 130 HE1 HIS 8 5.460 -16.210 -0.792 1.00 65.41 ATOM 131 NE2 HIS 8 3.396 -15.845 -1.200 1.00 42.13 ATOM 132 HE2 HIS 8 3.262 -14.989 -0.734 1.00 37.85 ATOM 133 C HIS 8 0.383 -20.596 -2.929 1.00 43.11 ATOM 134 O HIS 8 0.118 -21.693 -2.430 1.00 14.15 ATOM 135 N SER 9 0.135 -20.306 -4.205 1.00 64.14 ATOM 136 HN SER 9 0.343 -19.407 -4.539 1.00 37.85 ATOM 137 CA SER 9 -0.444 -21.294 -5.129 1.00 21.41 ATOM 138 HA SER 9 -1.296 -21.741 -4.635 1.00 31.21 ATOM 139 CB SER 9 -0.925 -20.611 -6.418 1.00 21.20 ATOM 140 HB1 SER 9 -1.688 -19.886 -6.172 1.00 37.85 ATOM 141 HB2 SER 9 -1.340 -21.354 -7.084 1.00 31.21 ATOM 142 OG SER 9 0.137 -19.946 -7.088 1.00 73.04 ATOM 143 HG SER 9 0.519 -20.538 -7.751 1.00 24.45 ATOM 144 C SER 9 0.559 -22.407 -5.471 1.00 71.41 ATOM 145 O SER 9 1.747 -22.312 -5.158 1.00 21.50 ATOM 146 N HIS 10 0.073 -23.464 -6.116 1.00 51.12 ATOM 147 HN HIS 10 -0.874 -23.471 -6.376 1.00 37.85 ATOM 148 CA HIS 10 0.915 -24.615 -6.457 1.00 52.10 ATOM 149 HA HIS 10 1.590 -24.776 -5.627 1.00 4.05 ATOM 150 CB HIS 10 0.053 -25.870 -6.631 1.00 43.42 ATOM 151 HB1 HIS 10 0.638 -26.638 -7.117 1.00 37.85 ATOM 152 HB2 HIS 10 -0.801 -25.630 -7.247 1.00 31.43 ATOM 153 CG HIS 10 -0.451 -26.425 -5.332 1.00 75.43 ATOM 154 ND1 HIS 10 0.198 -27.431 -4.646 1.00 63.45 ATOM 155 HD1 HIS 10 1.016 -27.895 -4.941 1.00 21.22 ATOM 156 CD2 HIS 10 -1.535 -26.106 -4.585 1.00 1.04 ATOM 157 HD2 HIS 10 -2.280 -25.357 -4.820 1.00 22.34 ATOM 158 CE1 HIS 10 -0.461 -27.704 -3.538 1.00 44.40 ATOM 159 HE1 HIS 10 -0.185 -28.446 -2.805 1.00 30.35 ATOM 160 NE2 HIS 10 -1.513 -26.915 -3.477 1.00 45.42 ATOM 161 HE2 HIS 10 -2.127 -26.852 -2.713 1.00 37.85 ATOM 162 C HIS 10 1.759 -24.373 -7.717 1.00 11.23 ATOM 163 O HIS 10 1.344 -23.679 -8.647 1.00 31.11 ATOM 164 N MET 11 2.949 -24.963 -7.726 1.00 51.53 ATOM 165 HN MET 11 3.211 -25.497 -6.946 1.00 37.85 ATOM 166 CA MET 11 3.886 -24.860 -8.849 1.00 64.43 ATOM 167 HA MET 11 3.563 -24.049 -9.488 1.00 25.54 ATOM 168 CB MET 11 5.287 -24.548 -8.303 1.00 12.14 ATOM 169 HB1 MET 11 5.962 -24.399 -9.133 1.00 37.85 ATOM 170 HB2 MET 11 5.630 -25.392 -7.719 1.00 73.10 ATOM 171 CG MET 11 5.333 -23.307 -7.419 1.00 24.00 ATOM 172 HG1 MET 11 4.605 -23.416 -6.627 1.00 37.85 ATOM 173 HG2 MET 11 5.081 -22.443 -8.018 1.00 51.51 ATOM 174 SD MET 11 6.957 -23.037 -6.677 1.00 14.23 ATOM 175 CE MET 11 7.966 -22.817 -8.141 1.00 62.34 ATOM 176 HE1 MET 11 7.917 -23.707 -8.751 1.00 33.32 ATOM 177 HE2 MET 11 8.990 -22.638 -7.848 1.00 33.03 ATOM 178 HE3 MET 11 7.602 -21.972 -8.706 1.00 12.42 ATOM 179 C MET 11 3.907 -26.168 -9.668 1.00 13.54 ATOM 180 O MET 11 3.525 -27.225 -9.163 1.00 43.21 ATOM 181 N PRO 12 4.336 -26.121 -10.949 1.00 63.53 ATOM 182 CA PRO 12 4.420 -27.327 -11.795 1.00 13.12 ATOM 183 HA PRO 12 3.472 -27.847 -11.824 1.00 55.03 ATOM 184 CB PRO 12 4.736 -26.763 -13.191 1.00 74.03 ATOM 185 HB1 PRO 12 3.818 -26.641 -13.749 1.00 37.85 ATOM 186 HB2 PRO 12 5.395 -27.438 -13.721 1.00 31.14 ATOM 187 CG PRO 12 5.393 -25.448 -12.929 1.00 70.12 ATOM 188 HG1 PRO 12 5.220 -24.778 -13.759 1.00 37.85 ATOM 189 HG2 PRO 12 6.454 -25.591 -12.778 1.00 32.44 ATOM 190 CD PRO 12 4.752 -24.905 -11.677 1.00 45.32 ATOM 191 HD1 PRO 12 3.897 -24.292 -11.923 1.00 37.85 ATOM 192 HD2 PRO 12 5.470 -24.337 -11.102 1.00 61.13 ATOM 193 C PRO 12 5.517 -28.308 -11.334 1.00 75.23 ATOM 194 O PRO 12 6.677 -28.202 -11.742 1.00 11.41 ATOM 195 N ASP 13 5.144 -29.253 -10.471 1.00 15.41 ATOM 196 HN ASP 13 4.207 -29.292 -10.188 1.00 37.85 ATOM 197 CA ASP 13 6.096 -30.228 -9.922 1.00 41.20 ATOM 198 HA ASP 13 7.051 -29.733 -9.808 1.00 33.50 ATOM 199 CB ASP 13 5.623 -30.710 -8.547 1.00 74.33 ATOM 200 HB1 ASP 13 6.366 -31.377 -8.131 1.00 37.85 ATOM 201 HB2 ASP 13 4.692 -31.248 -8.664 1.00 45.32 ATOM 202 CG ASP 13 5.401 -29.573 -7.567 1.00 32.34 ATOM 203 OD1 ASP 13 4.315 -29.520 -6.949 1.00 33.20 ATOM 204 OD2 ASP 13 6.308 -28.735 -7.407 1.00 74.04 ATOM 205 C ASP 13 6.279 -31.442 -10.847 1.00 10.15 ATOM 206 O ASP 13 5.727 -31.497 -11.947 1.00 50.04 ATOM 207 N HIS 14 7.067 -32.417 -10.389 1.00 51.30 ATOM 208 HN HIS 14 7.531 -32.288 -9.535 1.00 37.85 ATOM 209 CA HIS 14 7.268 -33.669 -11.128 1.00 71.14 ATOM 210 HA HIS 14 7.015 -33.490 -12.165 1.00 53.35 ATOM 211 CB HIS 14 8.736 -34.100 -11.046 1.00 50.25 ATOM 212 HB1 HIS 14 8.858 -35.038 -11.569 1.00 37.85 ATOM 213 HB2 HIS 14 9.008 -34.233 -10.010 1.00 73.53 ATOM 214 CG HIS 14 9.687 -33.112 -11.647 1.00 42.13 ATOM 215 ND1 HIS 14 10.420 -32.215 -10.899 1.00 33.55 ATOM 216 HD1 HIS 14 10.408 -32.135 -9.921 1.00 13.20 ATOM 217 CD2 HIS 14 10.026 -32.883 -12.938 1.00 24.54 ATOM 218 HD2 HIS 14 9.647 -33.407 -13.804 1.00 2.43 ATOM 219 CE1 HIS 14 11.164 -31.480 -11.701 1.00 4.04 ATOM 220 HE1 HIS 14 11.840 -30.696 -11.394 1.00 14.12 ATOM 221 NE2 HIS 14 10.943 -31.866 -12.938 1.00 34.31 ATOM 222 HE2 HIS 14 11.316 -31.434 -13.739 1.00 37.85 ATOM 223 C HIS 14 6.361 -34.792 -10.593 1.00 51.11 ATOM 224 O HIS 14 6.330 -35.891 -11.147 1.00 54.31 ATOM 225 N GLY 15 5.639 -34.512 -9.505 1.00 4.43 ATOM 226 HN GLY 15 5.748 -33.643 -9.072 1.00 37.85 ATOM 227 CA GLY 15 4.697 -35.483 -8.952 1.00 31.52 ATOM 228 HA1 GLY 15 4.338 -35.115 -8.003 1.00 37.85 ATOM 229 HA2 GLY 15 5.211 -36.419 -8.791 1.00 73.40 ATOM 230 C GLY 15 3.505 -35.727 -9.865 1.00 51.35 ATOM 231 O GLY 15 3.047 -36.862 -10.021 1.00 73.54 ATOM 232 N ASP 16 2.995 -34.652 -10.457 1.00 72.04 ATOM 233 HN ASP 16 3.313 -33.767 -10.187 1.00 37.85 ATOM 234 CA ASP 16 1.965 -34.747 -11.489 1.00 64.44 ATOM 235 HA ASP 16 1.152 -35.346 -11.102 1.00 2.44 ATOM 236 CB ASP 16 1.450 -33.343 -11.822 1.00 73.12 ATOM 237 HB1 ASP 16 0.624 -33.424 -12.514 1.00 37.85 ATOM 238 HB2 ASP 16 2.244 -32.773 -12.287 1.00 73.43 ATOM 239 CG ASP 16 0.976 -32.593 -10.586 1.00 12.53 ATOM 240 OD1 ASP 16 1.830 -32.070 -9.838 1.00 15.24 ATOM 241 OD2 ASP 16 -0.252 -32.512 -10.361 1.00 61.34 ATOM 242 C ASP 16 2.535 -35.423 -12.752 1.00 0.04 ATOM 243 O ASP 16 3.656 -35.936 -12.732 1.00 5.42 ATOM 244 N TRP 17 1.764 -35.419 -13.845 1.00 10.01 ATOM 245 HN TRP 17 0.871 -35.015 -13.786 1.00 37.85 ATOM 246 CA TRP 17 2.190 -36.009 -15.138 1.00 72.24 ATOM 247 HA TRP 17 1.471 -35.694 -15.883 1.00 41.31 ATOM 248 CB TRP 17 3.596 -35.517 -15.568 1.00 55.53 ATOM 249 HB1 TRP 17 3.727 -35.717 -16.623 1.00 37.85 ATOM 250 HB2 TRP 17 4.343 -36.069 -15.016 1.00 4.32 ATOM 251 CG TRP 17 3.858 -34.048 -15.342 1.00 51.21 ATOM 252 CD1 TRP 17 4.578 -33.500 -14.316 1.00 44.53 ATOM 253 HD1 TRP 17 5.046 -34.073 -13.528 1.00 71.35 ATOM 254 CD2 TRP 17 3.425 -32.948 -16.153 1.00 53.14 ATOM 255 NE1 TRP 17 4.610 -32.136 -14.433 1.00 73.11 ATOM 256 HE1 TRP 17 5.060 -31.521 -13.813 1.00 30.42 ATOM 257 CE2 TRP 17 3.912 -31.770 -15.551 1.00 73.14 ATOM 258 CE3 TRP 17 2.673 -32.840 -17.327 1.00 15.12 ATOM 259 HE3 TRP 17 2.280 -33.717 -17.821 1.00 43.42 ATOM 260 CZ2 TRP 17 3.672 -30.507 -16.080 1.00 22.23 ATOM 261 HZ2 TRP 17 4.051 -29.613 -15.610 1.00 30.34 ATOM 262 CZ3 TRP 17 2.437 -31.582 -17.852 1.00 3.15 ATOM 263 HZ3 TRP 17 1.857 -31.479 -18.759 1.00 44.12 ATOM 264 CH2 TRP 17 2.934 -30.431 -17.229 1.00 54.15 ATOM 265 HH2 TRP 17 2.724 -29.469 -17.675 1.00 13.33 ATOM 266 C TRP 17 2.190 -37.557 -15.087 1.00 10.33 ATOM 267 O TRP 17 1.770 -38.227 -16.034 1.00 33.23 ATOM 268 N THR 18 2.684 -38.111 -13.977 1.00 14.34 ATOM 269 HN THR 18 2.999 -37.525 -13.265 1.00 37.85 ATOM 270 CA THR 18 2.783 -39.562 -13.778 1.00 51.34 ATOM 271 HA THR 18 3.320 -39.977 -14.620 1.00 1.12 ATOM 272 CB THR 18 3.577 -39.895 -12.489 1.00 54.23 ATOM 273 HB THR 18 3.634 -40.970 -12.386 1.00 0.13 ATOM 274 OG1 THR 18 2.909 -39.352 -11.334 1.00 51.44 ATOM 275 HG1 THR 18 3.308 -38.501 -11.100 1.00 14.43 ATOM 276 CG2 THR 18 4.997 -39.341 -12.560 1.00 4.33 ATOM 277 HG21 THR 18 4.960 -38.273 -12.724 1.00 55.15 ATOM 278 HG22 THR 18 5.529 -39.811 -13.376 1.00 42.41 ATOM 279 HG23 THR 18 5.511 -39.544 -11.633 1.00 12.21 ATOM 280 C THR 18 1.411 -40.236 -13.683 1.00 22.02 ATOM 281 O THR 18 0.412 -39.605 -13.329 1.00 52.13 ATOM 282 N TYR 19 1.379 -41.526 -14.009 1.00 4.41 ATOM 283 HN TYR 19 2.196 -41.944 -14.353 1.00 37.85 ATOM 284 CA TYR 19 0.165 -42.341 -13.893 1.00 12.31 ATOM 285 HA TYR 19 -0.577 -41.916 -14.554 1.00 11.12 ATOM 286 CB TYR 19 0.460 -43.780 -14.346 1.00 15.42 ATOM 287 HB1 TYR 19 0.666 -43.777 -15.408 1.00 37.85 ATOM 288 HB2 TYR 19 -0.409 -44.393 -14.160 1.00 34.24 ATOM 289 CG TYR 19 1.647 -44.424 -13.640 1.00 3.11 ATOM 290 CD1 TYR 19 1.489 -45.079 -12.425 1.00 52.02 ATOM 291 HD1 TYR 19 0.506 -45.125 -11.976 1.00 11.35 ATOM 292 CD2 TYR 19 2.925 -44.380 -14.195 1.00 5.30 ATOM 293 HD2 TYR 19 3.072 -43.875 -15.140 1.00 61.14 ATOM 294 CE1 TYR 19 2.562 -45.670 -11.785 1.00 43.23 ATOM 295 HE1 TYR 19 2.414 -46.174 -10.840 1.00 31.11 ATOM 296 CE2 TYR 19 4.002 -44.969 -13.558 1.00 55.21 ATOM 297 HE2 TYR 19 4.986 -44.921 -14.004 1.00 3.42 ATOM 298 CZ TYR 19 3.814 -45.612 -12.353 1.00 3.31 ATOM 299 OH TYR 19 4.879 -46.211 -11.717 1.00 0.44 ATOM 300 HH TYR 19 4.566 -47.002 -11.255 1.00 65.42 ATOM 301 C TYR 19 -0.398 -42.333 -12.458 1.00 13.44 ATOM 302 O TYR 19 0.331 -42.082 -11.501 1.00 13.32 ATOM 303 N GLU 20 -1.696 -42.623 -12.334 1.00 75.52 ATOM 304 HN GLU 20 -2.195 -42.870 -13.140 1.00 37.85 ATOM 305 CA GLU 20 -2.415 -42.583 -11.045 1.00 52.03 ATOM 306 HA GLU 20 -2.465 -41.551 -10.729 1.00 72.41 ATOM 307 CB GLU 20 -3.846 -43.109 -11.245 1.00 74.23 ATOM 308 HB1 GLU 20 -3.793 -44.119 -11.631 1.00 37.85 ATOM 309 HB2 GLU 20 -4.346 -42.487 -11.975 1.00 62.41 ATOM 310 CG GLU 20 -4.698 -43.129 -9.976 1.00 3.34 ATOM 311 HG1 GLU 20 -4.145 -43.638 -9.198 1.00 37.85 ATOM 312 HG2 GLU 20 -5.607 -43.675 -10.181 1.00 63.31 ATOM 313 CD GLU 20 -5.070 -41.740 -9.484 1.00 14.14 ATOM 314 OE1 GLU 20 -5.955 -41.113 -10.097 1.00 71.00 ATOM 315 OE2 GLU 20 -4.495 -41.274 -8.475 1.00 62.42 ATOM 316 C GLU 20 -1.722 -43.407 -9.943 1.00 32.32 ATOM 317 O GLU 20 -1.596 -42.958 -8.800 1.00 41.13 ATOM 318 N GLU 21 -1.284 -44.611 -10.295 1.00 61.52 ATOM 319 HN GLU 21 -1.359 -44.884 -11.231 1.00 37.85 ATOM 320 CA GLU 21 -0.683 -45.541 -9.331 1.00 22.23 ATOM 321 HA GLU 21 -1.402 -45.704 -8.540 1.00 35.23 ATOM 322 CB GLU 21 -0.396 -46.889 -10.021 1.00 60.13 ATOM 323 HB1 GLU 21 0.347 -46.732 -10.790 1.00 37.85 ATOM 324 HB2 GLU 21 -1.307 -47.240 -10.488 1.00 12.44 ATOM 325 CG GLU 21 0.110 -47.987 -9.087 1.00 24.35 ATOM 326 HG1 GLU 21 0.980 -47.620 -8.559 1.00 37.85 ATOM 327 HG2 GLU 21 0.394 -48.845 -9.682 1.00 53.23 ATOM 328 CD GLU 21 -0.930 -48.426 -8.066 1.00 30.00 ATOM 329 OE1 GLU 21 -1.174 -47.678 -7.097 1.00 34.31 ATOM 330 OE2 GLU 21 -1.510 -49.522 -8.231 1.00 14.34 ATOM 331 C GLU 21 0.611 -44.974 -8.713 1.00 73.52 ATOM 332 O GLU 21 1.254 -44.086 -9.278 1.00 13.14 ATOM 333 N GLN 22 0.974 -45.489 -7.541 1.00 32.41 ATOM 334 HN GLN 22 0.378 -46.137 -7.106 1.00 37.85 ATOM 335 CA GLN 22 2.231 -45.120 -6.874 1.00 41.21 ATOM 336 HA GLN 22 2.172 -44.072 -6.616 1.00 44.32 ATOM 337 CB GLN 22 2.388 -45.942 -5.584 1.00 44.02 ATOM 338 HB1 GLN 22 1.695 -45.564 -4.845 1.00 37.85 ATOM 339 HB2 GLN 22 3.396 -45.820 -5.211 1.00 41.33 ATOM 340 CG GLN 22 2.121 -47.433 -5.774 1.00 14.21 ATOM 341 HG1 GLN 22 2.778 -47.809 -6.546 1.00 37.85 ATOM 342 HG2 GLN 22 1.095 -47.562 -6.088 1.00 41.10 ATOM 343 CD GLN 22 2.340 -48.246 -4.509 1.00 22.33 ATOM 344 OE1 GLN 22 1.433 -48.427 -3.703 1.00 54.13 ATOM 345 NE2 GLN 22 3.539 -48.762 -4.335 1.00 74.24 ATOM 346 HE21 GLN 22 4.218 -48.597 -5.017 1.00 62.13 ATOM 347 HE22 GLN 22 3.698 -49.301 -3.532 1.00 3.34 ATOM 348 C GLN 22 3.450 -45.335 -7.800 1.00 1.12 ATOM 349 O GLN 22 3.796 -46.469 -8.142 1.00 21.32 ATOM 350 N PHE 23 4.098 -44.239 -8.205 1.00 40.35 ATOM 351 HN PHE 23 3.806 -43.366 -7.879 1.00 37.85 ATOM 352 CA PHE 23 5.232 -44.320 -9.134 1.00 22.42 ATOM 353 HA PHE 23 4.928 -44.993 -9.925 1.00 4.01 ATOM 354 CB PHE 23 5.532 -42.950 -9.777 1.00 25.30 ATOM 355 HB1 PHE 23 4.764 -42.738 -10.509 1.00 37.85 ATOM 356 HB2 PHE 23 6.485 -43.004 -10.285 1.00 60.30 ATOM 357 CG PHE 23 5.593 -41.780 -8.818 1.00 52.41 ATOM 358 CD1 PHE 23 6.744 -41.512 -8.094 1.00 74.53 ATOM 359 HD1 PHE 23 7.601 -42.161 -8.201 1.00 71.24 ATOM 360 CD2 PHE 23 4.501 -40.933 -8.666 1.00 1.33 ATOM 361 HD2 PHE 23 3.595 -41.129 -9.223 1.00 21.21 ATOM 362 CE1 PHE 23 6.806 -40.428 -7.238 1.00 4.34 ATOM 363 HE1 PHE 23 7.710 -40.233 -6.680 1.00 1.43 ATOM 364 CE2 PHE 23 4.558 -39.851 -7.808 1.00 14.50 ATOM 365 HE2 PHE 23 3.701 -39.203 -7.696 1.00 11.31 ATOM 366 CZ PHE 23 5.713 -39.598 -7.094 1.00 51.35 ATOM 367 HZ PHE 23 5.761 -38.751 -6.425 1.00 70.03 ATOM 368 C PHE 23 6.490 -44.925 -8.480 1.00 63.13 ATOM 369 O PHE 23 6.738 -44.765 -7.282 1.00 54.12 ATOM 370 N LYS 24 7.289 -45.601 -9.306 1.00 21.50 ATOM 371 HN LYS 24 7.107 -45.552 -10.270 1.00 37.85 ATOM 372 CA LYS 24 8.417 -46.433 -8.849 1.00 74.51 ATOM 373 HA LYS 24 8.013 -47.206 -8.209 1.00 34.43 ATOM 374 CB LYS 24 9.068 -47.103 -10.069 1.00 42.14 ATOM 375 HB1 LYS 24 9.641 -46.359 -10.605 1.00 37.85 ATOM 376 HB2 LYS 24 8.288 -47.474 -10.719 1.00 21.21 ATOM 377 CG LYS 24 9.999 -48.269 -9.733 1.00 72.22 ATOM 378 HG1 LYS 24 10.700 -47.951 -8.973 1.00 37.85 ATOM 379 HG2 LYS 24 10.541 -48.552 -10.624 1.00 40.31 ATOM 380 CD LYS 24 9.226 -49.483 -9.217 1.00 4.24 ATOM 381 HD1 LYS 24 8.699 -49.209 -8.312 1.00 37.85 ATOM 382 HD2 LYS 24 9.926 -50.279 -8.998 1.00 65.11 ATOM 383 CE LYS 24 8.215 -49.984 -10.246 1.00 63.54 ATOM 384 HE1 LYS 24 8.738 -50.226 -11.161 1.00 37.85 ATOM 385 HE2 LYS 24 7.498 -49.201 -10.441 1.00 22.43 ATOM 386 NZ LYS 24 7.489 -51.190 -9.774 1.00 50.02 ATOM 387 HZ1 LYS 24 8.161 -51.960 -9.582 1.00 52.24 ATOM 388 HZ2 LYS 24 6.817 -51.507 -10.499 1.00 20.54 ATOM 389 HZ3 LYS 24 6.966 -50.976 -8.901 1.00 51.23 ATOM 390 C LYS 24 9.493 -45.651 -8.063 1.00 23.23 ATOM 391 O LYS 24 10.320 -46.254 -7.375 1.00 40.50 ATOM 392 N GLN 25 9.472 -44.320 -8.150 1.00 24.13 ATOM 393 HN GLN 25 8.734 -43.888 -8.627 1.00 37.85 ATOM 394 CA GLN 25 10.527 -43.483 -7.556 1.00 13.51 ATOM 395 HA GLN 25 11.431 -43.660 -8.123 1.00 42.11 ATOM 396 CB GLN 25 10.164 -41.998 -7.682 1.00 45.45 ATOM 397 HB1 GLN 25 9.233 -41.823 -7.157 1.00 37.85 ATOM 398 HB2 GLN 25 10.023 -41.761 -8.727 1.00 41.23 ATOM 399 CG GLN 25 11.217 -41.048 -7.113 1.00 1.33 ATOM 400 HG1 GLN 25 11.342 -41.263 -6.062 1.00 37.85 ATOM 401 HG2 GLN 25 10.863 -40.034 -7.228 1.00 44.13 ATOM 402 CD GLN 25 12.571 -41.171 -7.800 1.00 72.53 ATOM 403 OE1 GLN 25 12.844 -40.500 -8.790 1.00 42.51 ATOM 404 NE2 GLN 25 13.433 -42.023 -7.280 1.00 71.04 ATOM 405 HE21 GLN 25 13.164 -42.532 -6.489 1.00 0.54 ATOM 406 HE22 GLN 25 14.312 -42.102 -7.703 1.00 0.13 ATOM 407 C GLN 25 10.810 -43.835 -6.081 1.00 41.12 ATOM 408 O GLN 25 11.970 -43.944 -5.682 1.00 54.14 ATOM 409 N LEU 26 9.758 -44.024 -5.280 1.00 24.33 ATOM 410 HN LEU 26 8.853 -43.938 -5.649 1.00 37.85 ATOM 411 CA LEU 26 9.928 -44.368 -3.857 1.00 72.55 ATOM 412 HA LEU 26 10.493 -43.570 -3.397 1.00 45.54 ATOM 413 CB LEU 26 8.569 -44.480 -3.154 1.00 65.13 ATOM 414 HB1 LEU 26 8.731 -44.881 -2.163 1.00 37.85 ATOM 415 HB2 LEU 26 7.961 -45.182 -3.709 1.00 71.30 ATOM 416 CG LEU 26 7.779 -43.168 -3.015 1.00 50.22 ATOM 417 HG LEU 26 7.521 -42.807 -4.002 1.00 71.23 ATOM 418 CD1 LEU 26 6.480 -43.410 -2.253 1.00 32.21 ATOM 419 HD11 LEU 26 6.702 -43.760 -1.255 1.00 4.12 ATOM 420 HD12 LEU 26 5.892 -44.154 -2.772 1.00 32.11 ATOM 421 HD13 LEU 26 5.919 -42.489 -2.195 1.00 72.14 ATOM 422 CD2 LEU 26 8.619 -42.092 -2.325 1.00 41.40 ATOM 423 HD21 LEU 26 8.901 -42.430 -1.337 1.00 53.50 ATOM 424 HD22 LEU 26 8.042 -41.182 -2.242 1.00 20.24 ATOM 425 HD23 LEU 26 9.508 -41.898 -2.907 1.00 14.34 ATOM 426 C LEU 26 10.709 -45.679 -3.676 1.00 64.11 ATOM 427 O LEU 26 11.453 -45.847 -2.712 1.00 1.04 ATOM 428 N TYR 27 10.540 -46.601 -4.614 1.00 64.12 ATOM 429 HN TYR 27 9.942 -46.412 -5.366 1.00 37.85 ATOM 430 CA TYR 27 11.233 -47.888 -4.560 1.00 61.52 ATOM 431 HA TYR 27 11.227 -48.220 -3.530 1.00 11.14 ATOM 432 CB TYR 27 10.489 -48.923 -5.411 1.00 12.34 ATOM 433 HB1 TYR 27 11.086 -49.823 -5.480 1.00 37.85 ATOM 434 HB2 TYR 27 10.339 -48.523 -6.405 1.00 54.22 ATOM 435 CG TYR 27 9.131 -49.303 -4.850 1.00 12.32 ATOM 436 CD1 TYR 27 8.979 -50.435 -4.056 1.00 24.10 ATOM 437 HD1 TYR 27 9.842 -51.049 -3.843 1.00 2.20 ATOM 438 CD2 TYR 27 8.004 -48.528 -5.107 1.00 13.44 ATOM 439 HD2 TYR 27 8.103 -47.644 -5.721 1.00 43.44 ATOM 440 CE1 TYR 27 7.746 -50.784 -3.538 1.00 73.51 ATOM 441 HE1 TYR 27 7.649 -51.668 -2.924 1.00 61.24 ATOM 442 CE2 TYR 27 6.769 -48.871 -4.592 1.00 13.53 ATOM 443 HE2 TYR 27 5.906 -48.256 -4.803 1.00 11.22 ATOM 444 CZ TYR 27 6.645 -50.000 -3.809 1.00 43.50 ATOM 445 OH TYR 27 5.415 -50.344 -3.295 1.00 55.10 ATOM 446 HH TYR 27 5.529 -50.723 -2.418 1.00 23.20 ATOM 447 C TYR 27 12.692 -47.763 -5.022 1.00 42.30 ATOM 448 O TYR 27 13.562 -48.487 -4.556 1.00 23.35 ATOM 449 N GLU 28 12.966 -46.826 -5.917 1.00 13.34 ATOM 450 HN GLU 28 12.247 -46.233 -6.223 1.00 37.85 ATOM 451 CA GLU 28 14.319 -46.655 -6.467 1.00 11.25 ATOM 452 HA GLU 28 14.737 -47.641 -6.620 1.00 75.32 ATOM 453 CB GLU 28 14.239 -45.945 -7.826 1.00 2.35 ATOM 454 HB1 GLU 28 15.241 -45.808 -8.208 1.00 37.85 ATOM 455 HB2 GLU 28 13.781 -44.975 -7.687 1.00 4.42 ATOM 456 CG GLU 28 13.432 -46.712 -8.869 1.00 43.50 ATOM 457 HG1 GLU 28 12.428 -46.855 -8.495 1.00 37.85 ATOM 458 HG2 GLU 28 13.894 -47.677 -9.025 1.00 1.13 ATOM 459 CD GLU 28 13.358 -45.986 -10.203 1.00 31.04 ATOM 460 OE1 GLU 28 12.364 -45.268 -10.445 1.00 44.53 ATOM 461 OE2 GLU 28 14.301 -46.121 -11.013 1.00 70.10 ATOM 462 C GLU 28 15.251 -45.875 -5.515 1.00 12.55 ATOM 463 O GLU 28 16.423 -45.665 -5.826 1.00 41.13 ATOM 464 N LEU 29 14.738 -45.475 -4.348 1.00 54.34 ATOM 465 HN LEU 29 13.825 -45.743 -4.115 1.00 37.85 ATOM 466 CA LEU 29 15.496 -44.625 -3.411 1.00 21.51 ATOM 467 HA LEU 29 15.882 -43.787 -3.973 1.00 43.44 ATOM 468 CB LEU 29 14.563 -44.083 -2.315 1.00 20.44 ATOM 469 HB1 LEU 29 15.150 -43.467 -1.646 1.00 37.85 ATOM 470 HB2 LEU 29 14.180 -44.925 -1.754 1.00 1.34 ATOM 471 CG LEU 29 13.368 -43.251 -2.808 1.00 64.03 ATOM 472 HG LEU 29 12.734 -43.882 -3.418 1.00 44.55 ATOM 473 CD1 LEU 29 12.530 -42.758 -1.628 1.00 23.41 ATOM 474 HD11 LEU 29 11.706 -42.162 -1.994 1.00 55.43 ATOM 475 HD12 LEU 29 13.144 -42.158 -0.971 1.00 73.41 ATOM 476 HD13 LEU 29 12.143 -43.606 -1.082 1.00 3.13 ATOM 477 CD2 LEU 29 13.833 -42.081 -3.675 1.00 72.44 ATOM 478 HD21 LEU 29 14.365 -42.459 -4.536 1.00 64.41 ATOM 479 HD22 LEU 29 14.487 -41.440 -3.101 1.00 41.44 ATOM 480 HD23 LEU 29 12.974 -41.514 -4.006 1.00 63.32 ATOM 481 C LEU 29 16.685 -45.351 -2.745 1.00 72.44 ATOM 482 O LEU 29 17.816 -44.864 -2.788 1.00 51.42 ATOM 483 N ASP 30 16.430 -46.507 -2.126 1.00 75.11 ATOM 484 HN ASP 30 15.532 -46.890 -2.186 1.00 37.85 ATOM 485 CA ASP 30 17.458 -47.190 -1.316 1.00 25.43 ATOM 486 HA ASP 30 18.179 -46.447 -1.001 1.00 3.43 ATOM 487 CB ASP 30 16.808 -47.791 -0.066 1.00 75.20 ATOM 488 HB1 ASP 30 17.566 -48.287 0.523 1.00 37.85 ATOM 489 HB2 ASP 30 16.063 -48.517 -0.368 1.00 1.12 ATOM 490 CG ASP 30 16.134 -46.742 0.796 1.00 72.20 ATOM 491 OD1 ASP 30 16.787 -46.230 1.733 1.00 22.10 ATOM 492 OD2 ASP 30 14.962 -46.424 0.533 1.00 25.02 ATOM 493 C ASP 30 18.204 -48.305 -2.071 1.00 72.22 ATOM 494 O ASP 30 19.415 -48.458 -1.915 1.00 52.15 ATOM 495 N GLY 31 17.486 -49.082 -2.883 1.00 10.44 ATOM 496 HN GLY 31 16.562 -48.837 -3.085 1.00 37.85 ATOM 497 CA GLY 31 18.079 -50.277 -3.497 1.00 13.14 ATOM 498 HA1 GLY 31 19.022 -50.006 -3.949 1.00 37.85 ATOM 499 HA2 GLY 31 17.415 -50.636 -4.270 1.00 53.21 ATOM 500 C GLY 31 18.319 -51.412 -2.490 1.00 34.31 ATOM 501 O GLY 31 18.952 -52.419 -2.809 1.00 25.50 ATOM 502 N ASP 32 17.795 -51.243 -1.276 1.00 43.11 ATOM 503 HN ASP 32 17.270 -50.439 -1.106 1.00 37.85 ATOM 504 CA ASP 32 17.981 -52.205 -0.178 1.00 72.11 ATOM 505 HA ASP 32 18.961 -52.649 -0.278 1.00 70.21 ATOM 506 CB ASP 32 17.911 -51.433 1.153 1.00 73.03 ATOM 507 HB1 ASP 32 16.913 -51.031 1.276 1.00 37.85 ATOM 508 HB2 ASP 32 18.613 -50.613 1.116 1.00 62.03 ATOM 509 CG ASP 32 18.242 -52.284 2.368 1.00 24.44 ATOM 510 OD1 ASP 32 17.323 -52.907 2.931 1.00 42.22 ATOM 511 OD2 ASP 32 19.422 -52.331 2.768 1.00 62.20 ATOM 512 C ASP 32 16.910 -53.324 -0.219 1.00 4.55 ATOM 513 O ASP 32 15.790 -53.096 -0.681 1.00 15.30 ATOM 514 N PRO 33 17.239 -54.556 0.229 1.00 3.53 ATOM 515 CA PRO 33 16.251 -55.654 0.342 1.00 43.02 ATOM 516 HA PRO 33 15.872 -55.934 -0.632 1.00 35.34 ATOM 517 CB PRO 33 17.070 -56.824 0.925 1.00 15.13 ATOM 518 HB1 PRO 33 17.310 -57.524 0.138 1.00 37.85 ATOM 519 HB2 PRO 33 16.497 -57.327 1.692 1.00 10.31 ATOM 520 CG PRO 33 18.305 -56.195 1.486 1.00 4.13 ATOM 521 HG1 PRO 33 19.127 -56.897 1.451 1.00 37.85 ATOM 522 HG2 PRO 33 18.126 -55.877 2.505 1.00 61.21 ATOM 523 CD PRO 33 18.591 -55.007 0.613 1.00 52.52 ATOM 524 HD1 PRO 33 19.162 -55.302 -0.256 1.00 37.85 ATOM 525 HD2 PRO 33 19.115 -54.244 1.170 1.00 34.24 ATOM 526 C PRO 33 15.058 -55.309 1.260 1.00 41.20 ATOM 527 O PRO 33 13.905 -55.513 0.895 1.00 14.33 ATOM 528 N LYS 34 15.340 -54.767 2.443 1.00 74.02 ATOM 529 HN LYS 34 16.279 -54.598 2.675 1.00 37.85 ATOM 530 CA LYS 34 14.286 -54.404 3.407 1.00 11.23 ATOM 531 HA LYS 34 13.676 -55.279 3.578 1.00 34.25 ATOM 532 CB LYS 34 14.916 -53.998 4.732 1.00 42.43 ATOM 533 HB1 LYS 34 14.131 -53.759 5.436 1.00 37.85 ATOM 534 HB2 LYS 34 15.532 -53.122 4.577 1.00 21.11 ATOM 535 CG LYS 34 15.775 -55.098 5.327 1.00 3.55 ATOM 536 HG1 LYS 34 16.568 -55.338 4.631 1.00 37.85 ATOM 537 HG2 LYS 34 15.162 -55.975 5.484 1.00 74.34 ATOM 538 CD LYS 34 16.389 -54.689 6.651 1.00 50.43 ATOM 539 HD1 LYS 34 16.967 -55.517 7.024 1.00 37.85 ATOM 540 HD2 LYS 34 15.594 -54.463 7.345 1.00 14.14 ATOM 541 CE LYS 34 17.294 -53.466 6.512 1.00 60.33 ATOM 542 HE1 LYS 34 17.801 -53.302 7.452 1.00 37.85 ATOM 543 HE2 LYS 34 16.683 -52.605 6.282 1.00 64.01 ATOM 544 NZ LYS 34 18.312 -53.633 5.437 1.00 11.54 ATOM 545 HZ1 LYS 34 18.991 -52.844 5.460 1.00 3.33 ATOM 546 HZ2 LYS 34 17.854 -53.644 4.504 1.00 2.35 ATOM 547 HZ3 LYS 34 18.832 -54.524 5.564 1.00 12.11 ATOM 548 C LYS 34 13.407 -53.260 2.878 1.00 34.14 ATOM 549 O LYS 34 12.253 -53.106 3.277 1.00 43.10 ATOM 550 N ARG 35 13.980 -52.465 1.978 1.00 74.11 ATOM 551 HN ARG 35 14.907 -52.655 1.719 1.00 37.85 ATOM 552 CA ARG 35 13.301 -51.311 1.366 1.00 75.55 ATOM 553 HA ARG 35 13.214 -50.545 2.122 1.00 32.41 ATOM 554 CB ARG 35 14.179 -50.776 0.229 1.00 40.33 ATOM 555 HB1 ARG 35 14.664 -51.613 -0.247 1.00 37.85 ATOM 556 HB2 ARG 35 14.938 -50.136 0.653 1.00 32.54 ATOM 557 CG ARG 35 13.441 -49.986 -0.847 1.00 33.11 ATOM 558 HG1 ARG 35 13.265 -48.981 -0.491 1.00 37.85 ATOM 559 HG2 ARG 35 12.496 -50.466 -1.057 1.00 74.41 ATOM 560 CD ARG 35 14.260 -49.923 -2.131 1.00 60.40 ATOM 561 HD1 ARG 35 15.100 -49.259 -1.975 1.00 37.85 ATOM 562 HD2 ARG 35 13.635 -49.531 -2.919 1.00 0.11 ATOM 563 NE ARG 35 14.764 -51.247 -2.530 1.00 35.52 ATOM 564 HE ARG 35 15.058 -51.847 -1.819 1.00 51.54 ATOM 565 CZ ARG 35 14.863 -51.671 -3.766 1.00 0.10 ATOM 566 NH1 ARG 35 14.472 -50.938 -4.754 1.00 13.10 ATOM 567 HH11 ARG 35 14.087 -50.039 -4.586 1.00 55.03 ATOM 568 HH12 ARG 35 14.551 -51.283 -5.691 1.00 51.54 ATOM 569 NH2 ARG 35 15.360 -52.841 -4.009 1.00 71.55 ATOM 570 HH21 ARG 35 15.670 -53.423 -3.257 1.00 21.20 ATOM 571 HH22 ARG 35 15.435 -53.162 -4.953 1.00 53.12 ATOM 572 C ARG 35 11.890 -51.642 0.838 1.00 23.54 ATOM 573 O ARG 35 10.899 -51.091 1.325 1.00 62.35 ATOM 574 N LYS 36 11.790 -52.533 -0.161 1.00 3.31 ATOM 575 HN LYS 36 12.588 -53.009 -0.464 1.00 37.85 ATOM 576 CA LYS 36 10.488 -52.804 -0.795 1.00 23.54 ATOM 577 HA LYS 36 10.094 -51.848 -1.119 1.00 25.04 ATOM 578 CB LYS 36 10.610 -53.725 -2.032 1.00 44.24 ATOM 579 HB1 LYS 36 11.495 -53.442 -2.585 1.00 37.85 ATOM 580 HB2 LYS 36 9.747 -53.564 -2.663 1.00 53.51 ATOM 581 CG LYS 36 10.694 -55.225 -1.729 1.00 63.20 ATOM 582 HG1 LYS 36 10.394 -55.774 -2.612 1.00 37.85 ATOM 583 HG2 LYS 36 10.016 -55.457 -0.922 1.00 41.14 ATOM 584 CD LYS 36 12.096 -55.671 -1.330 1.00 72.35 ATOM 585 HD1 LYS 36 12.039 -56.664 -0.906 1.00 37.85 ATOM 586 HD2 LYS 36 12.483 -54.986 -0.589 1.00 51.21 ATOM 587 CE LYS 36 13.051 -55.698 -2.520 1.00 51.24 ATOM 588 HE1 LYS 36 14.026 -56.013 -2.177 1.00 37.85 ATOM 589 HE2 LYS 36 13.122 -54.703 -2.934 1.00 40.45 ATOM 590 NZ LYS 36 12.588 -56.631 -3.585 1.00 4.42 ATOM 591 HZ1 LYS 36 12.425 -57.580 -3.188 1.00 20.22 ATOM 592 HZ2 LYS 36 13.301 -56.705 -4.338 1.00 11.44 ATOM 593 HZ3 LYS 36 11.699 -56.289 -4.001 1.00 15.33 ATOM 594 C LYS 36 9.501 -53.396 0.220 1.00 40.44 ATOM 595 O LYS 36 8.297 -53.190 0.113 1.00 24.52 ATOM 596 N GLU 37 10.028 -54.117 1.210 1.00 35.13 ATOM 597 HN GLU 37 10.992 -54.289 1.208 1.00 37.85 ATOM 598 CA GLU 37 9.211 -54.663 2.298 1.00 14.13 ATOM 599 HA GLU 37 8.407 -55.235 1.855 1.00 23.14 ATOM 600 CB GLU 37 10.057 -55.590 3.180 1.00 43.54 ATOM 601 HB1 GLU 37 9.457 -55.918 4.017 1.00 37.85 ATOM 602 HB2 GLU 37 10.906 -55.034 3.555 1.00 51.22 ATOM 603 CG GLU 37 10.577 -56.826 2.453 1.00 62.51 ATOM 604 HG1 GLU 37 11.148 -56.506 1.592 1.00 37.85 ATOM 605 HG2 GLU 37 9.733 -57.414 2.122 1.00 54.12 ATOM 606 CD GLU 37 11.458 -57.699 3.330 1.00 1.13 ATOM 607 OE1 GLU 37 10.989 -58.136 4.402 1.00 41.45 ATOM 608 OE2 GLU 37 12.619 -57.966 2.947 1.00 42.20 ATOM 609 C GLU 37 8.611 -53.538 3.153 1.00 4.42 ATOM 610 O GLU 37 7.411 -53.514 3.409 1.00 13.30 ATOM 611 N PHE 38 9.463 -52.605 3.586 1.00 13.45 ATOM 612 HN PHE 38 10.416 -52.705 3.383 1.00 37.85 ATOM 613 CA PHE 38 9.019 -51.439 4.360 1.00 0.44 ATOM 614 HA PHE 38 8.658 -51.791 5.316 1.00 51.21 ATOM 615 CB PHE 38 10.203 -50.484 4.594 1.00 65.41 ATOM 616 HB1 PHE 38 10.602 -50.179 3.636 1.00 37.85 ATOM 617 HB2 PHE 38 10.975 -51.008 5.142 1.00 30.45 ATOM 618 CG PHE 38 9.850 -49.235 5.373 1.00 3.34 ATOM 619 CD1 PHE 38 9.389 -48.095 4.723 1.00 44.32 ATOM 620 HD1 PHE 38 9.276 -48.107 3.647 1.00 1.44 ATOM 621 CD2 PHE 38 9.988 -49.200 6.753 1.00 3.33 ATOM 622 HD2 PHE 38 10.345 -50.075 7.274 1.00 10.23 ATOM 623 CE1 PHE 38 9.070 -46.954 5.434 1.00 64.42 ATOM 624 HE1 PHE 38 8.712 -46.075 4.916 1.00 61.30 ATOM 625 CE2 PHE 38 9.669 -48.060 7.467 1.00 73.34 ATOM 626 HE2 PHE 38 9.779 -48.046 8.542 1.00 50.11 ATOM 627 CZ PHE 38 9.211 -46.937 6.807 1.00 50.31 ATOM 628 HZ PHE 38 8.963 -46.045 7.364 1.00 71.31 ATOM 629 C PHE 38 7.882 -50.699 3.638 1.00 22.31 ATOM 630 O PHE 38 6.834 -50.417 4.223 1.00 2.54 ATOM 631 N LEU 39 8.104 -50.399 2.361 1.00 2.24 ATOM 632 HN LEU 39 8.961 -50.659 1.957 1.00 37.85 ATOM 633 CA LEU 39 7.114 -49.693 1.544 1.00 61.15 ATOM 634 HA LEU 39 6.836 -48.791 2.071 1.00 15.21 ATOM 635 CB LEU 39 7.729 -49.304 0.193 1.00 61.20 ATOM 636 HB1 LEU 39 6.967 -48.819 -0.401 1.00 37.85 ATOM 637 HB2 LEU 39 8.031 -50.210 -0.314 1.00 13.03 ATOM 638 CG LEU 39 8.947 -48.365 0.270 1.00 40.31 ATOM 639 HG LEU 39 9.723 -48.847 0.849 1.00 45.34 ATOM 640 CD1 LEU 39 9.508 -48.098 -1.124 1.00 32.53 ATOM 641 HD11 LEU 39 8.746 -47.639 -1.739 1.00 4.25 ATOM 642 HD12 LEU 39 9.817 -49.031 -1.573 1.00 53.30 ATOM 643 HD13 LEU 39 10.358 -47.436 -1.051 1.00 0.31 ATOM 644 CD2 LEU 39 8.581 -47.055 0.972 1.00 74.43 ATOM 645 HD21 LEU 39 7.798 -46.554 0.420 1.00 34.22 ATOM 646 HD22 LEU 39 9.451 -46.418 1.019 1.00 43.42 ATOM 647 HD23 LEU 39 8.236 -47.266 1.975 1.00 35.24 ATOM 648 C LEU 39 5.850 -50.540 1.322 1.00 73.21 ATOM 649 O LEU 39 4.733 -50.039 1.435 1.00 62.11 ATOM 650 N ASP 40 6.033 -51.824 1.015 1.00 61.14 ATOM 651 HN ASP 40 6.946 -52.173 0.960 1.00 37.85 ATOM 652 CA ASP 40 4.906 -52.732 0.762 1.00 32.20 ATOM 653 HA ASP 40 4.329 -52.321 -0.056 1.00 73.53 ATOM 654 CB ASP 40 5.431 -54.114 0.353 1.00 11.50 ATOM 655 HB1 ASP 40 5.937 -54.564 1.197 1.00 37.85 ATOM 656 HB2 ASP 40 6.135 -54.000 -0.460 1.00 31.14 ATOM 657 CG ASP 40 4.322 -55.045 -0.099 1.00 34.04 ATOM 658 OD1 ASP 40 3.978 -55.024 -1.300 1.00 33.53 ATOM 659 OD2 ASP 40 3.788 -55.799 0.741 1.00 30.33 ATOM 660 C ASP 40 3.998 -52.853 2.000 1.00 34.35 ATOM 661 O ASP 40 2.778 -52.682 1.908 1.00 70.41 ATOM 662 N ASP 41 4.603 -53.145 3.153 1.00 54.04 ATOM 663 HN ASP 41 5.563 -53.347 3.147 1.00 37.85 ATOM 664 CA ASP 41 3.875 -53.187 4.425 1.00 50.43 ATOM 665 HA ASP 41 3.099 -53.935 4.333 1.00 44.41 ATOM 666 CB ASP 41 4.816 -53.587 5.571 1.00 5.51 ATOM 667 HB1 ASP 41 4.376 -53.286 6.512 1.00 37.85 ATOM 668 HB2 ASP 41 5.761 -53.078 5.446 1.00 43.32 ATOM 669 CG ASP 41 5.078 -55.085 5.620 1.00 62.40 ATOM 670 OD1 ASP 41 4.389 -55.784 6.395 1.00 23.22 ATOM 671 OD2 ASP 41 5.966 -55.574 4.890 1.00 74.20 ATOM 672 C ASP 41 3.212 -51.834 4.734 1.00 75.44 ATOM 673 O ASP 41 2.078 -51.786 5.204 1.00 11.44 ATOM 674 N LEU 42 3.927 -50.741 4.461 1.00 11.04 ATOM 675 HN LEU 42 4.841 -50.847 4.118 1.00 37.85 ATOM 676 CA LEU 42 3.394 -49.385 4.666 1.00 32.51 ATOM 677 HA LEU 42 3.172 -49.271 5.719 1.00 43.22 ATOM 678 CB LEU 42 4.452 -48.342 4.264 1.00 43.54 ATOM 679 HB1 LEU 42 4.806 -48.588 3.273 1.00 37.85 ATOM 680 HB2 LEU 42 5.284 -48.426 4.950 1.00 33.33 ATOM 681 CG LEU 42 3.981 -46.875 4.253 1.00 23.34 ATOM 682 HG LEU 42 3.105 -46.793 3.623 1.00 25.41 ATOM 683 CD1 LEU 42 3.584 -46.415 5.653 1.00 43.30 ATOM 684 HD11 LEU 42 4.432 -46.504 6.318 1.00 42.23 ATOM 685 HD12 LEU 42 2.775 -47.029 6.018 1.00 13.34 ATOM 686 HD13 LEU 42 3.263 -45.384 5.617 1.00 54.41 ATOM 687 CD2 LEU 42 5.064 -45.970 3.665 1.00 22.15 ATOM 688 HD21 LEU 42 5.281 -46.281 2.653 1.00 64.33 ATOM 689 HD22 LEU 42 5.960 -46.040 4.263 1.00 21.14 ATOM 690 HD23 LEU 42 4.716 -44.947 3.657 1.00 2.12 ATOM 691 C LEU 42 2.107 -49.153 3.857 1.00 50.45 ATOM 692 O LEU 42 1.045 -48.878 4.423 1.00 34.04 ATOM 693 N PHE 43 2.205 -49.293 2.537 1.00 1.35 ATOM 694 HN PHE 43 3.062 -49.573 2.152 1.00 37.85 ATOM 695 CA PHE 43 1.073 -49.035 1.644 1.00 30.24 ATOM 696 HA PHE 43 0.730 -48.028 1.839 1.00 71.32 ATOM 697 CB PHE 43 1.515 -49.127 0.175 1.00 62.11 ATOM 698 HB1 PHE 43 0.666 -48.922 -0.462 1.00 37.85 ATOM 699 HB2 PHE 43 1.871 -50.128 -0.023 1.00 1.34 ATOM 700 CG PHE 43 2.615 -48.159 -0.194 1.00 3.24 ATOM 701 CD1 PHE 43 2.573 -46.842 0.243 1.00 34.14 ATOM 702 HD1 PHE 43 1.749 -46.514 0.860 1.00 52.01 ATOM 703 CD2 PHE 43 3.682 -48.562 -0.984 1.00 51.24 ATOM 704 HD2 PHE 43 3.728 -49.584 -1.332 1.00 5.44 ATOM 705 CE1 PHE 43 3.572 -45.950 -0.099 1.00 33.11 ATOM 706 HE1 PHE 43 3.525 -44.928 0.248 1.00 11.12 ATOM 707 CE2 PHE 43 4.684 -47.674 -1.328 1.00 14.51 ATOM 708 HE2 PHE 43 5.510 -48.002 -1.943 1.00 53.25 ATOM 709 CZ PHE 43 4.628 -46.366 -0.885 1.00 40.21 ATOM 710 HZ PHE 43 5.409 -45.671 -1.153 1.00 53.25 ATOM 711 C PHE 43 -0.089 -50.003 1.911 1.00 71.30 ATOM 712 O PHE 43 -1.240 -49.588 2.001 1.00 74.22 ATOM 713 N SER 44 0.223 -51.292 2.058 1.00 3.21 ATOM 714 HN SER 44 1.164 -51.563 2.009 1.00 37.85 ATOM 715 CA SER 44 -0.808 -52.319 2.291 1.00 32.24 ATOM 716 HA SER 44 -1.539 -52.233 1.500 1.00 63.14 ATOM 717 CB SER 44 -0.190 -53.726 2.235 1.00 11.24 ATOM 718 HB1 SER 44 -0.965 -54.465 2.388 1.00 37.85 ATOM 719 HB2 SER 44 0.557 -53.823 3.009 1.00 54.14 ATOM 720 OG SER 44 0.425 -53.965 0.975 1.00 4.53 ATOM 721 HG SER 44 1.387 -53.941 1.080 1.00 33.32 ATOM 722 C SER 44 -1.523 -52.113 3.635 1.00 13.23 ATOM 723 O SER 44 -2.748 -52.218 3.718 1.00 64.04 ATOM 724 N PHE 45 -0.755 -51.806 4.682 1.00 4.30 ATOM 725 HN PHE 45 0.218 -51.744 4.556 1.00 37.85 ATOM 726 CA PHE 45 -1.318 -51.555 6.016 1.00 24.22 ATOM 727 HA PHE 45 -1.813 -52.462 6.338 1.00 42.12 ATOM 728 CB PHE 45 -0.192 -51.228 7.013 1.00 44.31 ATOM 729 HB1 PHE 45 0.427 -50.444 6.598 1.00 37.85 ATOM 730 HB2 PHE 45 0.415 -52.111 7.159 1.00 24.11 ATOM 731 CG PHE 45 -0.678 -50.772 8.370 1.00 43.23 ATOM 732 CD1 PHE 45 -1.222 -51.676 9.275 1.00 33.44 ATOM 733 HD1 PHE 45 -1.300 -52.720 9.002 1.00 42.04 ATOM 734 CD2 PHE 45 -0.586 -49.436 8.740 1.00 51.21 ATOM 735 HD2 PHE 45 -0.165 -48.721 8.047 1.00 32.51 ATOM 736 CE1 PHE 45 -1.666 -51.254 10.516 1.00 31.45 ATOM 737 HE1 PHE 45 -2.087 -51.966 11.211 1.00 64.53 ATOM 738 CE2 PHE 45 -1.029 -49.013 9.978 1.00 24.15 ATOM 739 HE2 PHE 45 -0.952 -47.970 10.251 1.00 11.45 ATOM 740 CZ PHE 45 -1.568 -49.920 10.867 1.00 55.02 ATOM 741 HZ PHE 45 -1.911 -49.587 11.836 1.00 42.23 ATOM 742 C PHE 45 -2.350 -50.414 5.989 1.00 24.54 ATOM 743 O PHE 45 -3.508 -50.596 6.379 1.00 21.20 ATOM 744 N MET 46 -1.932 -49.239 5.524 1.00 31.14 ATOM 745 HN MET 46 -1.004 -49.149 5.211 1.00 37.85 ATOM 746 CA MET 46 -2.826 -48.081 5.473 1.00 72.32 ATOM 747 HA MET 46 -3.283 -47.987 6.450 1.00 20.34 ATOM 748 CB MET 46 -2.032 -46.799 5.188 1.00 11.20 ATOM 749 HB1 MET 46 -1.288 -46.672 5.964 1.00 37.85 ATOM 750 HB2 MET 46 -2.709 -45.958 5.219 1.00 1.21 ATOM 751 CG MET 46 -1.319 -46.784 3.843 1.00 53.25 ATOM 752 HG1 MET 46 -2.049 -46.915 3.058 1.00 37.85 ATOM 753 HG2 MET 46 -0.610 -47.598 3.815 1.00 20.12 ATOM 754 SD MET 46 -0.435 -45.241 3.559 1.00 33.11 ATOM 755 CE MET 46 -1.769 -44.058 3.736 1.00 63.23 ATOM 756 HE1 MET 46 -2.528 -44.256 2.994 1.00 3.34 ATOM 757 HE2 MET 46 -1.381 -43.060 3.598 1.00 74.11 ATOM 758 HE3 MET 46 -2.197 -44.142 4.724 1.00 34.54 ATOM 759 C MET 46 -3.951 -48.278 4.439 1.00 14.04 ATOM 760 O MET 46 -5.085 -47.845 4.652 1.00 55.44 ATOM 761 N GLN 47 -3.643 -48.958 3.337 1.00 44.35 ATOM 762 HN GLN 47 -2.719 -49.265 3.207 1.00 37.85 ATOM 763 CA GLN 47 -4.645 -49.255 2.308 1.00 33.24 ATOM 764 HA GLN 47 -5.029 -48.315 1.936 1.00 61.13 ATOM 765 CB GLN 47 -4.001 -50.025 1.148 1.00 34.01 ATOM 766 HB1 GLN 47 -3.601 -50.956 1.527 1.00 37.85 ATOM 767 HB2 GLN 47 -3.188 -49.434 0.750 1.00 33.45 ATOM 768 CG GLN 47 -4.957 -50.346 0.006 1.00 74.40 ATOM 769 HG1 GLN 47 -5.360 -49.420 -0.380 1.00 37.85 ATOM 770 HG2 GLN 47 -5.762 -50.957 0.387 1.00 32.12 ATOM 771 CD GLN 47 -4.280 -51.092 -1.129 1.00 45.04 ATOM 772 OE1 GLN 47 -3.349 -51.861 -0.918 1.00 22.13 ATOM 773 NE2 GLN 47 -4.741 -50.870 -2.342 1.00 12.11 ATOM 774 HE21 GLN 47 -5.487 -50.243 -2.447 1.00 22.35 ATOM 775 HE22 GLN 47 -4.306 -51.330 -3.090 1.00 30.04 ATOM 776 C GLN 47 -5.806 -50.069 2.890 1.00 71.30 ATOM 777 O GLN 47 -6.977 -49.734 2.702 1.00 5.02 ATOM 778 N LYS 48 -5.468 -51.126 3.621 1.00 30.33 ATOM 779 HN LYS 48 -4.515 -51.314 3.772 1.00 37.85 ATOM 780 CA LYS 48 -6.469 -52.024 4.204 1.00 4.31 ATOM 781 HA LYS 48 -7.152 -52.300 3.414 1.00 60.30 ATOM 782 CB LYS 48 -5.791 -53.298 4.721 1.00 14.32 ATOM 783 HB1 LYS 48 -6.517 -53.884 5.270 1.00 37.85 ATOM 784 HB2 LYS 48 -4.987 -53.020 5.389 1.00 74.24 ATOM 785 CG LYS 48 -5.214 -54.169 3.608 1.00 34.24 ATOM 786 HG1 LYS 48 -4.487 -53.590 3.055 1.00 37.85 ATOM 787 HG2 LYS 48 -6.015 -54.467 2.947 1.00 10.33 ATOM 788 CD LYS 48 -4.537 -55.418 4.156 1.00 25.12 ATOM 789 HD1 LYS 48 -5.219 -55.923 4.826 1.00 37.85 ATOM 790 HD2 LYS 48 -3.649 -55.126 4.699 1.00 23.02 ATOM 791 CE LYS 48 -4.138 -56.377 3.040 1.00 20.32 ATOM 792 HE1 LYS 48 -3.606 -57.214 3.472 1.00 37.85 ATOM 793 HE2 LYS 48 -3.488 -55.860 2.348 1.00 54.22 ATOM 794 NZ LYS 48 -5.321 -56.890 2.297 1.00 60.13 ATOM 795 HZ1 LYS 48 -5.023 -57.592 1.591 1.00 3.24 ATOM 796 HZ2 LYS 48 -5.808 -56.111 1.808 1.00 54.14 ATOM 797 HZ3 LYS 48 -5.988 -57.340 2.954 1.00 61.43 ATOM 798 C LYS 48 -7.281 -51.354 5.326 1.00 52.32 ATOM 799 O LYS 48 -8.380 -51.806 5.651 1.00 13.31 ATOM 800 N ARG 49 -6.750 -50.283 5.921 1.00 41.54 ATOM 801 HN ARG 49 -5.848 -49.993 5.672 1.00 37.85 ATOM 802 CA ARG 49 -7.493 -49.544 6.955 1.00 63.31 ATOM 803 HA ARG 49 -8.165 -50.245 7.433 1.00 73.54 ATOM 804 CB ARG 49 -6.545 -48.972 8.025 1.00 32.11 ATOM 805 HB1 ARG 49 -5.827 -49.734 8.293 1.00 37.85 ATOM 806 HB2 ARG 49 -7.126 -48.719 8.901 1.00 65.12 ATOM 807 CG ARG 49 -5.781 -47.727 7.588 1.00 44.03 ATOM 808 HG1 ARG 49 -6.491 -46.969 7.291 1.00 37.85 ATOM 809 HG2 ARG 49 -5.155 -47.980 6.747 1.00 4.24 ATOM 810 CD ARG 49 -4.904 -47.170 8.707 1.00 5.23 ATOM 811 HD1 ARG 49 -4.439 -46.257 8.360 1.00 37.85 ATOM 812 HD2 ARG 49 -4.136 -47.894 8.940 1.00 42.04 ATOM 813 NE ARG 49 -5.671 -46.888 9.920 1.00 35.21 ATOM 814 HE ARG 49 -6.313 -47.565 10.219 1.00 53.41 ATOM 815 CZ ARG 49 -5.542 -45.809 10.647 1.00 45.01 ATOM 816 NH1 ARG 49 -4.754 -44.850 10.278 1.00 41.52 ATOM 817 HH11 ARG 49 -4.243 -44.926 9.431 1.00 41.52 ATOM 818 HH12 ARG 49 -4.660 -44.039 10.851 1.00 33.24 ATOM 819 NH2 ARG 49 -6.230 -45.686 11.734 1.00 53.21 ATOM 820 HH21 ARG 49 -6.857 -46.415 12.009 1.00 54.53 ATOM 821 HH22 ARG 49 -6.135 -44.867 12.299 1.00 0.34 ATOM 822 C ARG 49 -8.345 -48.417 6.336 1.00 53.13 ATOM 823 O ARG 49 -8.971 -47.635 7.054 1.00 11.32 ATOM 824 N GLY 50 -8.357 -48.328 5.004 1.00 33.42 ATOM 825 HN GLY 50 -7.768 -48.910 4.479 1.00 37.85 ATOM 826 CA GLY 50 -9.244 -47.384 4.322 1.00 51.12 ATOM 827 HA1 GLY 50 -9.986 -47.034 5.028 1.00 37.85 ATOM 828 HA2 GLY 50 -9.754 -47.913 3.531 1.00 11.31 ATOM 829 C GLY 50 -8.544 -46.169 3.711 1.00 11.41 ATOM 830 O GLY 50 -9.210 -45.243 3.250 1.00 43.21 ATOM 831 N THR 51 -7.212 -46.155 3.694 1.00 35.35 ATOM 832 HN THR 51 -6.718 -46.891 4.113 1.00 37.85 ATOM 833 CA THR 51 -6.468 -45.048 3.064 1.00 34.31 ATOM 834 HA THR 51 -7.164 -44.523 2.420 1.00 64.33 ATOM 835 CB THR 51 -5.943 -44.023 4.110 1.00 43.34 ATOM 836 HB THR 51 -6.796 -43.527 4.553 1.00 0.31 ATOM 837 OG1 THR 51 -5.126 -43.030 3.473 1.00 62.33 ATOM 838 HG1 THR 51 -5.651 -42.547 2.823 1.00 51.30 ATOM 839 CG2 THR 51 -5.156 -44.701 5.228 1.00 40.44 ATOM 840 HG21 THR 51 -5.791 -45.410 5.740 1.00 25.34 ATOM 841 HG22 THR 51 -4.814 -43.955 5.931 1.00 60.11 ATOM 842 HG23 THR 51 -4.304 -45.217 4.810 1.00 45.01 ATOM 843 C THR 51 -5.308 -45.554 2.185 1.00 13.10 ATOM 844 O THR 51 -4.193 -45.773 2.657 1.00 45.15 ATOM 845 N PRO 52 -5.575 -45.786 0.883 1.00 1.21 ATOM 846 CA PRO 52 -4.546 -46.223 -0.073 1.00 32.14 ATOM 847 HA PRO 52 -3.892 -46.967 0.362 1.00 70.21 ATOM 848 CB PRO 52 -5.384 -46.861 -1.184 1.00 31.35 ATOM 849 HB1 PRO 52 -5.566 -47.901 -0.953 1.00 37.85 ATOM 850 HB2 PRO 52 -4.862 -46.785 -2.129 1.00 31.23 ATOM 851 CG PRO 52 -6.655 -46.075 -1.190 1.00 43.24 ATOM 852 HG1 PRO 52 -7.468 -46.690 -1.549 1.00 37.85 ATOM 853 HG2 PRO 52 -6.543 -45.201 -1.818 1.00 44.33 ATOM 854 CD PRO 52 -6.903 -45.660 0.242 1.00 72.35 ATOM 855 HD1 PRO 52 -7.619 -46.322 0.708 1.00 37.85 ATOM 856 HD2 PRO 52 -7.254 -44.638 0.284 1.00 25.03 ATOM 857 C PRO 52 -3.703 -45.059 -0.627 1.00 1.54 ATOM 858 O PRO 52 -4.159 -43.915 -0.682 1.00 54.22 ATOM 859 N VAL 53 -2.477 -45.357 -1.054 1.00 24.30 ATOM 860 HN VAL 53 -2.167 -46.284 -0.999 1.00 37.85 ATOM 861 CA VAL 53 -1.577 -44.334 -1.600 1.00 72.23 ATOM 862 HA VAL 53 -1.945 -43.365 -1.287 1.00 2.35 ATOM 863 CB VAL 53 -0.134 -44.495 -1.056 1.00 13.02 ATOM 864 HB VAL 53 0.259 -45.440 -1.414 1.00 4.13 ATOM 865 CG1 VAL 53 0.776 -43.379 -1.574 1.00 62.44 ATOM 866 HG11 VAL 53 1.774 -43.511 -1.178 1.00 72.14 ATOM 867 HG12 VAL 53 0.390 -42.420 -1.259 1.00 40.30 ATOM 868 HG13 VAL 53 0.812 -43.413 -2.654 1.00 2.01 ATOM 869 CG2 VAL 53 -0.138 -44.531 0.469 1.00 43.44 ATOM 870 HG21 VAL 53 -0.539 -43.603 0.852 1.00 64.13 ATOM 871 HG22 VAL 53 0.871 -44.663 0.832 1.00 41.02 ATOM 872 HG23 VAL 53 -0.751 -45.354 0.809 1.00 51.13 ATOM 873 C VAL 53 -1.538 -44.375 -3.134 1.00 54.10 ATOM 874 O VAL 53 -0.877 -45.228 -3.729 1.00 34.11 ATOM 875 N ASN 54 -2.267 -43.464 -3.773 1.00 42.30 ATOM 876 HN ASN 54 -2.849 -42.870 -3.255 1.00 37.85 ATOM 877 CA ASN 54 -2.229 -43.337 -5.235 1.00 43.43 ATOM 878 HA ASN 54 -1.846 -44.265 -5.641 1.00 25.44 ATOM 879 CB ASN 54 -3.638 -43.089 -5.796 1.00 43.41 ATOM 880 HB1 ASN 54 -3.582 -43.035 -6.875 1.00 37.85 ATOM 881 HB2 ASN 54 -4.010 -42.151 -5.413 1.00 21.13 ATOM 882 CG ASN 54 -4.628 -44.180 -5.419 1.00 75.34 ATOM 883 OD1 ASN 54 -4.548 -44.776 -4.348 1.00 12.34 ATOM 884 ND2 ASN 54 -5.577 -44.449 -6.289 1.00 15.25 ATOM 885 HD21 ASN 54 -5.596 -43.944 -7.128 1.00 24.21 ATOM 886 HD22 ASN 54 -6.225 -45.149 -6.062 1.00 13.22 ATOM 887 C ASN 54 -1.284 -42.195 -5.643 1.00 42.23 ATOM 888 O ASN 54 -0.279 -42.410 -6.325 1.00 72.05 ATOM 889 N ARG 55 -1.610 -40.975 -5.217 1.00 62.11 ATOM 890 HN ARG 55 -2.456 -40.847 -4.736 1.00 37.85 ATOM 891 CA ARG 55 -0.739 -39.819 -5.446 1.00 11.00 ATOM 892 HA ARG 55 -0.143 -40.029 -6.326 1.00 32.23 ATOM 893 CB ARG 55 -1.569 -38.555 -5.710 1.00 21.31 ATOM 894 HB1 ARG 55 -0.897 -37.715 -5.823 1.00 37.85 ATOM 895 HB2 ARG 55 -2.209 -38.377 -4.857 1.00 61.11 ATOM 896 CG ARG 55 -2.451 -38.635 -6.960 1.00 4.12 ATOM 897 HG1 ARG 55 -3.051 -37.737 -7.015 1.00 37.85 ATOM 898 HG2 ARG 55 -3.099 -39.493 -6.873 1.00 31.11 ATOM 899 CD ARG 55 -1.634 -38.765 -8.252 1.00 53.31 ATOM 900 HD1 ARG 55 -0.902 -37.970 -8.281 1.00 37.85 ATOM 901 HD2 ARG 55 -2.303 -38.663 -9.094 1.00 41.10 ATOM 902 NE ARG 55 -0.943 -40.052 -8.353 1.00 41.43 ATOM 903 HE ARG 55 -1.299 -40.798 -7.832 1.00 54.51 ATOM 904 CZ ARG 55 0.113 -40.273 -9.090 1.00 45.53 ATOM 905 NH1 ARG 55 0.600 -39.346 -9.852 1.00 11.43 ATOM 906 HH11 ARG 55 0.168 -38.451 -9.884 1.00 43.32 ATOM 907 HH12 ARG 55 1.402 -39.535 -10.419 1.00 71.15 ATOM 908 NH2 ARG 55 0.662 -41.440 -9.076 1.00 2.31 ATOM 909 HH21 ARG 55 0.281 -42.163 -8.500 1.00 23.24 ATOM 910 HH22 ARG 55 1.438 -41.631 -9.667 1.00 12.32 ATOM 911 C ARG 55 0.209 -39.603 -4.258 1.00 51.13 ATOM 912 O ARG 55 -0.221 -39.501 -3.107 1.00 24.15 ATOM 913 N ILE 56 1.501 -39.535 -4.555 1.00 1.23 ATOM 914 HN ILE 56 1.768 -39.555 -5.497 1.00 37.85 ATOM 915 CA ILE 56 2.545 -39.422 -3.529 1.00 40.34 ATOM 916 HA ILE 56 2.192 -39.918 -2.635 1.00 63.44 ATOM 917 CB ILE 56 3.830 -40.144 -4.015 1.00 55.43 ATOM 918 HB ILE 56 4.169 -39.651 -4.916 1.00 2.34 ATOM 919 CG1 ILE 56 3.504 -41.613 -4.344 1.00 43.02 ATOM 920 HG11 ILE 56 2.656 -41.644 -5.013 1.00 37.85 ATOM 921 HG12 ILE 56 3.251 -42.135 -3.432 1.00 34.45 ATOM 922 CG2 ILE 56 4.950 -40.050 -2.977 1.00 0.55 ATOM 923 HG21 ILE 56 5.837 -40.538 -3.357 1.00 41.34 ATOM 924 HG22 ILE 56 4.638 -40.535 -2.063 1.00 40.42 ATOM 925 HG23 ILE 56 5.170 -39.011 -2.775 1.00 74.30 ATOM 926 CD1 ILE 56 4.639 -42.367 -5.003 1.00 43.35 ATOM 927 HD11 ILE 56 5.497 -42.370 -4.349 1.00 2.10 ATOM 928 HD12 ILE 56 4.898 -41.886 -5.935 1.00 34.15 ATOM 929 HD13 ILE 56 4.329 -43.383 -5.198 1.00 42.21 ATOM 930 C ILE 56 2.859 -37.946 -3.203 1.00 61.30 ATOM 931 O ILE 56 2.976 -37.122 -4.110 1.00 3.14 ATOM 932 N PRO 57 2.990 -37.595 -1.901 1.00 25.34 ATOM 933 CA PRO 57 3.261 -36.208 -1.461 1.00 0.33 ATOM 934 HA PRO 57 2.401 -35.576 -1.636 1.00 12.40 ATOM 935 CB PRO 57 3.491 -36.341 0.056 1.00 65.35 ATOM 936 HB1 PRO 57 2.624 -35.971 0.585 1.00 37.85 ATOM 937 HB2 PRO 57 4.361 -35.767 0.346 1.00 34.42 ATOM 938 CG PRO 57 3.693 -37.799 0.301 1.00 65.00 ATOM 939 HG1 PRO 57 3.338 -38.062 1.288 1.00 37.85 ATOM 940 HG2 PRO 57 4.742 -38.046 0.202 1.00 60.23 ATOM 941 CD PRO 57 2.887 -38.508 -0.750 1.00 65.14 ATOM 942 HD1 PRO 57 1.859 -38.620 -0.434 1.00 37.85 ATOM 943 HD2 PRO 57 3.321 -39.473 -0.975 1.00 44.35 ATOM 944 C PRO 57 4.491 -35.572 -2.138 1.00 61.43 ATOM 945 O PRO 57 5.500 -36.237 -2.390 1.00 35.41 ATOM 946 N ILE 58 4.402 -34.266 -2.399 1.00 63.12 ATOM 947 HN ILE 58 3.614 -33.776 -2.090 1.00 37.85 ATOM 948 CA ILE 58 5.445 -33.537 -3.133 1.00 72.22 ATOM 949 HA ILE 58 6.245 -34.230 -3.359 1.00 1.11 ATOM 950 CB ILE 58 4.881 -32.997 -4.476 1.00 41.52 ATOM 951 HB ILE 58 4.045 -32.348 -4.250 1.00 73.22 ATOM 952 CG1 ILE 58 4.380 -34.161 -5.350 1.00 30.22 ATOM 953 HG11 ILE 58 4.029 -33.770 -6.295 1.00 37.85 ATOM 954 HG12 ILE 58 3.561 -34.655 -4.847 1.00 50.00 ATOM 955 CG2 ILE 58 5.925 -32.170 -5.226 1.00 21.52 ATOM 956 HG21 ILE 58 6.780 -32.789 -5.454 1.00 52.21 ATOM 957 HG22 ILE 58 6.238 -31.337 -4.612 1.00 10.03 ATOM 958 HG23 ILE 58 5.498 -31.797 -6.145 1.00 22.24 ATOM 959 CD1 ILE 58 5.439 -35.208 -5.644 1.00 70.10 ATOM 960 HD11 ILE 58 6.269 -34.748 -6.160 1.00 62.21 ATOM 961 HD12 ILE 58 5.015 -35.982 -6.266 1.00 25.41 ATOM 962 HD13 ILE 58 5.787 -35.642 -4.718 1.00 71.42 ATOM 963 C ILE 58 6.020 -32.367 -2.312 1.00 30.20 ATOM 964 O ILE 58 5.298 -31.691 -1.577 1.00 3.40 ATOM 965 N MET 59 7.329 -32.146 -2.440 1.00 5.35 ATOM 966 HN MET 59 7.859 -32.760 -2.991 1.00 37.85 ATOM 967 CA MET 59 8.007 -31.022 -1.785 1.00 12.03 ATOM 968 HA MET 59 7.324 -30.185 -1.768 1.00 74.13 ATOM 969 CB MET 59 8.383 -31.391 -0.341 1.00 5.24 ATOM 970 HB1 MET 59 9.034 -32.255 -0.357 1.00 37.85 ATOM 971 HB2 MET 59 7.481 -31.645 0.198 1.00 11.21 ATOM 972 CG MET 59 9.091 -30.270 0.414 1.00 43.13 ATOM 973 HG1 MET 59 10.010 -30.025 -0.102 1.00 37.85 ATOM 974 HG2 MET 59 9.323 -30.613 1.412 1.00 74.12 ATOM 975 SD MET 59 8.086 -28.774 0.534 1.00 25.33 ATOM 976 CE MET 59 6.696 -29.376 1.489 1.00 14.33 ATOM 977 HE1 MET 59 7.047 -29.742 2.443 1.00 12.13 ATOM 978 HE2 MET 59 6.209 -30.177 0.953 1.00 1.54 ATOM 979 HE3 MET 59 5.995 -28.571 1.650 1.00 22.21 ATOM 980 C MET 59 9.266 -30.610 -2.568 1.00 2.55 ATOM 981 O MET 59 10.005 -31.463 -3.058 1.00 20.20 ATOM 982 N ALA 60 9.498 -29.300 -2.689 1.00 64.23 ATOM 983 HN ALA 60 8.851 -28.670 -2.309 1.00 37.85 ATOM 984 CA ALA 60 10.687 -28.771 -3.377 1.00 63.52 ATOM 985 HA ALA 60 10.634 -27.691 -3.334 1.00 4.30 ATOM 986 CB ALA 60 11.957 -29.206 -2.646 1.00 21.31 ATOM 987 HB1 ALA 60 12.816 -28.738 -3.105 1.00 73.14 ATOM 988 HB2 ALA 60 12.060 -30.281 -2.706 1.00 2.41 ATOM 989 HB3 ALA 60 11.896 -28.909 -1.609 1.00 75.02 ATOM 990 C ALA 60 10.734 -29.196 -4.857 1.00 34.11 ATOM 991 O ALA 60 11.798 -29.529 -5.387 1.00 63.12 ATOM 992 N LYS 61 9.567 -29.176 -5.510 1.00 35.01 ATOM 993 HN LYS 61 8.758 -28.921 -5.014 1.00 37.85 ATOM 994 CA LYS 61 9.433 -29.513 -6.940 1.00 61.41 ATOM 995 HA LYS 61 8.420 -29.269 -7.225 1.00 75.34 ATOM 996 CB LYS 61 10.395 -28.670 -7.804 1.00 45.20 ATOM 997 HB1 LYS 61 10.253 -28.937 -8.842 1.00 37.85 ATOM 998 HB2 LYS 61 11.411 -28.908 -7.521 1.00 31.13 ATOM 999 CG LYS 61 10.205 -27.156 -7.667 1.00 52.53 ATOM 1000 HG1 LYS 61 10.923 -26.657 -8.304 1.00 37.85 ATOM 1001 HG2 LYS 61 10.383 -26.874 -6.639 1.00 45.44 ATOM 1002 CD LYS 61 8.799 -26.707 -8.060 1.00 2.01 ATOM 1003 HD1 LYS 61 8.726 -25.636 -7.929 1.00 37.85 ATOM 1004 HD2 LYS 61 8.082 -27.194 -7.415 1.00 41.13 ATOM 1005 CE LYS 61 8.467 -27.050 -9.510 1.00 12.05 ATOM 1006 HE1 LYS 61 7.457 -26.722 -9.721 1.00 37.85 ATOM 1007 HE2 LYS 61 8.528 -28.121 -9.638 1.00 2.23 ATOM 1008 NZ LYS 61 9.396 -26.399 -10.469 1.00 10.22 ATOM 1009 HZ1 LYS 61 9.152 -26.671 -11.442 1.00 34.53 ATOM 1010 HZ2 LYS 61 10.375 -26.688 -10.277 1.00 31.21 ATOM 1011 HZ3 LYS 61 9.330 -25.363 -10.387 1.00 31.33 ATOM 1012 C LYS 61 9.651 -31.014 -7.221 1.00 51.12 ATOM 1013 O LYS 61 9.559 -31.456 -8.372 1.00 3.24 ATOM 1014 N GLN 62 9.908 -31.797 -6.176 1.00 21.14 ATOM 1015 HN GLN 62 9.907 -31.406 -5.276 1.00 37.85 ATOM 1016 CA GLN 62 10.186 -33.232 -6.327 1.00 3.15 ATOM 1017 HA GLN 62 9.949 -33.513 -7.344 1.00 44.33 ATOM 1018 CB GLN 62 11.674 -33.516 -6.069 1.00 71.13 ATOM 1019 HB1 GLN 62 12.260 -32.990 -6.810 1.00 37.85 ATOM 1020 HB2 GLN 62 11.851 -34.578 -6.174 1.00 71.01 ATOM 1021 CG GLN 62 12.154 -33.082 -4.685 1.00 31.14 ATOM 1022 HG1 GLN 62 11.496 -33.507 -3.939 1.00 37.85 ATOM 1023 HG2 GLN 62 12.111 -32.004 -4.624 1.00 24.13 ATOM 1024 CD GLN 62 13.576 -33.525 -4.386 1.00 0.45 ATOM 1025 OE1 GLN 62 14.539 -32.832 -4.708 1.00 60.24 ATOM 1026 NE2 GLN 62 13.722 -34.674 -3.758 1.00 50.23 ATOM 1027 HE21 GLN 62 12.916 -35.179 -3.518 1.00 3.21 ATOM 1028 HE22 GLN 62 14.631 -34.972 -3.548 1.00 1.01 ATOM 1029 C GLN 62 9.333 -34.081 -5.374 1.00 70.01 ATOM 1030 O GLN 62 8.559 -33.559 -4.573 1.00 62.23 ATOM 1031 N VAL 63 9.487 -35.396 -5.475 1.00 21.01 ATOM 1032 HN VAL 63 10.087 -35.749 -6.165 1.00 37.85 ATOM 1033 CA VAL 63 8.785 -36.337 -4.598 1.00 50.11 ATOM 1034 HA VAL 63 7.731 -36.091 -4.622 1.00 31.23 ATOM 1035 CB VAL 63 8.952 -37.794 -5.104 1.00 53.52 ATOM 1036 HB VAL 63 8.592 -37.838 -6.124 1.00 75.23 ATOM 1037 CG1 VAL 63 10.425 -38.201 -5.113 1.00 14.10 ATOM 1038 HG11 VAL 63 10.519 -39.212 -5.482 1.00 65.35 ATOM 1039 HG12 VAL 63 10.821 -38.149 -4.109 1.00 24.25 ATOM 1040 HG13 VAL 63 10.982 -37.532 -5.754 1.00 43.43 ATOM 1041 CG2 VAL 63 8.121 -38.768 -4.268 1.00 64.00 ATOM 1042 HG21 VAL 63 8.464 -38.749 -3.244 1.00 72.32 ATOM 1043 HG22 VAL 63 8.228 -39.767 -4.665 1.00 75.00 ATOM 1044 HG23 VAL 63 7.081 -38.477 -4.305 1.00 70.22 ATOM 1045 C VAL 63 9.287 -36.243 -3.145 1.00 15.40 ATOM 1046 O VAL 63 10.464 -35.968 -2.896 1.00 15.14 ATOM 1047 N LEU 64 8.382 -36.456 -2.191 1.00 14.11 ATOM 1048 HN LEU 64 7.445 -36.596 -2.446 1.00 37.85 ATOM 1049 CA LEU 64 8.744 -36.484 -0.773 1.00 13.32 ATOM 1050 HA LEU 64 9.593 -35.829 -0.633 1.00 14.32 ATOM 1051 CB LEU 64 7.573 -35.971 0.081 1.00 63.41 ATOM 1052 HB1 LEU 64 6.734 -36.636 -0.061 1.00 37.85 ATOM 1053 HB2 LEU 64 7.295 -34.990 -0.282 1.00 3.53 ATOM 1054 CG LEU 64 7.852 -35.865 1.590 1.00 15.21 ATOM 1055 HG LEU 64 8.122 -36.842 1.967 1.00 3.25 ATOM 1056 CD1 LEU 64 9.022 -34.924 1.859 1.00 73.01 ATOM 1057 HD11 LEU 64 8.790 -33.937 1.486 1.00 33.24 ATOM 1058 HD12 LEU 64 9.907 -35.296 1.362 1.00 62.14 ATOM 1059 HD13 LEU 64 9.205 -34.872 2.923 1.00 13.23 ATOM 1060 CD2 LEU 64 6.599 -35.404 2.335 1.00 22.35 ATOM 1061 HD21 LEU 64 6.830 -35.275 3.383 1.00 33.44 ATOM 1062 HD22 LEU 64 5.824 -36.149 2.229 1.00 64.21 ATOM 1063 HD23 LEU 64 6.255 -34.466 1.924 1.00 5.11 ATOM 1064 C LEU 64 9.138 -37.908 -0.345 1.00 51.54 ATOM 1065 O LEU 64 8.294 -38.808 -0.287 1.00 71.32 ATOM 1066 N ASP 65 10.426 -38.111 -0.071 1.00 13.54 ATOM 1067 HN ASP 65 11.054 -37.360 -0.157 1.00 37.85 ATOM 1068 CA ASP 65 10.943 -39.425 0.329 1.00 45.40 ATOM 1069 HA ASP 65 10.750 -40.116 -0.479 1.00 22.42 ATOM 1070 CB ASP 65 12.455 -39.343 0.560 1.00 61.44 ATOM 1071 HB1 ASP 65 12.837 -40.335 0.761 1.00 37.85 ATOM 1072 HB2 ASP 65 12.648 -38.712 1.417 1.00 11.52 ATOM 1073 CG ASP 65 13.195 -38.773 -0.635 1.00 30.20 ATOM 1074 OD1 ASP 65 13.353 -37.537 -0.706 1.00 31.20 ATOM 1075 OD2 ASP 65 13.630 -39.557 -1.502 1.00 1.42 ATOM 1076 C ASP 65 10.253 -39.948 1.604 1.00 72.42 ATOM 1077 O ASP 65 10.700 -39.671 2.715 1.00 30.15 ATOM 1078 N LEU 66 9.161 -40.698 1.438 1.00 74.53 ATOM 1079 HN LEU 66 8.834 -40.859 0.529 1.00 37.85 ATOM 1080 CA LEU 66 8.413 -41.257 2.578 1.00 70.01 ATOM 1081 HA LEU 66 8.033 -40.425 3.153 1.00 43.32 ATOM 1082 CB LEU 66 7.220 -42.091 2.084 1.00 54.54 ATOM 1083 HB1 LEU 66 6.786 -42.603 2.932 1.00 37.85 ATOM 1084 HB2 LEU 66 7.592 -42.834 1.390 1.00 73.34 ATOM 1085 CG LEU 66 6.106 -41.294 1.383 1.00 72.54 ATOM 1086 HG LEU 66 6.513 -40.823 0.500 1.00 53.51 ATOM 1087 CD1 LEU 66 4.979 -42.223 0.937 1.00 51.42 ATOM 1088 HD11 LEU 66 4.547 -42.711 1.800 1.00 71.03 ATOM 1089 HD12 LEU 66 5.373 -42.970 0.263 1.00 45.15 ATOM 1090 HD13 LEU 66 4.216 -41.650 0.428 1.00 64.14 ATOM 1091 CD2 LEU 66 5.570 -40.193 2.300 1.00 62.21 ATOM 1092 HD21 LEU 66 5.183 -40.632 3.209 1.00 73.14 ATOM 1093 HD22 LEU 66 4.780 -39.657 1.796 1.00 30.43 ATOM 1094 HD23 LEU 66 6.368 -39.506 2.545 1.00 2.04 ATOM 1095 C LEU 66 9.303 -42.110 3.500 1.00 40.31 ATOM 1096 O LEU 66 9.252 -41.974 4.724 1.00 41.43 ATOM 1097 N PHE 67 10.117 -42.984 2.909 1.00 33.34 ATOM 1098 HN PHE 67 10.101 -43.060 1.932 1.00 37.85 ATOM 1099 CA PHE 67 11.032 -43.841 3.677 1.00 14.10 ATOM 1100 HA PHE 67 10.435 -44.504 4.289 1.00 60.03 ATOM 1101 CB PHE 67 11.886 -44.681 2.709 1.00 4.04 ATOM 1102 HB1 PHE 67 12.501 -44.016 2.117 1.00 37.85 ATOM 1103 HB2 PHE 67 11.229 -45.228 2.048 1.00 53.01 ATOM 1104 CG PHE 67 12.799 -45.680 3.388 1.00 43.44 ATOM 1105 CD1 PHE 67 12.399 -46.998 3.565 1.00 54.23 ATOM 1106 HD1 PHE 67 11.427 -47.309 3.211 1.00 43.42 ATOM 1107 CD2 PHE 67 14.055 -45.302 3.850 1.00 3.13 ATOM 1108 HD2 PHE 67 14.382 -44.280 3.720 1.00 34.24 ATOM 1109 CE1 PHE 67 13.227 -47.914 4.188 1.00 2.12 ATOM 1110 HE1 PHE 67 12.901 -48.936 4.318 1.00 63.24 ATOM 1111 CE2 PHE 67 14.886 -46.215 4.474 1.00 43.21 ATOM 1112 HE2 PHE 67 15.859 -45.907 4.829 1.00 32.31 ATOM 1113 CZ PHE 67 14.472 -47.522 4.642 1.00 41.20 ATOM 1114 HZ PHE 67 15.119 -48.237 5.129 1.00 61.45 ATOM 1115 C PHE 67 11.944 -43.000 4.590 1.00 12.20 ATOM 1116 O PHE 67 12.048 -43.243 5.797 1.00 31.03 ATOM 1117 N MET 68 12.580 -41.988 4.004 1.00 4.14 ATOM 1118 HN MET 68 12.419 -41.816 3.055 1.00 37.85 ATOM 1119 CA MET 68 13.504 -41.120 4.739 1.00 24.52 ATOM 1120 HA MET 68 14.185 -41.755 5.291 1.00 43.41 ATOM 1121 CB MET 68 14.314 -40.262 3.758 1.00 71.40 ATOM 1122 HB1 MET 68 15.034 -39.677 4.314 1.00 37.85 ATOM 1123 HB2 MET 68 13.640 -39.588 3.245 1.00 35.30 ATOM 1124 CG MET 68 15.066 -41.073 2.710 1.00 62.45 ATOM 1125 HG1 MET 68 15.592 -40.394 2.054 1.00 37.85 ATOM 1126 HG2 MET 68 14.350 -41.641 2.136 1.00 64.13 ATOM 1127 SD MET 68 16.260 -42.218 3.432 1.00 73.23 ATOM 1128 CE MET 68 17.365 -41.075 4.260 1.00 51.12 ATOM 1129 HE1 MET 68 17.787 -40.392 3.538 1.00 44.22 ATOM 1130 HE2 MET 68 18.160 -41.627 4.741 1.00 2.43 ATOM 1131 HE3 MET 68 16.814 -40.517 5.003 1.00 23.53 ATOM 1132 C MET 68 12.753 -40.221 5.734 1.00 51.11 ATOM 1133 O MET 68 13.209 -40.014 6.856 1.00 14.33 ATOM 1134 N LEU 69 11.599 -39.698 5.313 1.00 75.25 ATOM 1135 HN LEU 69 11.301 -39.887 4.402 1.00 37.85 ATOM 1136 CA LEU 69 10.761 -38.849 6.170 1.00 74.21 ATOM 1137 HA LEU 69 11.318 -37.951 6.396 1.00 52.53 ATOM 1138 CB LEU 69 9.465 -38.468 5.433 1.00 42.22 ATOM 1139 HB1 LEU 69 8.879 -39.366 5.291 1.00 37.85 ATOM 1140 HB2 LEU 69 9.734 -38.080 4.458 1.00 54.11 ATOM 1141 CG LEU 69 8.584 -37.424 6.139 1.00 3.30 ATOM 1142 HG LEU 69 8.402 -37.744 7.157 1.00 13.53 ATOM 1143 CD1 LEU 69 9.299 -36.078 6.198 1.00 65.33 ATOM 1144 HD11 LEU 69 8.680 -35.358 6.715 1.00 74.23 ATOM 1145 HD12 LEU 69 9.495 -35.728 5.194 1.00 52.20 ATOM 1146 HD13 LEU 69 10.234 -36.192 6.726 1.00 13.42 ATOM 1147 CD2 LEU 69 7.232 -37.294 5.439 1.00 24.04 ATOM 1148 HD21 LEU 69 6.740 -38.256 5.424 1.00 52.14 ATOM 1149 HD22 LEU 69 7.379 -36.950 4.425 1.00 14.45 ATOM 1150 HD23 LEU 69 6.616 -36.585 5.974 1.00 11.25 ATOM 1151 C LEU 69 10.424 -39.572 7.480 1.00 31.41 ATOM 1152 O LEU 69 10.536 -39.004 8.568 1.00 71.21 ATOM 1153 N TYR 70 10.019 -40.836 7.359 1.00 11.33 ATOM 1154 HN TYR 70 9.885 -41.207 6.461 1.00 37.85 ATOM 1155 CA TYR 70 9.763 -41.687 8.523 1.00 51.22 ATOM 1156 HA TYR 70 8.926 -41.266 9.062 1.00 34.03 ATOM 1157 CB TYR 70 9.398 -43.109 8.064 1.00 53.41 ATOM 1158 HB1 TYR 70 10.189 -43.487 7.429 1.00 37.85 ATOM 1159 HB2 TYR 70 8.482 -43.067 7.493 1.00 1.44 ATOM 1160 CG TYR 70 9.193 -44.102 9.199 1.00 44.53 ATOM 1161 CD1 TYR 70 7.979 -44.179 9.875 1.00 42.14 ATOM 1162 HD1 TYR 70 7.177 -43.513 9.593 1.00 15.43 ATOM 1163 CD2 TYR 70 10.211 -44.971 9.585 1.00 34.53 ATOM 1164 HD2 TYR 70 11.162 -44.924 9.073 1.00 54.54 ATOM 1165 CE1 TYR 70 7.788 -45.090 10.899 1.00 34.33 ATOM 1166 HE1 TYR 70 6.839 -45.132 11.412 1.00 24.31 ATOM 1167 CE2 TYR 70 10.026 -45.881 10.608 1.00 74.12 ATOM 1168 HE2 TYR 70 10.830 -46.543 10.892 1.00 1.04 ATOM 1169 CZ TYR 70 8.814 -45.937 11.262 1.00 21.11 ATOM 1170 OH TYR 70 8.625 -46.849 12.278 1.00 64.13 ATOM 1171 HH TYR 70 7.766 -47.270 12.170 1.00 25.25 ATOM 1172 C TYR 70 10.985 -41.728 9.454 1.00 50.31 ATOM 1173 O TYR 70 10.866 -41.534 10.664 1.00 61.03 ATOM 1174 N VAL 71 12.161 -41.978 8.882 1.00 33.23 ATOM 1175 HN VAL 71 12.194 -42.149 7.913 1.00 37.85 ATOM 1176 CA VAL 71 13.408 -42.016 9.660 1.00 44.41 ATOM 1177 HA VAL 71 13.314 -42.812 10.388 1.00 31.15 ATOM 1178 CB VAL 71 14.624 -42.336 8.754 1.00 74.30 ATOM 1179 HB VAL 71 14.703 -41.553 8.011 1.00 44.15 ATOM 1180 CG1 VAL 71 15.925 -42.353 9.561 1.00 74.55 ATOM 1181 HG11 VAL 71 16.755 -42.570 8.904 1.00 61.20 ATOM 1182 HG12 VAL 71 15.866 -43.112 10.328 1.00 52.31 ATOM 1183 HG13 VAL 71 16.077 -41.387 10.023 1.00 31.34 ATOM 1184 CG2 VAL 71 14.416 -43.662 8.022 1.00 25.14 ATOM 1185 HG21 VAL 71 13.502 -43.618 7.447 1.00 63.04 ATOM 1186 HG22 VAL 71 14.348 -44.467 8.740 1.00 51.02 ATOM 1187 HG23 VAL 71 15.249 -43.844 7.357 1.00 31.15 ATOM 1188 C VAL 71 13.667 -40.690 10.408 1.00 55.22 ATOM 1189 O VAL 71 13.809 -40.676 11.632 1.00 3.12 ATOM 1190 N LEU 72 13.704 -39.582 9.664 1.00 51.33 ATOM 1191 HN LEU 72 13.519 -39.654 8.703 1.00 37.85 ATOM 1192 CA LEU 72 14.012 -38.257 10.234 1.00 23.33 ATOM 1193 HA LEU 72 15.008 -38.312 10.646 1.00 62.34 ATOM 1194 CB LEU 72 14.002 -37.177 9.132 1.00 4.53 ATOM 1195 HB1 LEU 72 13.808 -36.220 9.598 1.00 37.85 ATOM 1196 HB2 LEU 72 13.185 -37.393 8.456 1.00 34.23 ATOM 1197 CG LEU 72 15.295 -37.045 8.296 1.00 55.15 ATOM 1198 HG LEU 72 15.155 -36.263 7.561 1.00 31.30 ATOM 1199 CD1 LEU 72 16.473 -36.639 9.177 1.00 52.24 ATOM 1200 HD11 LEU 72 16.254 -35.700 9.664 1.00 52.33 ATOM 1201 HD12 LEU 72 17.358 -36.527 8.566 1.00 50.43 ATOM 1202 HD13 LEU 72 16.648 -37.401 9.925 1.00 12.54 ATOM 1203 CD2 LEU 72 15.609 -38.337 7.545 1.00 32.11 ATOM 1204 HD21 LEU 72 14.793 -38.572 6.877 1.00 54.31 ATOM 1205 HD22 LEU 72 15.739 -39.145 8.251 1.00 25.44 ATOM 1206 HD23 LEU 72 16.517 -38.211 6.973 1.00 15.12 ATOM 1207 C LEU 72 13.046 -37.858 11.367 1.00 70.34 ATOM 1208 O LEU 72 13.453 -37.227 12.344 1.00 31.24 ATOM 1209 N VAL 73 11.773 -38.214 11.233 1.00 2.34 ATOM 1210 HN VAL 73 11.497 -38.711 10.432 1.00 37.85 ATOM 1211 CA VAL 73 10.770 -37.873 12.249 1.00 44.55 ATOM 1212 HA VAL 73 10.964 -36.858 12.573 1.00 73.53 ATOM 1213 CB VAL 73 9.340 -37.918 11.653 1.00 53.04 ATOM 1214 HB VAL 73 9.167 -38.913 11.265 1.00 14.44 ATOM 1215 CG1 VAL 73 8.285 -37.636 12.723 1.00 12.31 ATOM 1216 HG11 VAL 73 8.467 -36.667 13.166 1.00 33.33 ATOM 1217 HG12 VAL 73 8.335 -38.395 13.490 1.00 53.43 ATOM 1218 HG13 VAL 73 7.302 -37.646 12.273 1.00 23.25 ATOM 1219 CG2 VAL 73 9.213 -36.928 10.494 1.00 71.34 ATOM 1220 HG21 VAL 73 8.218 -36.986 10.077 1.00 21.35 ATOM 1221 HG22 VAL 73 9.936 -37.172 9.729 1.00 71.10 ATOM 1222 HG23 VAL 73 9.395 -35.925 10.852 1.00 14.34 ATOM 1223 C VAL 73 10.851 -38.802 13.478 1.00 72.15 ATOM 1224 O VAL 73 10.835 -38.340 14.626 1.00 25.43 ATOM 1225 N THR 74 10.946 -40.111 13.241 1.00 73.42 ATOM 1226 HN THR 74 10.988 -40.427 12.313 1.00 37.85 ATOM 1227 CA THR 74 10.987 -41.091 14.342 1.00 12.51 ATOM 1228 HA THR 74 10.135 -40.891 14.982 1.00 70.42 ATOM 1229 CB THR 74 10.867 -42.552 13.839 1.00 50.20 ATOM 1230 HB THR 74 10.922 -43.215 14.692 1.00 3.12 ATOM 1231 OG1 THR 74 11.940 -42.868 12.942 1.00 54.52 ATOM 1232 HG1 THR 74 11.771 -42.465 12.083 1.00 3.44 ATOM 1233 CG2 THR 74 9.530 -42.781 13.140 1.00 74.12 ATOM 1234 HG21 THR 74 9.457 -43.815 12.831 1.00 53.15 ATOM 1235 HG22 THR 74 9.463 -42.143 12.272 1.00 64.44 ATOM 1236 HG23 THR 74 8.722 -42.550 13.819 1.00 11.23 ATOM 1237 C THR 74 12.263 -40.963 15.189 1.00 63.02 ATOM 1238 O THR 74 12.223 -41.149 16.408 1.00 33.32 ATOM 1239 N GLU 75 13.392 -40.638 14.553 1.00 60.21 ATOM 1240 HN GLU 75 13.377 -40.530 13.577 1.00 37.85 ATOM 1241 CA GLU 75 14.664 -40.463 15.278 1.00 71.11 ATOM 1242 HA GLU 75 14.844 -41.367 15.843 1.00 70.21 ATOM 1243 CB GLU 75 15.831 -40.248 14.302 1.00 54.43 ATOM 1244 HB1 GLU 75 15.824 -41.043 13.569 1.00 37.85 ATOM 1245 HB2 GLU 75 16.759 -40.293 14.855 1.00 60.23 ATOM 1246 CG GLU 75 15.780 -38.912 13.562 1.00 44.13 ATOM 1247 HG1 GLU 75 15.498 -38.139 14.264 1.00 37.85 ATOM 1248 HG2 GLU 75 15.030 -38.976 12.788 1.00 32.11 ATOM 1249 CD GLU 75 17.101 -38.517 12.917 1.00 55.14 ATOM 1250 OE1 GLU 75 17.147 -37.446 12.277 1.00 33.14 ATOM 1251 OE2 GLU 75 18.104 -39.241 13.088 1.00 53.25 ATOM 1252 C GLU 75 14.601 -39.275 16.256 1.00 63.21 ATOM 1253 O GLU 75 15.380 -39.197 17.210 1.00 64.22 ATOM 1254 N LYS 76 13.686 -38.343 15.993 1.00 4.21 ATOM 1255 HN LYS 76 13.118 -38.452 15.202 1.00 37.85 ATOM 1256 CA LYS 76 13.506 -37.159 16.841 1.00 32.31 ATOM 1257 HA LYS 76 14.470 -36.907 17.265 1.00 62.45 ATOM 1258 CB LYS 76 13.018 -35.977 15.988 1.00 52.43 ATOM 1259 HB1 LYS 76 12.771 -35.151 16.641 1.00 37.85 ATOM 1260 HB2 LYS 76 12.126 -36.277 15.454 1.00 74.12 ATOM 1261 CG LYS 76 14.044 -35.489 14.966 1.00 4.04 ATOM 1262 HG1 LYS 76 13.580 -34.748 14.329 1.00 37.85 ATOM 1263 HG2 LYS 76 14.367 -36.328 14.366 1.00 61.22 ATOM 1264 CD LYS 76 15.262 -34.868 15.647 1.00 2.43 ATOM 1265 HD1 LYS 76 15.711 -35.606 16.297 1.00 37.85 ATOM 1266 HD2 LYS 76 14.941 -34.024 16.236 1.00 34.42 ATOM 1267 CE LYS 76 16.310 -34.394 14.644 1.00 71.13 ATOM 1268 HE1 LYS 76 17.020 -33.760 15.156 1.00 37.85 ATOM 1269 HE2 LYS 76 15.819 -33.824 13.868 1.00 60.05 ATOM 1270 NZ LYS 76 17.041 -35.525 14.017 1.00 52.44 ATOM 1271 HZ1 LYS 76 16.396 -36.100 13.438 1.00 14.43 ATOM 1272 HZ2 LYS 76 17.460 -36.132 14.749 1.00 31.35 ATOM 1273 HZ3 LYS 76 17.804 -35.164 13.408 1.00 33.41 ATOM 1274 C LYS 76 12.525 -37.431 17.991 1.00 35.13 ATOM 1275 O LYS 76 12.514 -36.715 18.993 1.00 23.22 ATOM 1276 N GLY 77 11.702 -38.472 17.846 1.00 54.22 ATOM 1277 HN GLY 77 11.743 -39.004 17.024 1.00 37.85 ATOM 1278 CA GLY 77 10.763 -38.837 18.906 1.00 61.02 ATOM 1279 HA1 GLY 77 10.789 -38.073 19.672 1.00 37.85 ATOM 1280 HA2 GLY 77 11.088 -39.769 19.344 1.00 71.21 ATOM 1281 C GLY 77 9.316 -39.002 18.438 1.00 2.45 ATOM 1282 O GLY 77 8.424 -39.217 19.259 1.00 74.14 ATOM 1283 N GLY 78 9.073 -38.882 17.132 1.00 54.44 ATOM 1284 HN GLY 78 9.808 -38.652 16.525 1.00 37.85 ATOM 1285 CA GLY 78 7.722 -39.074 16.594 1.00 71.20 ATOM 1286 HA1 GLY 78 7.092 -39.499 17.363 1.00 37.85 ATOM 1287 HA2 GLY 78 7.777 -39.770 15.770 1.00 71.15 ATOM 1288 C GLY 78 7.078 -37.781 16.096 1.00 22.42 ATOM 1289 O GLY 78 7.588 -36.688 16.349 1.00 5.44 ATOM 1290 N LEU 79 5.944 -37.907 15.398 1.00 62.24 ATOM 1291 HN LEU 79 5.551 -38.805 15.287 1.00 37.85 ATOM 1292 CA LEU 79 5.261 -36.747 14.795 1.00 21.11 ATOM 1293 HA LEU 79 5.931 -36.325 14.058 1.00 51.20 ATOM 1294 CB LEU 79 3.971 -37.197 14.086 1.00 32.21 ATOM 1295 HB1 LEU 79 3.333 -37.673 14.817 1.00 37.85 ATOM 1296 HB2 LEU 79 4.237 -37.932 13.336 1.00 1.21 ATOM 1297 CG LEU 79 3.166 -36.074 13.401 1.00 45.23 ATOM 1298 HG LEU 79 2.887 -35.339 14.143 1.00 44.31 ATOM 1299 CD1 LEU 79 4.005 -35.366 12.339 1.00 32.22 ATOM 1300 HD11 LEU 79 4.871 -34.918 12.803 1.00 52.53 ATOM 1301 HD12 LEU 79 3.412 -34.594 11.866 1.00 24.15 ATOM 1302 HD13 LEU 79 4.324 -36.080 11.593 1.00 24.45 ATOM 1303 CD2 LEU 79 1.882 -36.625 12.783 1.00 54.55 ATOM 1304 HD21 LEU 79 1.350 -35.827 12.285 1.00 62.43 ATOM 1305 HD22 LEU 79 1.256 -37.041 13.559 1.00 11.11 ATOM 1306 HD23 LEU 79 2.126 -37.398 12.065 1.00 25.20 ATOM 1307 C LEU 79 4.937 -35.664 15.837 1.00 12.14 ATOM 1308 O LEU 79 5.303 -34.497 15.670 1.00 14.11 ATOM 1309 N VAL 80 4.261 -36.058 16.914 1.00 0.03 ATOM 1310 HN VAL 80 4.012 -37.004 16.999 1.00 37.85 ATOM 1311 CA VAL 80 3.883 -35.123 17.982 1.00 75.11 ATOM 1312 HA VAL 80 3.220 -34.382 17.555 1.00 4.51 ATOM 1313 CB VAL 80 3.120 -35.858 19.111 1.00 53.33 ATOM 1314 HB VAL 80 3.754 -36.649 19.489 1.00 2.33 ATOM 1315 CG1 VAL 80 2.795 -34.918 20.268 1.00 53.42 ATOM 1316 HG11 VAL 80 2.266 -35.465 21.035 1.00 33.32 ATOM 1317 HG12 VAL 80 2.175 -34.107 19.913 1.00 51.21 ATOM 1318 HG13 VAL 80 3.710 -34.518 20.679 1.00 51.21 ATOM 1319 CG2 VAL 80 1.848 -36.494 18.560 1.00 62.13 ATOM 1320 HG21 VAL 80 1.203 -35.724 18.161 1.00 24.04 ATOM 1321 HG22 VAL 80 1.333 -37.019 19.352 1.00 60.30 ATOM 1322 HG23 VAL 80 2.104 -37.192 17.775 1.00 22.13 ATOM 1323 C VAL 80 5.112 -34.408 18.569 1.00 34.24 ATOM 1324 O VAL 80 5.101 -33.192 18.771 1.00 0.04 ATOM 1325 N GLU 81 6.173 -35.171 18.817 1.00 52.15 ATOM 1326 HN GLU 81 6.117 -36.132 18.633 1.00 37.85 ATOM 1327 CA GLU 81 7.422 -34.622 19.356 1.00 14.12 ATOM 1328 HA GLU 81 7.209 -34.202 20.329 1.00 12.44 ATOM 1329 CB GLU 81 8.458 -35.745 19.511 1.00 3.02 ATOM 1330 HB1 GLU 81 8.680 -36.151 18.534 1.00 37.85 ATOM 1331 HB2 GLU 81 8.032 -36.527 20.124 1.00 22.10 ATOM 1332 CG GLU 81 9.770 -35.299 20.151 1.00 50.14 ATOM 1333 HG1 GLU 81 10.127 -34.418 19.634 1.00 37.85 ATOM 1334 HG2 GLU 81 10.497 -36.091 20.041 1.00 74.43 ATOM 1335 CD GLU 81 9.627 -34.971 21.629 1.00 53.25 ATOM 1336 OE1 GLU 81 9.240 -33.832 21.962 1.00 11.44 ATOM 1337 OE2 GLU 81 9.905 -35.858 22.464 1.00 3.14 ATOM 1338 C GLU 81 7.988 -33.518 18.445 1.00 51.50 ATOM 1339 O GLU 81 8.243 -32.395 18.887 1.00 23.54 ATOM 1340 N VAL 82 8.166 -33.844 17.165 1.00 72.10 ATOM 1341 HN VAL 82 7.920 -34.748 16.868 1.00 37.85 ATOM 1342 CA VAL 82 8.712 -32.896 16.187 1.00 23.05 ATOM 1343 HA VAL 82 9.706 -32.622 16.514 1.00 11.10 ATOM 1344 CB VAL 82 8.828 -33.551 14.785 1.00 51.01 ATOM 1345 HB VAL 82 7.832 -33.809 14.449 1.00 62.54 ATOM 1346 CG1 VAL 82 9.435 -32.583 13.772 1.00 71.34 ATOM 1347 HG11 VAL 82 9.472 -33.054 12.800 1.00 51.14 ATOM 1348 HG12 VAL 82 10.436 -32.319 14.080 1.00 32.51 ATOM 1349 HG13 VAL 82 8.829 -31.690 13.715 1.00 63.11 ATOM 1350 CG2 VAL 82 9.653 -34.834 14.859 1.00 54.24 ATOM 1351 HG21 VAL 82 9.186 -35.525 15.546 1.00 33.25 ATOM 1352 HG22 VAL 82 10.651 -34.604 15.202 1.00 43.34 ATOM 1353 HG23 VAL 82 9.706 -35.286 13.879 1.00 54.25 ATOM 1354 C VAL 82 7.855 -31.620 16.097 1.00 51.50 ATOM 1355 O VAL 82 8.380 -30.509 15.957 1.00 51.34 ATOM 1356 N ILE 83 6.534 -31.784 16.191 1.00 55.32 ATOM 1357 HN ILE 83 6.173 -32.696 16.264 1.00 37.85 ATOM 1358 CA ILE 83 5.604 -30.645 16.183 1.00 1.54 ATOM 1359 HA ILE 83 5.833 -30.041 15.315 1.00 63.34 ATOM 1360 CB ILE 83 4.130 -31.122 16.064 1.00 12.43 ATOM 1361 HB ILE 83 3.935 -31.813 16.873 1.00 5.55 ATOM 1362 CG1 ILE 83 3.913 -31.850 14.725 1.00 0.45 ATOM 1363 HG11 ILE 83 4.603 -32.679 14.657 1.00 37.85 ATOM 1364 HG12 ILE 83 4.105 -31.164 13.912 1.00 64.03 ATOM 1365 CG2 ILE 83 3.158 -29.947 16.206 1.00 43.34 ATOM 1366 HG21 ILE 83 3.352 -29.220 15.431 1.00 64.01 ATOM 1367 HG22 ILE 83 3.289 -29.483 17.174 1.00 22.33 ATOM 1368 HG23 ILE 83 2.143 -30.305 16.116 1.00 12.32 ATOM 1369 CD1 ILE 83 2.512 -32.398 14.542 1.00 32.54 ATOM 1370 HD11 ILE 83 1.800 -31.585 14.567 1.00 73.44 ATOM 1371 HD12 ILE 83 2.289 -33.095 15.337 1.00 71.41 ATOM 1372 HD13 ILE 83 2.446 -32.904 13.591 1.00 51.23 ATOM 1373 C ILE 83 5.767 -29.770 17.442 1.00 44.04 ATOM 1374 O ILE 83 5.701 -28.540 17.369 1.00 75.45 ATOM 1375 N ASN 84 5.991 -30.410 18.590 1.00 11.32 ATOM 1376 HN ASN 84 6.014 -31.393 18.589 1.00 37.85 ATOM 1377 CA ASN 84 6.193 -29.692 19.858 1.00 45.14 ATOM 1378 HA ASN 84 5.399 -28.964 19.955 1.00 71.12 ATOM 1379 CB ASN 84 6.114 -30.668 21.040 1.00 64.23 ATOM 1380 HB1 ASN 84 6.445 -30.165 21.937 1.00 37.85 ATOM 1381 HB2 ASN 84 6.765 -31.509 20.846 1.00 4.21 ATOM 1382 CG ASN 84 4.709 -31.196 21.279 1.00 23.15 ATOM 1383 OD1 ASN 84 3.721 -30.509 21.037 1.00 1.23 ATOM 1384 ND2 ASN 84 4.606 -32.414 21.768 1.00 24.33 ATOM 1385 HD21 ASN 84 5.430 -32.913 21.950 1.00 3.10 ATOM 1386 HD22 ASN 84 3.709 -32.772 21.929 1.00 14.13 ATOM 1387 C ASN 84 7.543 -28.952 19.895 1.00 3.43 ATOM 1388 O ASN 84 7.662 -27.891 20.515 1.00 20.14 ATOM 1389 N LYS 85 8.558 -29.521 19.243 1.00 72.03 ATOM 1390 HN LYS 85 8.404 -30.370 18.775 1.00 37.85 ATOM 1391 CA LYS 85 9.907 -28.932 19.234 1.00 23.13 ATOM 1392 HA LYS 85 10.029 -28.369 20.148 1.00 51.41 ATOM 1393 CB LYS 85 10.959 -30.049 19.200 1.00 72.24 ATOM 1394 HB1 LYS 85 11.941 -29.607 19.292 1.00 37.85 ATOM 1395 HB2 LYS 85 10.890 -30.554 18.252 1.00 41.24 ATOM 1396 CG LYS 85 10.802 -31.096 20.300 1.00 74.20 ATOM 1397 HG1 LYS 85 9.805 -31.512 20.247 1.00 37.85 ATOM 1398 HG2 LYS 85 10.942 -30.620 21.261 1.00 11.54 ATOM 1399 CD LYS 85 11.822 -32.229 20.155 1.00 4.34 ATOM 1400 HD1 LYS 85 11.809 -32.585 19.132 1.00 37.85 ATOM 1401 HD2 LYS 85 11.542 -33.037 20.816 1.00 75.05 ATOM 1402 CE LYS 85 13.237 -31.782 20.504 1.00 54.25 ATOM 1403 HE1 LYS 85 13.487 -30.914 19.911 1.00 37.85 ATOM 1404 HE2 LYS 85 13.922 -32.584 20.272 1.00 23.33 ATOM 1405 NZ LYS 85 13.368 -31.439 21.945 1.00 73.32 ATOM 1406 HZ1 LYS 85 13.122 -32.263 22.532 1.00 32.13 ATOM 1407 HZ2 LYS 85 12.733 -30.655 22.189 1.00 21.40 ATOM 1408 HZ3 LYS 85 14.345 -31.157 22.158 1.00 61.10 ATOM 1409 C LYS 85 10.121 -27.978 18.038 1.00 52.24 ATOM 1410 O LYS 85 11.065 -27.189 18.033 1.00 50.41 ATOM 1411 N LYS 86 9.250 -28.070 17.024 1.00 23.11 ATOM 1412 HN LYS 86 8.544 -28.748 17.075 1.00 37.85 ATOM 1413 CA LYS 86 9.302 -27.191 15.831 1.00 64.34 ATOM 1414 HA LYS 86 8.489 -27.491 15.185 1.00 53.21 ATOM 1415 CB LYS 86 9.094 -25.708 16.213 1.00 31.33 ATOM 1416 HB1 LYS 86 9.325 -25.096 15.350 1.00 37.85 ATOM 1417 HB2 LYS 86 9.782 -25.457 17.005 1.00 62.42 ATOM 1418 CG LYS 86 7.684 -25.345 16.681 1.00 1.34 ATOM 1419 HG1 LYS 86 6.968 -25.763 15.985 1.00 37.85 ATOM 1420 HG2 LYS 86 7.588 -24.269 16.686 1.00 3.02 ATOM 1421 CD LYS 86 7.378 -25.868 18.081 1.00 11.21 ATOM 1422 HD1 LYS 86 8.166 -25.560 18.752 1.00 37.85 ATOM 1423 HD2 LYS 86 7.331 -26.948 18.051 1.00 13.31 ATOM 1424 CE LYS 86 6.050 -25.333 18.599 1.00 53.51 ATOM 1425 HE1 LYS 86 5.857 -25.764 19.573 1.00 37.85 ATOM 1426 HE2 LYS 86 5.264 -25.624 17.916 1.00 64.43 ATOM 1427 NZ LYS 86 6.060 -23.851 18.720 1.00 25.41 ATOM 1428 HZ1 LYS 86 6.323 -23.419 17.812 1.00 42.21 ATOM 1429 HZ2 LYS 86 6.743 -23.553 19.442 1.00 3.32 ATOM 1430 HZ3 LYS 86 5.118 -23.508 18.990 1.00 13.43 ATOM 1431 C LYS 86 10.618 -27.319 15.031 1.00 53.30 ATOM 1432 O LYS 86 10.891 -26.496 14.158 1.00 35.12 ATOM 1433 N LEU 87 11.406 -28.359 15.291 1.00 62.33 ATOM 1434 HN LEU 87 11.096 -29.039 15.919 1.00 37.85 ATOM 1435 CA LEU 87 12.738 -28.508 14.665 1.00 70.25 ATOM 1436 HA LEU 87 13.160 -27.516 14.572 1.00 3.54 ATOM 1437 CB LEU 87 13.660 -29.342 15.581 1.00 62.21 ATOM 1438 HB1 LEU 87 13.543 -28.971 16.590 1.00 37.85 ATOM 1439 HB2 LEU 87 14.680 -29.161 15.275 1.00 41.54 ATOM 1440 CG LEU 87 13.439 -30.873 15.607 1.00 74.24 ATOM 1441 HG LEU 87 13.769 -31.286 14.663 1.00 13.23 ATOM 1442 CD1 LEU 87 14.278 -31.513 16.705 1.00 35.54 ATOM 1443 HD11 LEU 87 14.056 -32.569 16.761 1.00 2.45 ATOM 1444 HD12 LEU 87 14.050 -31.049 17.655 1.00 72.23 ATOM 1445 HD13 LEU 87 15.327 -31.379 16.483 1.00 11.22 ATOM 1446 CD2 LEU 87 11.972 -31.235 15.785 1.00 53.42 ATOM 1447 HD21 LEU 87 11.415 -30.920 14.915 1.00 74.20 ATOM 1448 HD22 LEU 87 11.584 -30.737 16.654 1.00 3.11 ATOM 1449 HD23 LEU 87 11.874 -32.304 15.907 1.00 20.13 ATOM 1450 C LEU 87 12.662 -29.129 13.249 1.00 33.33 ATOM 1451 O LEU 87 13.568 -29.851 12.821 1.00 2.04 ATOM 1452 N TRP 88 11.610 -28.792 12.503 1.00 64.25 ATOM 1453 HN TRP 88 10.976 -28.133 12.851 1.00 37.85 ATOM 1454 CA TRP 88 11.376 -29.370 11.170 1.00 35.32 ATOM 1455 HA TRP 88 11.335 -30.444 11.293 1.00 33.15 ATOM 1456 CB TRP 88 10.021 -28.900 10.616 1.00 20.31 ATOM 1457 HB1 TRP 88 9.985 -29.091 9.552 1.00 37.85 ATOM 1458 HB2 TRP 88 9.917 -27.838 10.787 1.00 63.02 ATOM 1459 CG TRP 88 8.845 -29.592 11.252 1.00 70.43 ATOM 1460 CD1 TRP 88 8.099 -29.160 12.316 1.00 32.45 ATOM 1461 HD1 TRP 88 8.266 -28.232 12.842 1.00 71.11 ATOM 1462 CD2 TRP 88 8.287 -30.850 10.856 1.00 63.53 ATOM 1463 NE1 TRP 88 7.113 -30.077 12.600 1.00 54.20 ATOM 1464 HE1 TRP 88 6.454 -30.001 13.321 1.00 74.13 ATOM 1465 CE2 TRP 88 7.213 -31.124 11.721 1.00 21.51 ATOM 1466 CE3 TRP 88 8.600 -31.774 9.854 1.00 33.05 ATOM 1467 HE3 TRP 88 9.418 -31.601 9.169 1.00 44.41 ATOM 1468 CZ2 TRP 88 6.449 -32.283 11.610 1.00 44.30 ATOM 1469 HZ2 TRP 88 5.625 -32.490 12.276 1.00 22.52 ATOM 1470 CZ3 TRP 88 7.841 -32.923 9.746 1.00 15.41 ATOM 1471 HZ3 TRP 88 8.070 -33.650 8.980 1.00 62.25 ATOM 1472 CH2 TRP 88 6.778 -33.169 10.620 1.00 15.43 ATOM 1473 HH2 TRP 88 6.213 -34.083 10.503 1.00 11.32 ATOM 1474 C TRP 88 12.505 -29.054 10.165 1.00 62.03 ATOM 1475 O TRP 88 12.586 -29.683 9.109 1.00 75.03 ATOM 1476 N ARG 89 13.378 -28.095 10.491 1.00 73.24 ATOM 1477 HN ARG 89 13.249 -27.589 11.323 1.00 37.85 ATOM 1478 CA ARG 89 14.525 -27.775 9.623 1.00 33.11 ATOM 1479 HA ARG 89 14.138 -27.494 8.651 1.00 44.14 ATOM 1480 CB ARG 89 15.335 -26.602 10.202 1.00 62.21 ATOM 1481 HB1 ARG 89 14.652 -25.810 10.472 1.00 37.85 ATOM 1482 HB2 ARG 89 16.011 -26.236 9.442 1.00 3.31 ATOM 1483 CG ARG 89 16.155 -26.971 11.438 1.00 3.40 ATOM 1484 HG1 ARG 89 16.796 -27.806 11.194 1.00 37.85 ATOM 1485 HG2 ARG 89 15.480 -27.260 12.230 1.00 75.10 ATOM 1486 CD ARG 89 17.018 -25.815 11.925 1.00 43.14 ATOM 1487 HD1 ARG 89 16.375 -25.051 12.340 1.00 37.85 ATOM 1488 HD2 ARG 89 17.563 -25.409 11.086 1.00 3.43 ATOM 1489 NE ARG 89 17.974 -26.245 12.949 1.00 34.23 ATOM 1490 HE ARG 89 18.168 -27.205 13.010 1.00 21.34 ATOM 1491 CZ ARG 89 18.600 -25.430 13.757 1.00 23.14 ATOM 1492 NH1 ARG 89 18.339 -24.163 13.746 1.00 51.13 ATOM 1493 HH11 ARG 89 17.652 -23.799 13.121 1.00 5.42 ATOM 1494 HH12 ARG 89 18.831 -23.552 14.362 1.00 64.21 ATOM 1495 NH2 ARG 89 19.477 -25.886 14.594 1.00 73.40 ATOM 1496 HH21 ARG 89 19.679 -26.864 14.625 1.00 22.01 ATOM 1497 HH22 ARG 89 19.950 -25.258 15.207 1.00 52.10 ATOM 1498 C ARG 89 15.445 -29.000 9.452 1.00 61.50 ATOM 1499 O ARG 89 16.034 -29.211 8.390 1.00 40.10 ATOM 1500 N GLU 90 15.559 -29.803 10.512 1.00 30.31 ATOM 1501 HN GLU 90 15.075 -29.573 11.335 1.00 37.85 ATOM 1502 CA GLU 90 16.378 -31.019 10.485 1.00 21.13 ATOM 1503 HA GLU 90 17.364 -30.749 10.131 1.00 52.41 ATOM 1504 CB GLU 90 16.499 -31.611 11.896 1.00 54.41 ATOM 1505 HB1 GLU 90 17.103 -32.507 11.846 1.00 37.85 ATOM 1506 HB2 GLU 90 15.513 -31.876 12.250 1.00 75.40 ATOM 1507 CG GLU 90 17.132 -30.669 12.917 1.00 14.34 ATOM 1508 HG1 GLU 90 17.159 -31.168 13.877 1.00 37.85 ATOM 1509 HG2 GLU 90 16.518 -29.782 12.995 1.00 61.54 ATOM 1510 CD GLU 90 18.548 -30.253 12.545 1.00 62.43 ATOM 1511 OE1 GLU 90 19.420 -31.139 12.421 1.00 73.20 ATOM 1512 OE2 GLU 90 18.803 -29.038 12.391 1.00 12.21 ATOM 1513 C GLU 90 15.777 -32.061 9.536 1.00 4.35 ATOM 1514 O GLU 90 16.495 -32.848 8.916 1.00 0.41 ATOM 1515 N ILE 91 14.451 -32.050 9.428 1.00 53.03 ATOM 1516 HN ILE 91 13.942 -31.387 9.937 1.00 37.85 ATOM 1517 CA ILE 91 13.731 -32.988 8.566 1.00 4.44 ATOM 1518 HA ILE 91 14.088 -33.986 8.785 1.00 45.01 ATOM 1519 CB ILE 91 12.206 -32.942 8.841 1.00 53.13 ATOM 1520 HB ILE 91 11.830 -31.991 8.484 1.00 21.14 ATOM 1521 CG1 ILE 91 11.923 -33.052 10.354 1.00 42.35 ATOM 1522 HG11 ILE 91 10.855 -33.039 10.515 1.00 37.85 ATOM 1523 HG12 ILE 91 12.363 -32.204 10.859 1.00 1.10 ATOM 1524 CG2 ILE 91 11.486 -34.049 8.071 1.00 10.22 ATOM 1525 HG21 ILE 91 10.428 -34.012 8.288 1.00 25.54 ATOM 1526 HG22 ILE 91 11.879 -35.012 8.367 1.00 34.11 ATOM 1527 HG23 ILE 91 11.639 -33.911 7.010 1.00 34.21 ATOM 1528 CD1 ILE 91 12.474 -34.307 11.001 1.00 73.34 ATOM 1529 HD11 ILE 91 12.236 -34.303 12.055 1.00 52.31 ATOM 1530 HD12 ILE 91 13.547 -34.339 10.875 1.00 11.12 ATOM 1531 HD13 ILE 91 12.032 -35.177 10.537 1.00 73.21 ATOM 1532 C ILE 91 13.993 -32.678 7.084 1.00 51.24 ATOM 1533 O ILE 91 14.425 -33.546 6.324 1.00 14.35 ATOM 1534 N THR 92 13.752 -31.427 6.686 1.00 42.43 ATOM 1535 HN THR 92 13.394 -30.780 7.334 1.00 37.85 ATOM 1536 CA THR 92 14.017 -30.984 5.308 1.00 45.02 ATOM 1537 HA THR 92 13.413 -31.589 4.643 1.00 65.43 ATOM 1538 CB THR 92 13.635 -29.497 5.096 1.00 42.22 ATOM 1539 HB THR 92 13.978 -29.188 4.118 1.00 31.11 ATOM 1540 OG1 THR 92 14.276 -28.677 6.084 1.00 72.34 ATOM 1541 HG1 THR 92 14.909 -28.093 5.657 1.00 62.15 ATOM 1542 CG2 THR 92 12.125 -29.295 5.163 1.00 64.21 ATOM 1543 HG21 THR 92 11.758 -29.624 6.124 1.00 43.13 ATOM 1544 HG22 THR 92 11.649 -29.868 4.380 1.00 10.40 ATOM 1545 HG23 THR 92 11.896 -28.247 5.029 1.00 2.10 ATOM 1546 C THR 92 15.495 -31.164 4.942 1.00 62.05 ATOM 1547 O THR 92 15.825 -31.730 3.898 1.00 60.14 ATOM 1548 N LYS 93 16.381 -30.691 5.819 1.00 44.10 ATOM 1549 HN LYS 93 16.052 -30.248 6.633 1.00 37.85 ATOM 1550 CA LYS 93 17.830 -30.803 5.605 1.00 71.22 ATOM 1551 HA LYS 93 18.070 -30.274 4.694 1.00 0.24 ATOM 1552 CB LYS 93 18.584 -30.149 6.776 1.00 13.25 ATOM 1553 HB1 LYS 93 18.539 -30.811 7.631 1.00 37.85 ATOM 1554 HB2 LYS 93 18.090 -29.224 7.030 1.00 62.05 ATOM 1555 CG LYS 93 20.053 -29.840 6.492 1.00 20.31 ATOM 1556 HG1 LYS 93 20.552 -30.751 6.188 1.00 37.85 ATOM 1557 HG2 LYS 93 20.512 -29.465 7.397 1.00 13.44 ATOM 1558 CD LYS 93 20.212 -28.793 5.388 1.00 43.02 ATOM 1559 HD1 LYS 93 19.581 -27.944 5.616 1.00 37.85 ATOM 1560 HD2 LYS 93 19.908 -29.225 4.446 1.00 1.14 ATOM 1561 CE LYS 93 21.656 -28.316 5.265 1.00 35.10 ATOM 1562 HE1 LYS 93 22.282 -29.158 5.009 1.00 37.85 ATOM 1563 HE2 LYS 93 21.972 -27.911 6.217 1.00 0.33 ATOM 1564 NZ LYS 93 21.810 -27.265 4.225 1.00 1.53 ATOM 1565 HZ1 LYS 93 22.772 -26.870 4.256 1.00 72.14 ATOM 1566 HZ2 LYS 93 21.131 -26.498 4.384 1.00 23.14 ATOM 1567 HZ3 LYS 93 21.646 -27.667 3.281 1.00 41.11 ATOM 1568 C LYS 93 18.255 -32.278 5.449 1.00 24.42 ATOM 1569 O LYS 93 19.118 -32.608 4.632 1.00 33.13 ATOM 1570 N GLY 94 17.625 -33.160 6.227 1.00 30.24 ATOM 1571 HN GLY 94 16.971 -32.836 6.883 1.00 37.85 ATOM 1572 CA GLY 94 17.900 -34.593 6.130 1.00 61.34 ATOM 1573 HA1 GLY 94 17.363 -35.101 6.917 1.00 37.85 ATOM 1574 HA2 GLY 94 18.959 -34.755 6.272 1.00 61.11 ATOM 1575 C GLY 94 17.486 -35.194 4.787 1.00 54.33 ATOM 1576 O GLY 94 18.083 -36.164 4.318 1.00 52.24 ATOM 1577 N LEU 95 16.463 -34.610 4.165 1.00 50.41 ATOM 1578 HN LEU 95 16.011 -33.855 4.599 1.00 37.85 ATOM 1579 CA LEU 95 15.983 -35.058 2.852 1.00 14.20 ATOM 1580 HA LEU 95 16.213 -36.109 2.748 1.00 24.04 ATOM 1581 CB LEU 95 14.462 -34.864 2.761 1.00 15.53 ATOM 1582 HB1 LEU 95 14.118 -35.315 1.840 1.00 37.85 ATOM 1583 HB2 LEU 95 14.260 -33.802 2.715 1.00 2.34 ATOM 1584 CG LEU 95 13.643 -35.456 3.920 1.00 72.11 ATOM 1585 HG LEU 95 13.933 -34.966 4.840 1.00 51.40 ATOM 1586 CD1 LEU 95 12.151 -35.204 3.715 1.00 14.33 ATOM 1587 HD11 LEU 95 11.967 -34.141 3.665 1.00 54.43 ATOM 1588 HD12 LEU 95 11.595 -35.624 4.541 1.00 71.34 ATOM 1589 HD13 LEU 95 11.829 -35.668 2.793 1.00 45.45 ATOM 1590 CD2 LEU 95 13.924 -36.946 4.076 1.00 15.42 ATOM 1591 HD21 LEU 95 13.340 -37.340 4.895 1.00 53.33 ATOM 1592 HD22 LEU 95 14.975 -37.095 4.282 1.00 41.10 ATOM 1593 HD23 LEU 95 13.660 -37.462 3.165 1.00 4.22 ATOM 1594 C LEU 95 16.676 -34.280 1.716 1.00 3.01 ATOM 1595 O LEU 95 16.335 -34.441 0.542 1.00 60.35 ATOM 1596 N ASN 96 17.643 -33.432 2.090 1.00 54.50 ATOM 1597 HN ASN 96 17.878 -33.384 3.039 1.00 37.85 ATOM 1598 CA ASN 96 18.375 -32.573 1.143 1.00 23.43 ATOM 1599 HA ASN 96 19.141 -32.061 1.708 1.00 40.34 ATOM 1600 CB ASN 96 19.054 -33.420 0.052 1.00 34.11 ATOM 1601 HB1 ASN 96 18.306 -33.775 -0.642 1.00 37.85 ATOM 1602 HB2 ASN 96 19.536 -34.271 0.514 1.00 23.34 ATOM 1603 CG ASN 96 20.104 -32.642 -0.726 1.00 34.31 ATOM 1604 OD1 ASN 96 19.828 -32.054 -1.768 1.00 4.23 ATOM 1605 ND2 ASN 96 21.317 -32.623 -0.218 1.00 32.25 ATOM 1606 HD21 ASN 96 21.476 -33.106 0.619 1.00 52.32 ATOM 1607 HD22 ASN 96 22.009 -32.134 -0.703 1.00 14.43 ATOM 1608 C ASN 96 17.449 -31.504 0.524 1.00 72.13 ATOM 1609 O ASN 96 17.748 -30.924 -0.520 1.00 10.41 ATOM 1610 N LEU 97 16.337 -31.225 1.196 1.00 34.34 ATOM 1611 HN LEU 97 16.151 -31.712 2.025 1.00 37.85 ATOM 1612 CA LEU 97 15.385 -30.205 0.743 1.00 33.24 ATOM 1613 HA LEU 97 15.407 -30.181 -0.337 1.00 54.10 ATOM 1614 CB LEU 97 13.965 -30.566 1.207 1.00 60.24 ATOM 1615 HB1 LEU 97 13.275 -29.852 0.779 1.00 37.85 ATOM 1616 HB2 LEU 97 13.928 -30.472 2.285 1.00 52.21 ATOM 1617 CG LEU 97 13.490 -31.978 0.832 1.00 10.22 ATOM 1618 HG LEU 97 14.105 -32.696 1.351 1.00 13.14 ATOM 1619 CD1 LEU 97 12.047 -32.204 1.276 1.00 64.34 ATOM 1620 HD11 LEU 97 11.747 -33.211 1.028 1.00 23.40 ATOM 1621 HD12 LEU 97 11.397 -31.502 0.773 1.00 22.14 ATOM 1622 HD13 LEU 97 11.972 -32.060 2.345 1.00 42.23 ATOM 1623 CD2 LEU 97 13.646 -32.232 -0.665 1.00 3.11 ATOM 1624 HD21 LEU 97 14.687 -32.138 -0.938 1.00 63.32 ATOM 1625 HD22 LEU 97 13.061 -31.513 -1.220 1.00 31.53 ATOM 1626 HD23 LEU 97 13.305 -33.231 -0.897 1.00 25.12 ATOM 1627 C LEU 97 15.772 -28.818 1.283 1.00 20.12 ATOM 1628 O LEU 97 16.338 -28.709 2.374 1.00 64.14 ATOM 1629 N PRO 98 15.468 -27.738 0.535 1.00 25.23 ATOM 1630 CA PRO 98 15.796 -26.368 0.966 1.00 51.23 ATOM 1631 HA PRO 98 16.863 -26.250 1.104 1.00 74.12 ATOM 1632 CB PRO 98 15.332 -25.495 -0.214 1.00 72.15 ATOM 1633 HB1 PRO 98 16.180 -25.252 -0.839 1.00 37.85 ATOM 1634 HB2 PRO 98 14.884 -24.584 0.157 1.00 0.52 ATOM 1635 CG PRO 98 14.339 -26.333 -0.951 1.00 1.11 ATOM 1636 HG1 PRO 98 14.339 -26.068 -1.998 1.00 37.85 ATOM 1637 HG2 PRO 98 13.352 -26.192 -0.529 1.00 34.12 ATOM 1638 CD PRO 98 14.789 -27.759 -0.773 1.00 12.43 ATOM 1639 HD1 PRO 98 15.476 -28.042 -1.558 1.00 37.85 ATOM 1640 HD2 PRO 98 13.938 -28.426 -0.756 1.00 1.34 ATOM 1641 C PRO 98 15.070 -25.965 2.263 1.00 42.40 ATOM 1642 O PRO 98 13.864 -26.158 2.402 1.00 14.10 ATOM 1643 N THR 99 15.809 -25.388 3.208 1.00 41.34 ATOM 1644 HN THR 99 16.759 -25.211 3.028 1.00 37.85 ATOM 1645 CA THR 99 15.236 -25.001 4.509 1.00 14.43 ATOM 1646 HA THR 99 14.535 -25.773 4.799 1.00 41.15 ATOM 1647 CB THR 99 16.329 -24.911 5.606 1.00 4.21 ATOM 1648 HB THR 99 16.806 -25.879 5.686 1.00 73.25 ATOM 1649 OG1 THR 99 15.749 -24.578 6.881 1.00 13.41 ATOM 1650 HG1 THR 99 14.974 -24.017 6.748 1.00 65.24 ATOM 1651 CG2 THR 99 17.396 -23.880 5.249 1.00 25.04 ATOM 1652 HG21 THR 99 17.867 -24.153 4.315 1.00 13.33 ATOM 1653 HG22 THR 99 18.143 -23.849 6.029 1.00 23.20 ATOM 1654 HG23 THR 99 16.939 -22.904 5.152 1.00 12.22 ATOM 1655 C THR 99 14.482 -23.663 4.431 1.00 72.34 ATOM 1656 O THR 99 13.850 -23.241 5.398 1.00 53.44 ATOM 1657 N SER 100 14.548 -23.001 3.275 1.00 11.13 ATOM 1658 HN SER 100 15.069 -23.387 2.538 1.00 37.85 ATOM 1659 CA SER 100 13.884 -21.697 3.081 1.00 20.45 ATOM 1660 HA SER 100 13.876 -21.187 4.034 1.00 4.14 ATOM 1661 CB SER 100 14.676 -20.846 2.076 1.00 34.52 ATOM 1662 HB1 SER 100 14.593 -21.284 1.091 1.00 37.85 ATOM 1663 HB2 SER 100 15.715 -20.823 2.369 1.00 50.42 ATOM 1664 OG SER 100 14.190 -19.512 2.024 1.00 30.42 ATOM 1665 HG SER 100 14.931 -18.910 1.873 1.00 44.22 ATOM 1666 C SER 100 12.428 -21.851 2.598 1.00 11.20 ATOM 1667 O SER 100 11.769 -20.864 2.249 1.00 24.33 ATOM 1668 N ILE 101 11.921 -23.088 2.584 1.00 13.31 ATOM 1669 HN ILE 101 12.486 -23.838 2.862 1.00 37.85 ATOM 1670 CA ILE 101 10.533 -23.348 2.169 1.00 64.10 ATOM 1671 HA ILE 101 10.418 -22.955 1.165 1.00 44.43 ATOM 1672 CB ILE 101 10.209 -24.863 2.130 1.00 3.42 ATOM 1673 HB ILE 101 10.370 -25.268 3.120 1.00 55.13 ATOM 1674 CG1 ILE 101 11.134 -25.582 1.134 1.00 71.25 ATOM 1675 HG11 ILE 101 12.160 -25.346 1.372 1.00 37.85 ATOM 1676 HG12 ILE 101 10.914 -25.238 0.134 1.00 42.32 ATOM 1677 CG2 ILE 101 8.742 -25.089 1.754 1.00 4.00 ATOM 1678 HG21 ILE 101 8.540 -24.636 0.793 1.00 43.13 ATOM 1679 HG22 ILE 101 8.104 -24.642 2.503 1.00 14.10 ATOM 1680 HG23 ILE 101 8.542 -26.150 1.701 1.00 63.32 ATOM 1681 CD1 ILE 101 10.991 -27.091 1.140 1.00 4.20 ATOM 1682 HD11 ILE 101 11.225 -27.471 2.123 1.00 23.22 ATOM 1683 HD12 ILE 101 11.671 -27.518 0.418 1.00 5.40 ATOM 1684 HD13 ILE 101 9.977 -27.360 0.882 1.00 62.33 ATOM 1685 C ILE 101 9.534 -22.630 3.092 1.00 54.21 ATOM 1686 O ILE 101 9.553 -22.806 4.311 1.00 1.42 ATOM 1687 N THR 102 8.644 -21.854 2.481 1.00 51.04 ATOM 1688 HN THR 102 8.578 -21.900 1.503 1.00 37.85 ATOM 1689 CA THR 102 7.763 -20.920 3.198 1.00 62.34 ATOM 1690 HA THR 102 8.394 -20.163 3.643 1.00 35.55 ATOM 1691 CB THR 102 6.812 -20.215 2.202 1.00 43.15 ATOM 1692 HB THR 102 6.028 -20.903 1.920 1.00 64.32 ATOM 1693 OG1 THR 102 7.543 -19.826 1.024 1.00 52.34 ATOM 1694 HG1 THR 102 6.950 -19.838 0.257 1.00 33.21 ATOM 1695 CG2 THR 102 6.181 -18.977 2.824 1.00 31.43 ATOM 1696 HG21 THR 102 5.508 -18.520 2.113 1.00 61.41 ATOM 1697 HG22 THR 102 6.955 -18.271 3.090 1.00 54.54 ATOM 1698 HG23 THR 102 5.632 -19.259 3.711 1.00 63.32 ATOM 1699 C THR 102 6.930 -21.581 4.318 1.00 45.45 ATOM 1700 O THR 102 6.674 -20.959 5.353 1.00 52.25 ATOM 1701 N SER 103 6.498 -22.828 4.107 1.00 41.12 ATOM 1702 HN SER 103 6.719 -23.267 3.262 1.00 37.85 ATOM 1703 CA SER 103 5.705 -23.560 5.119 1.00 60.14 ATOM 1704 HA SER 103 6.060 -23.253 6.094 1.00 53.32 ATOM 1705 CB SER 103 4.208 -23.208 5.013 1.00 15.54 ATOM 1706 HB1 SER 103 3.636 -23.882 5.636 1.00 37.85 ATOM 1707 HB2 SER 103 3.886 -23.310 3.987 1.00 24.35 ATOM 1708 OG SER 103 3.957 -21.877 5.436 1.00 42.04 ATOM 1709 HG SER 103 3.657 -21.358 4.686 1.00 22.32 ATOM 1710 C SER 103 5.892 -25.081 5.006 1.00 13.42 ATOM 1711 O SER 103 4.918 -25.844 4.952 1.00 1.03 ATOM 1712 N ALA 104 7.146 -25.523 4.997 1.00 62.22 ATOM 1713 HN ALA 104 7.883 -24.871 5.032 1.00 37.85 ATOM 1714 CA ALA 104 7.460 -26.955 4.945 1.00 24.00 ATOM 1715 HA ALA 104 6.945 -27.379 4.093 1.00 22.04 ATOM 1716 CB ALA 104 8.956 -27.161 4.747 1.00 10.12 ATOM 1717 HB1 ALA 104 9.494 -26.725 5.577 1.00 4.02 ATOM 1718 HB2 ALA 104 9.268 -26.687 3.828 1.00 10.30 ATOM 1719 HB3 ALA 104 9.171 -28.219 4.695 1.00 4.31 ATOM 1720 C ALA 104 6.990 -27.669 6.218 1.00 50.44 ATOM 1721 O ALA 104 6.386 -28.739 6.156 1.00 53.24 ATOM 1722 N ALA 105 7.247 -27.047 7.368 1.00 44.43 ATOM 1723 HN ALA 105 7.706 -26.180 7.339 1.00 37.85 ATOM 1724 CA ALA 105 6.884 -27.615 8.673 1.00 65.02 ATOM 1725 HA ALA 105 7.506 -28.482 8.841 1.00 64.42 ATOM 1726 CB ALA 105 7.186 -26.604 9.775 1.00 50.44 ATOM 1727 HB1 ALA 105 6.570 -25.726 9.639 1.00 13.51 ATOM 1728 HB2 ALA 105 8.228 -26.322 9.730 1.00 0.41 ATOM 1729 HB3 ALA 105 6.975 -27.045 10.739 1.00 2.20 ATOM 1730 C ALA 105 5.408 -28.042 8.742 1.00 35.45 ATOM 1731 O ALA 105 5.079 -29.095 9.294 1.00 72.53 ATOM 1732 N PHE 106 4.522 -27.213 8.191 1.00 21.35 ATOM 1733 HN PHE 106 4.846 -26.397 7.756 1.00 37.85 ATOM 1734 CA PHE 106 3.080 -27.488 8.212 1.00 64.42 ATOM 1735 HA PHE 106 2.833 -27.848 9.201 1.00 11.42 ATOM 1736 CB PHE 106 2.291 -26.197 7.950 1.00 20.20 ATOM 1737 HB1 PHE 106 2.477 -25.869 6.936 1.00 37.85 ATOM 1738 HB2 PHE 106 2.628 -25.432 8.635 1.00 71.13 ATOM 1739 CG PHE 106 0.799 -26.354 8.128 1.00 54.51 ATOM 1740 CD1 PHE 106 -0.051 -26.418 7.031 1.00 45.33 ATOM 1741 HD1 PHE 106 0.363 -26.352 6.036 1.00 13.54 ATOM 1742 CD2 PHE 106 0.249 -26.441 9.401 1.00 4.15 ATOM 1743 HD2 PHE 106 0.899 -26.396 10.263 1.00 53.43 ATOM 1744 CE1 PHE 106 -1.415 -26.562 7.201 1.00 54.42 ATOM 1745 HE1 PHE 106 -2.066 -26.611 6.339 1.00 5.34 ATOM 1746 CE2 PHE 106 -1.115 -26.585 9.573 1.00 30.42 ATOM 1747 HE2 PHE 106 -1.530 -26.648 10.569 1.00 3.51 ATOM 1748 CZ PHE 106 -1.947 -26.645 8.473 1.00 61.14 ATOM 1749 HZ PHE 106 -3.012 -26.756 8.608 1.00 15.22 ATOM 1750 C PHE 106 2.685 -28.568 7.187 1.00 54.10 ATOM 1751 O PHE 106 1.908 -29.476 7.489 1.00 31.12 ATOM 1752 N THR 107 3.221 -28.463 5.973 1.00 52.33 ATOM 1753 HN THR 107 3.850 -27.732 5.793 1.00 37.85 ATOM 1754 CA THR 107 2.891 -29.409 4.894 1.00 64.33 ATOM 1755 HA THR 107 1.813 -29.446 4.812 1.00 42.34 ATOM 1756 CB THR 107 3.458 -28.938 3.530 1.00 32.41 ATOM 1757 HB THR 107 4.536 -28.890 3.601 1.00 43.53 ATOM 1758 OG1 THR 107 2.953 -27.629 3.215 1.00 21.12 ATOM 1759 HG1 THR 107 3.621 -26.966 3.429 1.00 32.20 ATOM 1760 CG2 THR 107 3.085 -29.905 2.407 1.00 45.24 ATOM 1761 HG21 THR 107 2.010 -29.988 2.346 1.00 31.34 ATOM 1762 HG22 THR 107 3.509 -30.878 2.611 1.00 71.30 ATOM 1763 HG23 THR 107 3.471 -29.535 1.467 1.00 4.11 ATOM 1764 C THR 107 3.407 -30.827 5.195 1.00 0.34 ATOM 1765 O THR 107 2.675 -31.809 5.043 1.00 54.23 ATOM 1766 N LEU 108 4.661 -30.927 5.639 1.00 43.05 ATOM 1767 HN LEU 108 5.183 -30.109 5.775 1.00 37.85 ATOM 1768 CA LEU 108 5.286 -32.226 5.929 1.00 12.43 ATOM 1769 HA LEU 108 5.295 -32.793 5.008 1.00 4.13 ATOM 1770 CB LEU 108 6.735 -32.034 6.403 1.00 73.11 ATOM 1771 HB1 LEU 108 7.132 -33.000 6.681 1.00 37.85 ATOM 1772 HB2 LEU 108 6.720 -31.405 7.283 1.00 21.31 ATOM 1773 CG LEU 108 7.692 -31.401 5.379 1.00 12.25 ATOM 1774 HG LEU 108 7.315 -30.426 5.103 1.00 61.54 ATOM 1775 CD1 LEU 108 9.080 -31.208 5.987 1.00 75.14 ATOM 1776 HD11 LEU 108 9.735 -30.758 5.255 1.00 45.40 ATOM 1777 HD12 LEU 108 9.482 -32.164 6.289 1.00 71.42 ATOM 1778 HD13 LEU 108 9.008 -30.560 6.849 1.00 41.12 ATOM 1779 CD2 LEU 108 7.769 -32.250 4.111 1.00 42.20 ATOM 1780 HD21 LEU 108 8.470 -31.804 3.420 1.00 1.44 ATOM 1781 HD22 LEU 108 6.793 -32.298 3.650 1.00 4.42 ATOM 1782 HD23 LEU 108 8.098 -33.248 4.363 1.00 21.44 ATOM 1783 C LEU 108 4.500 -33.021 6.985 1.00 2.24 ATOM 1784 O LEU 108 4.220 -34.204 6.796 1.00 31.01 ATOM 1785 N ARG 109 4.141 -32.368 8.091 1.00 34.21 ATOM 1786 HN ARG 109 4.378 -31.421 8.184 1.00 37.85 ATOM 1787 CA ARG 109 3.409 -33.037 9.177 1.00 30.34 ATOM 1788 HA ARG 109 3.994 -33.893 9.486 1.00 42.41 ATOM 1789 CB ARG 109 3.239 -32.097 10.381 1.00 70.33 ATOM 1790 HB1 ARG 109 4.207 -31.695 10.645 1.00 37.85 ATOM 1791 HB2 ARG 109 2.862 -32.669 11.218 1.00 54.54 ATOM 1792 CG ARG 109 2.289 -30.932 10.133 1.00 53.33 ATOM 1793 HG1 ARG 109 1.299 -31.323 9.946 1.00 37.85 ATOM 1794 HG2 ARG 109 2.629 -30.384 9.268 1.00 73.02 ATOM 1795 CD ARG 109 2.229 -29.982 11.320 1.00 22.11 ATOM 1796 HD1 ARG 109 1.906 -30.534 12.192 1.00 37.85 ATOM 1797 HD2 ARG 109 1.514 -29.202 11.104 1.00 53.22 ATOM 1798 NE ARG 109 3.529 -29.372 11.596 1.00 3.33 ATOM 1799 HE ARG 109 4.255 -29.552 10.968 1.00 10.43 ATOM 1800 CZ ARG 109 3.772 -28.605 12.618 1.00 54.43 ATOM 1801 NH1 ARG 109 2.839 -28.340 13.470 1.00 41.01 ATOM 1802 HH11 ARG 109 1.930 -28.722 13.344 1.00 43.54 ATOM 1803 HH12 ARG 109 3.033 -27.755 14.253 1.00 5.54 ATOM 1804 NH2 ARG 109 4.954 -28.105 12.787 1.00 51.55 ATOM 1805 HH21 ARG 109 5.681 -28.308 12.135 1.00 12.33 ATOM 1806 HH22 ARG 109 5.132 -27.510 13.570 1.00 31.43 ATOM 1807 C ARG 109 2.033 -33.531 8.707 1.00 4.33 ATOM 1808 O ARG 109 1.567 -34.584 9.133 1.00 50.24 ATOM 1809 N THR 110 1.394 -32.762 7.824 1.00 22.34 ATOM 1810 HN THR 110 1.820 -31.935 7.520 1.00 37.85 ATOM 1811 CA THR 110 0.074 -33.123 7.288 1.00 65.42 ATOM 1812 HA THR 110 -0.578 -33.335 8.126 1.00 43.14 ATOM 1813 CB THR 110 -0.542 -31.951 6.480 1.00 65.11 ATOM 1814 HB THR 110 0.123 -31.711 5.661 1.00 20.41 ATOM 1815 OG1 THR 110 -0.677 -30.793 7.324 1.00 73.43 ATOM 1816 HG1 THR 110 0.081 -30.210 7.195 1.00 22.00 ATOM 1817 CG2 THR 110 -1.909 -32.320 5.908 1.00 10.32 ATOM 1818 HG21 THR 110 -2.308 -31.481 5.357 1.00 12.02 ATOM 1819 HG22 THR 110 -2.580 -32.572 6.715 1.00 1.42 ATOM 1820 HG23 THR 110 -1.807 -33.169 5.246 1.00 45.35 ATOM 1821 C THR 110 0.163 -34.373 6.399 1.00 44.22 ATOM 1822 O THR 110 -0.660 -35.284 6.499 1.00 42.15 ATOM 1823 N GLN 111 1.179 -34.416 5.539 1.00 71.53 ATOM 1824 HN GLN 111 1.787 -33.649 5.483 1.00 37.85 ATOM 1825 CA GLN 111 1.412 -35.579 4.677 1.00 41.22 ATOM 1826 HA GLN 111 0.483 -35.806 4.171 1.00 35.44 ATOM 1827 CB GLN 111 2.483 -35.251 3.626 1.00 23.35 ATOM 1828 HB1 GLN 111 2.641 -36.121 3.004 1.00 37.85 ATOM 1829 HB2 GLN 111 3.408 -35.010 4.133 1.00 4.33 ATOM 1830 CG GLN 111 2.114 -34.076 2.721 1.00 65.10 ATOM 1831 HG1 GLN 111 2.920 -33.914 2.017 1.00 37.85 ATOM 1832 HG2 GLN 111 1.992 -33.193 3.331 1.00 33.21 ATOM 1833 CD GLN 111 0.830 -34.307 1.939 1.00 2.11 ATOM 1834 OE1 GLN 111 0.486 -35.432 1.593 1.00 63.21 ATOM 1835 NE2 GLN 111 0.105 -33.242 1.661 1.00 23.54 ATOM 1836 HE21 GLN 111 0.426 -32.372 1.965 1.00 0.24 ATOM 1837 HE22 GLN 111 -0.726 -33.371 1.161 1.00 73.34 ATOM 1838 C GLN 111 1.832 -36.803 5.509 1.00 32.53 ATOM 1839 O GLN 111 1.299 -37.903 5.336 1.00 30.25 ATOM 1840 N TYR 112 2.782 -36.599 6.422 1.00 71.12 ATOM 1841 HN TYR 112 3.214 -35.721 6.465 1.00 37.85 ATOM 1842 CA TYR 112 3.204 -37.645 7.361 1.00 44.22 ATOM 1843 HA TYR 112 3.668 -38.440 6.792 1.00 61.41 ATOM 1844 CB TYR 112 4.226 -37.071 8.358 1.00 32.23 ATOM 1845 HB1 TYR 112 3.730 -36.348 8.992 1.00 37.85 ATOM 1846 HB2 TYR 112 5.009 -36.571 7.807 1.00 45.40 ATOM 1847 CG TYR 112 4.882 -38.109 9.258 1.00 53.21 ATOM 1848 CD1 TYR 112 4.291 -38.506 10.455 1.00 42.13 ATOM 1849 HD1 TYR 112 3.343 -38.072 10.743 1.00 24.21 ATOM 1850 CD2 TYR 112 6.100 -38.685 8.911 1.00 0.21 ATOM 1851 HD2 TYR 112 6.574 -38.391 7.986 1.00 12.42 ATOM 1852 CE1 TYR 112 4.895 -39.441 11.275 1.00 20.03 ATOM 1853 HE1 TYR 112 4.420 -39.735 12.200 1.00 4.24 ATOM 1854 CE2 TYR 112 6.707 -39.622 9.725 1.00 42.13 ATOM 1855 HE2 TYR 112 7.652 -40.058 9.434 1.00 21.33 ATOM 1856 CZ TYR 112 6.101 -39.997 10.904 1.00 65.21 ATOM 1857 OH TYR 112 6.708 -40.927 11.717 1.00 4.10 ATOM 1858 HH TYR 112 6.038 -41.492 12.112 1.00 41.14 ATOM 1859 C TYR 112 1.986 -38.204 8.116 1.00 55.55 ATOM 1860 O TYR 112 1.845 -39.415 8.285 1.00 55.31 ATOM 1861 N MET 113 1.107 -37.297 8.544 1.00 4.42 ATOM 1862 HN MET 113 1.297 -36.349 8.381 1.00 37.85 ATOM 1863 CA MET 113 -0.128 -37.652 9.254 1.00 45.42 ATOM 1864 HA MET 113 0.147 -38.131 10.182 1.00 74.01 ATOM 1865 CB MET 113 -0.918 -36.376 9.569 1.00 62.03 ATOM 1866 HB1 MET 113 -1.243 -35.927 8.639 1.00 37.85 ATOM 1867 HB2 MET 113 -0.264 -35.681 10.077 1.00 52.42 ATOM 1868 CG MET 113 -2.141 -36.593 10.443 1.00 54.43 ATOM 1869 HG1 MET 113 -1.814 -36.892 11.430 1.00 37.85 ATOM 1870 HG2 MET 113 -2.746 -37.377 10.011 1.00 10.05 ATOM 1871 SD MET 113 -3.143 -35.099 10.593 1.00 40.13 ATOM 1872 CE MET 113 -1.929 -33.936 11.214 1.00 33.24 ATOM 1873 HE1 MET 113 -1.532 -34.295 12.152 1.00 14.15 ATOM 1874 HE2 MET 113 -2.397 -32.975 11.368 1.00 51.13 ATOM 1875 HE3 MET 113 -1.125 -33.833 10.499 1.00 1.31 ATOM 1876 C MET 113 -1.003 -38.616 8.433 1.00 52.25 ATOM 1877 O MET 113 -1.590 -39.554 8.975 1.00 53.04 ATOM 1878 N LYS 114 -1.090 -38.374 7.126 1.00 10.41 ATOM 1879 HN LYS 114 -0.607 -37.605 6.750 1.00 37.85 ATOM 1880 CA LYS 114 -1.900 -39.216 6.238 1.00 1.11 ATOM 1881 HA LYS 114 -2.885 -39.305 6.670 1.00 51.34 ATOM 1882 CB LYS 114 -2.026 -38.567 4.853 1.00 42.54 ATOM 1883 HB1 LYS 114 -2.564 -39.246 4.203 1.00 37.85 ATOM 1884 HB2 LYS 114 -1.034 -38.417 4.450 1.00 34.31 ATOM 1885 CG LYS 114 -2.750 -37.225 4.838 1.00 44.15 ATOM 1886 HG1 LYS 114 -2.226 -36.535 5.485 1.00 37.85 ATOM 1887 HG2 LYS 114 -3.760 -37.364 5.200 1.00 13.21 ATOM 1888 CD LYS 114 -2.801 -36.644 3.425 1.00 54.43 ATOM 1889 HD1 LYS 114 -1.790 -36.474 3.079 1.00 37.85 ATOM 1890 HD2 LYS 114 -3.334 -35.704 3.452 1.00 13.24 ATOM 1891 CE LYS 114 -3.509 -37.586 2.450 1.00 15.30 ATOM 1892 HE1 LYS 114 -4.545 -37.675 2.744 1.00 37.85 ATOM 1893 HE2 LYS 114 -3.039 -38.556 2.501 1.00 51.20 ATOM 1894 NZ LYS 114 -3.445 -37.099 1.045 1.00 70.43 ATOM 1895 HZ1 LYS 114 -2.461 -37.104 0.710 1.00 50.24 ATOM 1896 HZ2 LYS 114 -3.815 -36.129 0.979 1.00 45.44 ATOM 1897 HZ3 LYS 114 -4.010 -37.715 0.426 1.00 75.22 ATOM 1898 C LYS 114 -1.305 -40.623 6.062 1.00 73.05 ATOM 1899 O LYS 114 -1.989 -41.627 6.260 1.00 1.42 ATOM 1900 N TYR 115 -0.026 -40.686 5.700 1.00 14.45 ATOM 1901 HN TYR 115 0.521 -39.874 5.741 1.00 37.85 ATOM 1902 CA TYR 115 0.580 -41.941 5.236 1.00 45.33 ATOM 1903 HA TYR 115 -0.222 -42.606 4.953 1.00 42.42 ATOM 1904 CB TYR 115 1.441 -41.662 3.990 1.00 2.03 ATOM 1905 HB1 TYR 115 1.689 -42.601 3.513 1.00 37.85 ATOM 1906 HB2 TYR 115 2.354 -41.168 4.294 1.00 20.40 ATOM 1907 CG TYR 115 0.749 -40.779 2.957 1.00 3.21 ATOM 1908 CD1 TYR 115 -0.241 -41.285 2.120 1.00 1.10 ATOM 1909 HD1 TYR 115 -0.513 -42.327 2.197 1.00 75.34 ATOM 1910 CD2 TYR 115 1.079 -39.433 2.833 1.00 71.33 ATOM 1911 HD2 TYR 115 1.848 -39.020 3.471 1.00 45.21 ATOM 1912 CE1 TYR 115 -0.880 -40.477 1.196 1.00 70.13 ATOM 1913 HE1 TYR 115 -1.647 -40.891 0.556 1.00 30.04 ATOM 1914 CE2 TYR 115 0.447 -38.622 1.911 1.00 32.33 ATOM 1915 HE2 TYR 115 0.719 -37.580 1.834 1.00 23.40 ATOM 1916 CZ TYR 115 -0.533 -39.146 1.096 1.00 14.01 ATOM 1917 OH TYR 115 -1.169 -38.332 0.182 1.00 72.41 ATOM 1918 HH TYR 115 -0.509 -37.864 -0.341 1.00 72.15 ATOM 1919 C TYR 115 1.429 -42.638 6.316 1.00 54.13 ATOM 1920 O TYR 115 1.257 -43.827 6.584 1.00 21.20 ATOM 1921 N LEU 116 2.330 -41.895 6.947 1.00 4.12 ATOM 1922 HN LEU 116 2.321 -40.925 6.820 1.00 37.85 ATOM 1923 CA LEU 116 3.337 -42.495 7.834 1.00 22.42 ATOM 1924 HA LEU 116 3.486 -43.516 7.511 1.00 52.35 ATOM 1925 CB LEU 116 4.662 -41.743 7.678 1.00 50.52 ATOM 1926 HB1 LEU 116 5.382 -42.174 8.361 1.00 37.85 ATOM 1927 HB2 LEU 116 4.501 -40.710 7.958 1.00 70.22 ATOM 1928 CG LEU 116 5.266 -41.774 6.262 1.00 72.21 ATOM 1929 HG LEU 116 4.530 -41.408 5.556 1.00 42.43 ATOM 1930 CD1 LEU 116 6.490 -40.867 6.173 1.00 22.21 ATOM 1931 HD11 LEU 116 6.205 -39.852 6.410 1.00 34.43 ATOM 1932 HD12 LEU 116 6.892 -40.899 5.170 1.00 22.14 ATOM 1933 HD13 LEU 116 7.243 -41.202 6.873 1.00 30.04 ATOM 1934 CD2 LEU 116 5.628 -43.203 5.862 1.00 14.33 ATOM 1935 HD21 LEU 116 4.744 -43.825 5.901 1.00 2.54 ATOM 1936 HD22 LEU 116 6.374 -43.594 6.539 1.00 72.15 ATOM 1937 HD23 LEU 116 6.020 -43.205 4.855 1.00 23.44 ATOM 1938 C LEU 116 2.913 -42.517 9.315 1.00 12.44 ATOM 1939 O LEU 116 3.477 -43.273 10.110 1.00 12.34 ATOM 1940 N TYR 117 1.928 -41.699 9.690 1.00 24.20 ATOM 1941 HN TYR 117 1.499 -41.128 9.019 1.00 37.85 ATOM 1942 CA TYR 117 1.474 -41.638 11.089 1.00 32.33 ATOM 1943 HA TYR 117 2.341 -41.400 11.691 1.00 62.25 ATOM 1944 CB TYR 117 0.433 -40.524 11.289 1.00 70.51 ATOM 1945 HB1 TYR 117 -0.406 -40.701 10.632 1.00 37.85 ATOM 1946 HB2 TYR 117 0.881 -39.573 11.041 1.00 32.10 ATOM 1947 CG TYR 117 -0.092 -40.437 12.711 1.00 4.13 ATOM 1948 CD1 TYR 117 -1.333 -40.969 13.052 1.00 62.53 ATOM 1949 HD1 TYR 117 -1.932 -41.440 12.285 1.00 3.23 ATOM 1950 CD2 TYR 117 0.661 -39.835 13.717 1.00 40.13 ATOM 1951 HD2 TYR 117 1.626 -39.414 13.472 1.00 75.20 ATOM 1952 CE1 TYR 117 -1.807 -40.901 14.347 1.00 33.54 ATOM 1953 HE1 TYR 117 -2.774 -41.320 14.590 1.00 4.44 ATOM 1954 CE2 TYR 117 0.190 -39.763 15.015 1.00 14.31 ATOM 1955 HE2 TYR 117 0.789 -39.293 15.780 1.00 23.13 ATOM 1956 CZ TYR 117 -1.042 -40.300 15.324 1.00 13.54 ATOM 1957 OH TYR 117 -1.513 -40.235 16.614 1.00 2.23 ATOM 1958 HH TYR 117 -1.759 -41.119 16.902 1.00 3.22 ATOM 1959 C TYR 117 0.918 -42.994 11.573 1.00 65.31 ATOM 1960 O TYR 117 1.335 -43.490 12.623 1.00 30.43 ATOM 1961 N PRO 118 -0.022 -43.632 10.826 1.00 14.02 ATOM 1962 CA PRO 118 -0.514 -44.973 11.188 1.00 50.32 ATOM 1963 HA PRO 118 -1.133 -44.943 12.076 1.00 22.43 ATOM 1964 CB PRO 118 -1.364 -45.383 9.974 1.00 45.20 ATOM 1965 HB1 PRO 118 -2.209 -45.972 10.303 1.00 37.85 ATOM 1966 HB2 PRO 118 -0.763 -45.964 9.285 1.00 21.24 ATOM 1967 CG PRO 118 -1.801 -44.095 9.364 1.00 72.14 ATOM 1968 HG1 PRO 118 -2.705 -43.748 9.845 1.00 37.85 ATOM 1969 HG2 PRO 118 -1.970 -44.227 8.303 1.00 30.23 ATOM 1970 CD PRO 118 -0.677 -43.119 9.599 1.00 14.13 ATOM 1971 HD1 PRO 118 -1.070 -42.125 9.758 1.00 37.85 ATOM 1972 HD2 PRO 118 0.011 -43.124 8.766 1.00 44.35 ATOM 1973 C PRO 118 0.636 -45.970 11.399 1.00 23.31 ATOM 1974 O PRO 118 0.570 -46.850 12.256 1.00 72.24 ATOM 1975 N TYR 119 1.701 -45.800 10.618 1.00 10.12 ATOM 1976 HN TYR 119 1.708 -45.047 9.992 1.00 37.85 ATOM 1977 CA TYR 119 2.858 -46.694 10.659 1.00 41.13 ATOM 1978 HA TYR 119 2.488 -47.711 10.675 1.00 41.13 ATOM 1979 CB TYR 119 3.707 -46.496 9.394 1.00 15.14 ATOM 1980 HB1 TYR 119 4.344 -45.632 9.529 1.00 37.85 ATOM 1981 HB2 TYR 119 3.049 -46.316 8.556 1.00 23.51 ATOM 1982 CG TYR 119 4.593 -47.680 9.039 1.00 15.04 ATOM 1983 CD1 TYR 119 5.937 -47.718 9.399 1.00 33.32 ATOM 1984 HD1 TYR 119 6.357 -46.891 9.949 1.00 41.41 ATOM 1985 CD2 TYR 119 4.078 -48.761 8.328 1.00 73.42 ATOM 1986 HD2 TYR 119 3.038 -48.751 8.039 1.00 41.53 ATOM 1987 CE1 TYR 119 6.738 -48.794 9.057 1.00 12.02 ATOM 1988 HE1 TYR 119 7.780 -48.805 9.348 1.00 23.34 ATOM 1989 CE2 TYR 119 4.872 -49.838 7.986 1.00 50.12 ATOM 1990 HE2 TYR 119 4.452 -50.666 7.433 1.00 32.54 ATOM 1991 CZ TYR 119 6.200 -49.850 8.352 1.00 1.35 ATOM 1992 OH TYR 119 6.993 -50.920 8.008 1.00 44.21 ATOM 1993 HH TYR 119 6.859 -51.134 7.079 1.00 64.12 ATOM 1994 C TYR 119 3.712 -46.462 11.921 1.00 45.32 ATOM 1995 O TYR 119 4.196 -47.418 12.534 1.00 12.24 ATOM 1996 N GLU 120 3.900 -45.196 12.311 1.00 53.20 ATOM 1997 HN GLU 120 3.497 -44.466 11.789 1.00 37.85 ATOM 1998 CA GLU 120 4.700 -44.877 13.505 1.00 40.42 ATOM 1999 HA GLU 120 5.604 -45.471 13.444 1.00 65.22 ATOM 2000 CB GLU 120 5.098 -43.382 13.537 1.00 35.54 ATOM 2001 HB1 GLU 120 5.443 -43.104 12.550 1.00 37.85 ATOM 2002 HB2 GLU 120 5.919 -43.265 14.230 1.00 22.03 ATOM 2003 CG GLU 120 3.986 -42.405 13.946 1.00 63.24 ATOM 2004 HG1 GLU 120 3.034 -42.914 13.876 1.00 37.85 ATOM 2005 HG2 GLU 120 3.991 -41.571 13.260 1.00 52.51 ATOM 2006 CD GLU 120 4.146 -41.862 15.369 1.00 45.03 ATOM 2007 OE1 GLU 120 4.743 -40.772 15.536 1.00 32.32 ATOM 2008 OE2 GLU 120 3.675 -42.523 16.323 1.00 64.32 ATOM 2009 C GLU 120 3.961 -45.274 14.791 1.00 33.13 ATOM 2010 O GLU 120 4.578 -45.734 15.750 1.00 24.34 ATOM 2011 N CYS 121 2.640 -45.106 14.803 1.00 34.43 ATOM 2012 HN CYS 121 2.207 -44.678 14.033 1.00 37.85 ATOM 2013 CA CYS 121 1.818 -45.509 15.954 1.00 5.00 ATOM 2014 HA CYS 121 2.304 -45.146 16.849 1.00 10.30 ATOM 2015 CB CYS 121 0.421 -44.882 15.862 1.00 23.04 ATOM 2016 HB1 CYS 121 -0.172 -45.216 16.702 1.00 37.85 ATOM 2017 HB2 CYS 121 -0.052 -45.203 14.945 1.00 43.33 ATOM 2018 SG CYS 121 0.420 -43.075 15.873 1.00 63.44 ATOM 2019 HG CYS 121 1.659 -42.667 16.124 1.00 22.04 ATOM 2020 C CYS 121 1.690 -47.037 16.049 1.00 42.45 ATOM 2021 O CYS 121 1.558 -47.595 17.140 1.00 61.21 ATOM 2022 N GLU 122 1.726 -47.710 14.903 1.00 21.12 ATOM 2023 HN GLU 122 1.823 -47.214 14.063 1.00 37.85 ATOM 2024 CA GLU 122 1.602 -49.170 14.862 1.00 33.24 ATOM 2025 HA GLU 122 0.943 -49.465 15.667 1.00 43.31 ATOM 2026 CB GLU 122 0.970 -49.604 13.532 1.00 40.22 ATOM 2027 HB1 GLU 122 1.600 -49.262 12.721 1.00 37.85 ATOM 2028 HB2 GLU 122 0.001 -49.136 13.439 1.00 54.41 ATOM 2029 CG GLU 122 0.787 -51.111 13.390 1.00 21.05 ATOM 2030 HG1 GLU 122 1.763 -51.578 13.369 1.00 37.85 ATOM 2031 HG2 GLU 122 0.275 -51.314 12.460 1.00 54.03 ATOM 2032 CD GLU 122 -0.021 -51.716 14.530 1.00 74.30 ATOM 2033 OE1 GLU 122 -1.137 -51.222 14.803 1.00 2.14 ATOM 2034 OE2 GLU 122 0.455 -52.684 15.156 1.00 41.01 ATOM 2035 C GLU 122 2.956 -49.872 15.057 1.00 34.03 ATOM 2036 O GLU 122 3.209 -50.477 16.097 1.00 14.12 ATOM 2037 N LYS 123 3.827 -49.767 14.056 1.00 12.22 ATOM 2038 HN LYS 123 3.614 -49.174 13.305 1.00 37.85 ATOM 2039 CA LYS 123 5.097 -50.505 14.039 1.00 50.40 ATOM 2040 HA LYS 123 4.876 -51.542 14.253 1.00 62.24 ATOM 2041 CB LYS 123 5.723 -50.419 12.639 1.00 72.32 ATOM 2042 HB1 LYS 123 6.676 -50.930 12.648 1.00 37.85 ATOM 2043 HB2 LYS 123 5.891 -49.378 12.399 1.00 40.54 ATOM 2044 CG LYS 123 4.862 -51.027 11.531 1.00 25.45 ATOM 2045 HG1 LYS 123 5.337 -50.840 10.578 1.00 37.85 ATOM 2046 HG2 LYS 123 3.890 -50.554 11.546 1.00 3.21 ATOM 2047 CD LYS 123 4.676 -52.534 11.705 1.00 13.21 ATOM 2048 HD1 LYS 123 4.139 -52.717 12.626 1.00 37.85 ATOM 2049 HD2 LYS 123 5.648 -53.005 11.756 1.00 55.14 ATOM 2050 CE LYS 123 3.893 -53.147 10.545 1.00 10.22 ATOM 2051 HE1 LYS 123 4.413 -52.929 9.623 1.00 37.85 ATOM 2052 HE2 LYS 123 2.909 -52.700 10.515 1.00 54.34 ATOM 2053 NZ LYS 123 3.747 -54.622 10.680 1.00 71.00 ATOM 2054 HZ1 LYS 123 3.223 -54.855 11.549 1.00 3.03 ATOM 2055 HZ2 LYS 123 4.684 -55.074 10.723 1.00 20.13 ATOM 2056 HZ3 LYS 123 3.232 -55.008 9.863 1.00 11.54 ATOM 2057 C LYS 123 6.099 -49.991 15.088 1.00 11.23 ATOM 2058 O LYS 123 6.938 -50.749 15.579 1.00 71.35 ATOM 2059 N ARG 124 6.015 -48.704 15.427 1.00 32.33 ATOM 2060 HN ARG 124 5.291 -48.160 15.055 1.00 37.85 ATOM 2061 CA ARG 124 6.982 -48.089 16.351 1.00 32.32 ATOM 2062 HA ARG 124 7.799 -48.785 16.485 1.00 21.21 ATOM 2063 CB ARG 124 7.534 -46.790 15.739 1.00 75.41 ATOM 2064 HB1 ARG 124 6.823 -45.994 15.911 1.00 37.85 ATOM 2065 HB2 ARG 124 7.647 -46.928 14.673 1.00 11.05 ATOM 2066 CG ARG 124 8.883 -46.355 16.306 1.00 15.41 ATOM 2067 HG1 ARG 124 8.797 -46.257 17.380 1.00 37.85 ATOM 2068 HG2 ARG 124 9.151 -45.400 15.877 1.00 1.42 ATOM 2069 CD ARG 124 9.979 -47.364 15.986 1.00 21.22 ATOM 2070 HD1 ARG 124 9.770 -48.283 16.514 1.00 37.85 ATOM 2071 HD2 ARG 124 10.927 -46.966 16.319 1.00 70.20 ATOM 2072 NE ARG 124 10.056 -47.642 14.552 1.00 44.34 ATOM 2073 HE ARG 124 9.811 -46.923 13.937 1.00 11.23 ATOM 2074 CZ ARG 124 10.426 -48.786 14.044 1.00 21.43 ATOM 2075 NH1 ARG 124 10.741 -49.781 14.809 1.00 20.41 ATOM 2076 HH11 ARG 124 10.703 -49.680 15.803 1.00 63.33 ATOM 2077 HH12 ARG 124 11.018 -50.654 14.407 1.00 43.11 ATOM 2078 NH2 ARG 124 10.458 -48.932 12.761 1.00 15.15 ATOM 2079 HH21 ARG 124 10.200 -48.175 12.170 1.00 11.22 ATOM 2080 HH22 ARG 124 10.742 -49.805 12.364 1.00 11.32 ATOM 2081 C ARG 124 6.353 -47.801 17.728 1.00 22.50 ATOM 2082 O ARG 124 6.984 -48.015 18.766 1.00 42.50 ATOM 2083 N GLY 125 5.110 -47.319 17.723 1.00 42.45 ATOM 2084 HN GLY 125 4.652 -47.202 16.869 1.00 37.85 ATOM 2085 CA GLY 125 4.418 -46.972 18.963 1.00 15.52 ATOM 2086 HA1 GLY 125 4.480 -47.811 19.641 1.00 37.85 ATOM 2087 HA2 GLY 125 3.378 -46.786 18.737 1.00 54.34 ATOM 2088 C GLY 125 4.999 -45.736 19.650 1.00 51.11 ATOM 2089 O GLY 125 5.421 -45.805 20.808 1.00 63.12 ATOM 2090 N LEU 126 5.014 -44.601 18.945 1.00 33.23 ATOM 2091 HN LEU 126 4.601 -44.586 18.055 1.00 37.85 ATOM 2092 CA LEU 126 5.628 -43.371 19.467 1.00 74.13 ATOM 2093 HA LEU 126 6.319 -43.657 20.246 1.00 1.54 ATOM 2094 CB LEU 126 6.418 -42.657 18.361 1.00 52.14 ATOM 2095 HB1 LEU 126 6.754 -41.702 18.742 1.00 37.85 ATOM 2096 HB2 LEU 126 5.750 -42.476 17.531 1.00 73.30 ATOM 2097 CG LEU 126 7.643 -43.418 17.836 1.00 32.11 ATOM 2098 HG LEU 126 7.322 -44.372 17.440 1.00 34.53 ATOM 2099 CD1 LEU 126 8.314 -42.644 16.706 1.00 51.43 ATOM 2100 HD11 LEU 126 8.657 -41.687 17.077 1.00 73.35 ATOM 2101 HD12 LEU 126 7.604 -42.484 15.908 1.00 61.43 ATOM 2102 HD13 LEU 126 9.156 -43.207 16.331 1.00 53.12 ATOM 2103 CD2 LEU 126 8.632 -43.687 18.969 1.00 20.30 ATOM 2104 HD21 LEU 126 9.495 -44.208 18.580 1.00 21.30 ATOM 2105 HD22 LEU 126 8.159 -44.297 19.725 1.00 24.11 ATOM 2106 HD23 LEU 126 8.945 -42.750 19.407 1.00 23.33 ATOM 2107 C LEU 126 4.602 -42.403 20.071 1.00 11.34 ATOM 2108 O LEU 126 4.666 -42.093 21.263 1.00 0.20 ATOM 2109 N SER 127 3.663 -41.923 19.256 1.00 0.25 ATOM 2110 HN SER 127 3.592 -42.280 18.341 1.00 37.85 ATOM 2111 CA SER 127 2.735 -40.861 19.688 1.00 22.24 ATOM 2112 HA SER 127 3.128 -40.426 20.597 1.00 52.33 ATOM 2113 CB SER 127 2.661 -39.764 18.615 1.00 41.21 ATOM 2114 HB1 SER 127 2.119 -38.919 19.013 1.00 37.85 ATOM 2115 HB2 SER 127 2.142 -40.140 17.749 1.00 75.10 ATOM 2116 OG SER 127 3.954 -39.325 18.213 1.00 22.24 ATOM 2117 HG SER 127 4.285 -39.913 17.518 1.00 2.20 ATOM 2118 C SER 127 1.312 -41.384 19.972 1.00 11.40 ATOM 2119 O SER 127 1.016 -42.566 19.783 1.00 23.02 ATOM 2120 N ASN 128 0.441 -40.487 20.453 1.00 41.20 ATOM 2121 HN ASN 128 0.772 -39.598 20.705 1.00 37.85 ATOM 2122 CA ASN 128 -0.989 -40.790 20.637 1.00 41.24 ATOM 2123 HA ASN 128 -1.177 -41.786 20.260 1.00 74.31 ATOM 2124 CB ASN 128 -1.385 -40.726 22.120 1.00 62.45 ATOM 2125 HB1 ASN 128 -2.378 -41.138 22.235 1.00 37.85 ATOM 2126 HB2 ASN 128 -1.398 -39.693 22.434 1.00 70.51 ATOM 2127 CG ASN 128 -0.447 -41.485 23.035 1.00 74.50 ATOM 2128 OD1 ASN 128 -0.619 -42.676 23.283 1.00 11.45 ATOM 2129 ND2 ASN 128 0.542 -40.791 23.559 1.00 51.33 ATOM 2130 HD21 ASN 128 0.614 -39.844 23.324 1.00 20.40 ATOM 2131 HD22 ASN 128 1.153 -41.242 24.168 1.00 63.05 ATOM 2132 C ASN 128 -1.862 -39.782 19.863 1.00 73.24 ATOM 2133 O ASN 128 -1.510 -38.603 19.756 1.00 54.14 ATOM 2134 N PRO 129 -3.030 -40.216 19.344 1.00 51.02 ATOM 2135 CA PRO 129 -3.964 -39.319 18.634 1.00 42.24 ATOM 2136 HA PRO 129 -3.497 -38.888 17.760 1.00 73.54 ATOM 2137 CB PRO 129 -5.107 -40.257 18.199 1.00 52.34 ATOM 2138 HB1 PRO 129 -4.975 -40.531 17.161 1.00 37.85 ATOM 2139 HB2 PRO 129 -6.059 -39.759 18.322 1.00 21.43 ATOM 2140 CG PRO 129 -4.992 -41.450 19.092 1.00 53.30 ATOM 2141 HG1 PRO 129 -5.367 -42.329 18.586 1.00 37.85 ATOM 2142 HG2 PRO 129 -5.544 -41.281 20.007 1.00 11.35 ATOM 2143 CD PRO 129 -3.525 -41.604 19.388 1.00 25.23 ATOM 2144 HD1 PRO 129 -3.045 -42.208 18.631 1.00 37.85 ATOM 2145 HD2 PRO 129 -3.378 -42.036 20.369 1.00 11.02 ATOM 2146 C PRO 129 -4.493 -38.180 19.530 1.00 44.13 ATOM 2147 O PRO 129 -4.877 -37.116 19.039 1.00 32.21 ATOM 2148 N ASN 130 -4.500 -38.403 20.845 1.00 53.03 ATOM 2149 HN ASN 130 -4.203 -39.275 21.181 1.00 37.85 ATOM 2150 CA ASN 130 -4.950 -37.383 21.801 1.00 13.10 ATOM 2151 HA ASN 130 -5.926 -37.040 21.486 1.00 34.40 ATOM 2152 CB ASN 130 -5.066 -37.983 23.208 1.00 21.15 ATOM 2153 HB1 ASN 130 -5.392 -37.215 23.897 1.00 37.85 ATOM 2154 HB2 ASN 130 -4.098 -38.347 23.517 1.00 23.43 ATOM 2155 CG ASN 130 -6.054 -39.134 23.277 1.00 70.13 ATOM 2156 OD1 ASN 130 -7.033 -39.180 22.537 1.00 3.21 ATOM 2157 ND2 ASN 130 -5.804 -40.073 24.166 1.00 32.41 ATOM 2158 HD21 ASN 130 -5.006 -39.982 24.728 1.00 32.15 ATOM 2159 HD22 ASN 130 -6.426 -40.828 24.226 1.00 70.32 ATOM 2160 C ASN 130 -3.987 -36.184 21.829 1.00 32.22 ATOM 2161 O ASN 130 -4.355 -35.067 21.457 1.00 71.03 ATOM 2162 N GLU 131 -2.748 -36.434 22.253 1.00 10.45 ATOM 2163 HN GLU 131 -2.514 -37.350 22.516 1.00 37.85 ATOM 2164 CA GLU 131 -1.724 -35.385 22.360 1.00 33.34 ATOM 2165 HA GLU 131 -2.093 -34.644 23.055 1.00 21.32 ATOM 2166 CB GLU 131 -0.423 -35.980 22.923 1.00 2.41 ATOM 2167 HB1 GLU 131 -0.644 -36.470 23.862 1.00 37.85 ATOM 2168 HB2 GLU 131 0.278 -35.182 23.107 1.00 12.44 ATOM 2169 CG GLU 131 0.249 -36.996 22.007 1.00 55.31 ATOM 2170 HG1 GLU 131 0.570 -36.492 21.107 1.00 37.85 ATOM 2171 HG2 GLU 131 -0.473 -37.758 21.751 1.00 3.13 ATOM 2172 CD GLU 131 1.458 -37.666 22.643 1.00 4.23 ATOM 2173 OE1 GLU 131 2.016 -37.118 23.616 1.00 74.32 ATOM 2174 OE2 GLU 131 1.848 -38.752 22.179 1.00 12.33 ATOM 2175 C GLU 131 -1.462 -34.694 21.006 1.00 34.41 ATOM 2176 O GLU 131 -1.162 -33.499 20.955 1.00 64.23 ATOM 2177 N LEU 132 -1.584 -35.456 19.915 1.00 70.21 ATOM 2178 HN LEU 132 -1.821 -36.401 20.027 1.00 37.85 ATOM 2179 CA LEU 132 -1.360 -34.939 18.556 1.00 62.33 ATOM 2180 HA LEU 132 -0.300 -34.750 18.451 1.00 2.21 ATOM 2181 CB LEU 132 -1.775 -36.002 17.525 1.00 74.54 ATOM 2182 HB1 LEU 132 -2.822 -36.224 17.675 1.00 37.85 ATOM 2183 HB2 LEU 132 -1.207 -36.902 17.721 1.00 35.10 ATOM 2184 CG LEU 132 -1.575 -35.618 16.048 1.00 0.23 ATOM 2185 HG LEU 132 -2.094 -34.690 15.855 1.00 13.25 ATOM 2186 CD1 LEU 132 -0.097 -35.395 15.736 1.00 22.31 ATOM 2187 HD11 LEU 132 0.287 -34.601 16.360 1.00 22.20 ATOM 2188 HD12 LEU 132 0.014 -35.121 14.697 1.00 54.22 ATOM 2189 HD13 LEU 132 0.456 -36.303 15.929 1.00 21.04 ATOM 2190 CD2 LEU 132 -2.167 -36.686 15.128 1.00 0.30 ATOM 2191 HD21 LEU 132 -3.221 -36.797 15.336 1.00 35.32 ATOM 2192 HD22 LEU 132 -1.666 -37.629 15.297 1.00 2.14 ATOM 2193 HD23 LEU 132 -2.033 -36.389 14.097 1.00 13.31 ATOM 2194 C LEU 132 -2.123 -33.624 18.288 1.00 31.31 ATOM 2195 O LEU 132 -1.533 -32.630 17.859 1.00 13.41 ATOM 2196 N GLN 133 -3.432 -33.619 18.545 1.00 13.12 ATOM 2197 HN GLN 133 -3.850 -34.427 18.912 1.00 37.85 ATOM 2198 CA GLN 133 -4.263 -32.433 18.291 1.00 71.41 ATOM 2199 HA GLN 133 -4.139 -32.172 17.249 1.00 30.31 ATOM 2200 CB GLN 133 -5.745 -32.753 18.541 1.00 41.24 ATOM 2201 HB1 GLN 133 -5.864 -33.063 19.570 1.00 37.85 ATOM 2202 HB2 GLN 133 -6.036 -33.571 17.897 1.00 41.22 ATOM 2203 CG GLN 133 -6.701 -31.584 18.283 1.00 22.22 ATOM 2204 HG1 GLN 133 -6.477 -30.796 18.988 1.00 37.85 ATOM 2205 HG2 GLN 133 -7.714 -31.925 18.444 1.00 71.11 ATOM 2206 CD GLN 133 -6.603 -31.016 16.871 1.00 40.31 ATOM 2207 OE1 GLN 133 -7.264 -31.480 15.950 1.00 41.41 ATOM 2208 NE2 GLN 133 -5.796 -29.988 16.696 1.00 53.15 ATOM 2209 HE21 GLN 133 -5.305 -29.649 17.471 1.00 45.01 ATOM 2210 HE22 GLN 133 -5.734 -29.599 15.799 1.00 62.02 ATOM 2211 C GLN 133 -3.816 -31.233 19.145 1.00 10.30 ATOM 2212 O GLN 133 -3.861 -30.091 18.689 1.00 12.04 ATOM 2213 N ALA 134 -3.372 -31.494 20.376 1.00 23.41 ATOM 2214 HN ALA 134 -3.389 -32.418 20.705 1.00 37.85 ATOM 2215 CA ALA 134 -2.853 -30.430 21.247 1.00 0.21 ATOM 2216 HA ALA 134 -3.624 -29.675 21.344 1.00 4.04 ATOM 2217 CB ALA 134 -2.549 -30.979 22.636 1.00 63.31 ATOM 2218 HB1 ALA 134 -2.242 -30.172 23.286 1.00 74.22 ATOM 2219 HB2 ALA 134 -1.755 -31.708 22.569 1.00 61.04 ATOM 2220 HB3 ALA 134 -3.434 -31.449 23.040 1.00 73.30 ATOM 2221 C ALA 134 -1.597 -29.785 20.643 1.00 25.51 ATOM 2222 O ALA 134 -1.445 -28.561 20.650 1.00 11.12 ATOM 2223 N ALA 135 -0.707 -30.623 20.120 1.00 71.13 ATOM 2224 HN ALA 135 -0.872 -31.589 20.189 1.00 37.85 ATOM 2225 CA ALA 135 0.518 -30.159 19.457 1.00 32.12 ATOM 2226 HA ALA 135 1.098 -29.595 20.174 1.00 33.34 ATOM 2227 CB ALA 135 1.345 -31.363 19.017 1.00 73.34 ATOM 2228 HB1 ALA 135 2.291 -31.025 18.619 1.00 25.55 ATOM 2229 HB2 ALA 135 0.807 -31.907 18.249 1.00 2.04 ATOM 2230 HB3 ALA 135 1.519 -32.012 19.862 1.00 61.32 ATOM 2231 C ALA 135 0.207 -29.268 18.244 1.00 75.25 ATOM 2232 O ALA 135 0.707 -28.144 18.123 1.00 4.20 ATOM 2233 N ILE 136 -0.626 -29.791 17.350 1.00 13.20 ATOM 2234 HN ILE 136 -1.006 -30.680 17.527 1.00 37.85 ATOM 2235 CA ILE 136 -0.992 -29.102 16.110 1.00 75.33 ATOM 2236 HA ILE 136 -0.080 -28.863 15.579 1.00 4.51 ATOM 2237 CB ILE 136 -1.844 -30.032 15.214 1.00 75.23 ATOM 2238 HB ILE 136 -2.764 -30.253 15.737 1.00 3.11 ATOM 2239 CG1 ILE 136 -1.089 -31.345 14.956 1.00 11.12 ATOM 2240 HG11 ILE 136 -0.704 -31.720 15.896 1.00 37.85 ATOM 2241 HG12 ILE 136 -0.262 -31.156 14.286 1.00 74.52 ATOM 2242 CG2 ILE 136 -2.204 -29.345 13.895 1.00 51.42 ATOM 2243 HG21 ILE 136 -2.775 -28.451 14.096 1.00 24.40 ATOM 2244 HG22 ILE 136 -2.793 -30.017 13.288 1.00 75.23 ATOM 2245 HG23 ILE 136 -1.299 -29.082 13.365 1.00 21.02 ATOM 2246 CD1 ILE 136 -1.940 -32.431 14.339 1.00 5.01 ATOM 2247 HD11 ILE 136 -2.338 -32.090 13.394 1.00 21.43 ATOM 2248 HD12 ILE 136 -2.752 -32.675 15.008 1.00 33.04 ATOM 2249 HD13 ILE 136 -1.333 -33.310 14.178 1.00 55.11 ATOM 2250 C ILE 136 -1.766 -27.803 16.378 1.00 3.11 ATOM 2251 O ILE 136 -1.439 -26.751 15.826 1.00 1.51 ATOM 2252 N ASP 137 -2.784 -27.879 17.233 1.00 22.41 ATOM 2253 HN ASP 137 -2.971 -28.733 17.677 1.00 37.85 ATOM 2254 CA ASP 137 -3.634 -26.722 17.527 1.00 13.32 ATOM 2255 HA ASP 137 -4.040 -26.373 16.588 1.00 42.22 ATOM 2256 CB ASP 137 -4.792 -27.138 18.441 1.00 51.05 ATOM 2257 HB1 ASP 137 -4.421 -27.267 19.450 1.00 37.85 ATOM 2258 HB2 ASP 137 -5.199 -28.077 18.093 1.00 14.15 ATOM 2259 CG ASP 137 -5.909 -26.110 18.460 1.00 33.12 ATOM 2260 OD1 ASP 137 -6.671 -26.034 17.472 1.00 10.53 ATOM 2261 OD2 ASP 137 -6.039 -25.378 19.460 1.00 13.45 ATOM 2262 C ASP 137 -2.820 -25.578 18.159 1.00 33.41 ATOM 2263 O ASP 137 -3.100 -24.401 17.925 1.00 63.43 ATOM 2264 N SER 138 -1.806 -25.931 18.951 1.00 52.13 ATOM 2265 HN SER 138 -1.684 -26.879 19.177 1.00 37.85 ATOM 2266 CA SER 138 -0.876 -24.935 19.504 1.00 63.34 ATOM 2267 HA SER 138 -1.458 -24.229 20.082 1.00 31.42 ATOM 2268 CB SER 138 0.157 -25.600 20.424 1.00 71.24 ATOM 2269 HB1 SER 138 0.856 -24.855 20.776 1.00 37.85 ATOM 2270 HB2 SER 138 0.691 -26.360 19.872 1.00 13.41 ATOM 2271 OG SER 138 -0.464 -26.209 21.548 1.00 52.15 ATOM 2272 HG SER 138 -0.361 -27.169 21.490 1.00 21.51 ATOM 2273 C SER 138 -0.157 -24.178 18.378 1.00 23.41 ATOM 2274 O SER 138 -0.055 -22.953 18.409 1.00 33.22 ATOM 2275 N ASN 139 0.324 -24.919 17.374 1.00 30.25 ATOM 2276 HN ASN 139 0.228 -25.896 17.415 1.00 37.85 ATOM 2277 CA ASN 139 0.972 -24.312 16.200 1.00 75.10 ATOM 2278 HA ASN 139 1.757 -23.661 16.560 1.00 53.33 ATOM 2279 CB ASN 139 1.593 -25.395 15.305 1.00 13.24 ATOM 2280 HB1 ASN 139 1.876 -24.953 14.360 1.00 37.85 ATOM 2281 HB2 ASN 139 0.857 -26.167 15.125 1.00 73.21 ATOM 2282 CG ASN 139 2.828 -26.051 15.912 1.00 33.02 ATOM 2283 OD1 ASN 139 3.710 -26.515 15.194 1.00 55.34 ATOM 2284 ND2 ASN 139 2.909 -26.107 17.226 1.00 73.43 ATOM 2285 HD21 ASN 139 2.182 -25.729 17.756 1.00 45.50 ATOM 2286 HD22 ASN 139 3.695 -26.538 17.616 1.00 2.23 ATOM 2287 C ASN 139 -0.033 -23.469 15.395 1.00 55.14 ATOM 2288 O ASN 139 0.327 -22.462 14.791 1.00 41.45 ATOM 2289 N ARG 140 -1.296 -23.896 15.391 1.00 44.41 ATOM 2290 HN ARG 140 -1.508 -24.755 15.815 1.00 37.85 ATOM 2291 CA ARG 140 -2.376 -23.124 14.760 1.00 70.43 ATOM 2292 HA ARG 140 -2.093 -22.938 13.733 1.00 72.35 ATOM 2293 CB ARG 140 -3.684 -23.927 14.781 1.00 62.21 ATOM 2294 HB1 ARG 140 -4.491 -23.287 14.451 1.00 37.85 ATOM 2295 HB2 ARG 140 -3.882 -24.238 15.797 1.00 41.45 ATOM 2296 CG ARG 140 -3.673 -25.172 13.899 1.00 33.32 ATOM 2297 HG1 ARG 140 -4.546 -25.767 14.125 1.00 37.85 ATOM 2298 HG2 ARG 140 -2.783 -25.746 14.114 1.00 53.34 ATOM 2299 CD ARG 140 -3.687 -24.827 12.410 1.00 62.53 ATOM 2300 HD1 ARG 140 -3.745 -25.745 11.841 1.00 37.85 ATOM 2301 HD2 ARG 140 -2.770 -24.313 12.162 1.00 33.31 ATOM 2302 NE ARG 140 -4.819 -23.970 12.046 1.00 64.10 ATOM 2303 HE ARG 140 -4.619 -23.061 11.750 1.00 62.04 ATOM 2304 CZ ARG 140 -6.074 -24.343 12.079 1.00 41.22 ATOM 2305 NH1 ARG 140 -6.410 -25.526 12.487 1.00 4.40 ATOM 2306 HH11 ARG 140 -5.712 -26.171 12.778 1.00 24.52 ATOM 2307 HH12 ARG 140 -7.372 -25.783 12.522 1.00 41.30 ATOM 2308 NH2 ARG 140 -7.000 -23.518 11.712 1.00 22.23 ATOM 2309 HH21 ARG 140 -6.757 -22.598 11.406 1.00 74.35 ATOM 2310 HH22 ARG 140 -7.956 -23.803 11.732 1.00 74.12 ATOM 2311 C ARG 140 -2.587 -21.772 15.467 1.00 53.44 ATOM 2312 O ARG 140 -2.969 -20.781 14.840 1.00 44.12 ATOM 2313 N ARG 141 -2.349 -21.750 16.779 1.00 63.11 ATOM 2314 HN ARG 141 -2.098 -22.586 17.226 1.00 37.85 ATOM 2315 CA ARG 141 -2.454 -20.523 17.581 1.00 14.25 ATOM 2316 HA ARG 141 -3.323 -19.977 17.240 1.00 75.01 ATOM 2317 CB ARG 141 -2.650 -20.894 19.062 1.00 72.55 ATOM 2318 HB1 ARG 141 -1.816 -21.506 19.379 1.00 37.85 ATOM 2319 HB2 ARG 141 -3.558 -21.473 19.154 1.00 25.22 ATOM 2320 CG ARG 141 -2.752 -19.697 20.007 1.00 42.42 ATOM 2321 HG1 ARG 141 -3.574 -19.071 19.690 1.00 37.85 ATOM 2322 HG2 ARG 141 -1.831 -19.134 19.959 1.00 42.43 ATOM 2323 CD ARG 141 -2.988 -20.130 21.451 1.00 3.33 ATOM 2324 HD1 ARG 141 -2.244 -20.867 21.722 1.00 37.85 ATOM 2325 HD2 ARG 141 -3.973 -20.573 21.525 1.00 32.42 ATOM 2326 NE ARG 141 -2.902 -19.006 22.384 1.00 3.43 ATOM 2327 HE ARG 141 -2.431 -18.203 22.084 1.00 3.31 ATOM 2328 CZ ARG 141 -3.397 -19.012 23.592 1.00 43.51 ATOM 2329 NH1 ARG 141 -4.052 -20.035 24.034 1.00 25.24 ATOM 2330 HH11 ARG 141 -4.186 -20.832 23.456 1.00 63.12 ATOM 2331 HH12 ARG 141 -4.429 -20.018 24.960 1.00 52.03 ATOM 2332 NH2 ARG 141 -3.249 -17.987 24.359 1.00 4.02 ATOM 2333 HH21 ARG 141 -2.757 -17.181 24.033 1.00 10.35 ATOM 2334 HH22 ARG 141 -3.627 -18.004 25.282 1.00 72.44 ATOM 2335 C ARG 141 -1.210 -19.630 17.403 1.00 3.25 ATOM 2336 O ARG 141 -1.193 -18.467 17.817 1.00 20.02 ATOM 2337 N GLU 142 -0.169 -20.178 16.780 1.00 71.15 ATOM 2338 HN GLU 142 -0.230 -21.109 16.480 1.00 37.85 ATOM 2339 CA GLU 142 1.065 -19.431 16.527 1.00 33.12 ATOM 2340 HA GLU 142 1.096 -18.605 17.225 1.00 63.21 ATOM 2341 CB GLU 142 2.287 -20.324 16.778 1.00 2.31 ATOM 2342 HB1 GLU 142 3.182 -19.777 16.510 1.00 37.85 ATOM 2343 HB2 GLU 142 2.213 -21.204 16.153 1.00 54.32 ATOM 2344 CG GLU 142 2.418 -20.772 18.231 1.00 72.31 ATOM 2345 HG1 GLU 142 1.543 -21.354 18.495 1.00 37.85 ATOM 2346 HG2 GLU 142 2.464 -19.895 18.860 1.00 31.25 ATOM 2347 CD GLU 142 3.658 -21.610 18.484 1.00 55.54 ATOM 2348 OE1 GLU 142 4.772 -21.041 18.490 1.00 50.14 ATOM 2349 OE2 GLU 142 3.530 -22.834 18.699 1.00 41.42 ATOM 2350 C GLU 142 1.092 -18.858 15.098 1.00 33.52 ATOM 2351 O GLU 142 1.258 -19.582 14.112 1.00 74.41 ATOM 2352 N GLY 143 0.924 -17.543 15.008 1.00 43.24 ATOM 2353 HN GLY 143 0.841 -17.022 15.833 1.00 37.85 ATOM 2354 CA GLY 143 0.869 -16.863 13.717 1.00 61.13 ATOM 2355 HA1 GLY 143 0.466 -17.540 12.976 1.00 37.85 ATOM 2356 HA2 GLY 143 1.872 -16.583 13.426 1.00 12.41 ATOM 2357 C GLY 143 0.002 -15.609 13.764 1.00 44.35 ATOM 2358 O GLY 143 -0.816 -15.372 12.870 1.00 21.20 ATOM 2359 N ARG 144 0.186 -14.806 14.814 1.00 61.41 ATOM 2360 HN ARG 144 0.880 -15.036 15.469 1.00 37.85 ATOM 2361 CA ARG 144 -0.598 -13.582 15.020 1.00 64.32 ATOM 2362 HA ARG 144 -1.088 -13.339 14.086 1.00 64.24 ATOM 2363 CB ARG 144 -1.670 -13.801 16.099 1.00 44.51 ATOM 2364 HB1 ARG 144 -2.115 -12.846 16.349 1.00 37.85 ATOM 2365 HB2 ARG 144 -1.195 -14.204 16.983 1.00 72.52 ATOM 2366 CG ARG 144 -2.786 -14.753 15.682 1.00 1.45 ATOM 2367 HG1 ARG 144 -2.362 -15.730 15.496 1.00 37.85 ATOM 2368 HG2 ARG 144 -3.243 -14.381 14.777 1.00 22.34 ATOM 2369 CD ARG 144 -3.857 -14.875 16.761 1.00 71.43 ATOM 2370 HD1 ARG 144 -4.165 -13.882 17.061 1.00 37.85 ATOM 2371 HD2 ARG 144 -3.434 -15.389 17.611 1.00 10.14 ATOM 2372 NE ARG 144 -5.032 -15.613 16.296 1.00 25.45 ATOM 2373 HE ARG 144 -5.173 -15.677 15.331 1.00 31.14 ATOM 2374 CZ ARG 144 -5.915 -16.158 17.088 1.00 55.12 ATOM 2375 NH1 ARG 144 -5.736 -16.158 18.373 1.00 12.35 ATOM 2376 HH11 ARG 144 -4.916 -15.742 18.764 1.00 60.22 ATOM 2377 HH12 ARG 144 -6.417 -16.573 18.970 1.00 10.01 ATOM 2378 NH2 ARG 144 -6.967 -16.726 16.592 1.00 1.31 ATOM 2379 HH21 ARG 144 -7.107 -16.746 15.604 1.00 74.12 ATOM 2380 HH22 ARG 144 -7.639 -17.146 17.199 1.00 14.42 ATOM 2381 C ARG 144 0.297 -12.403 15.423 1.00 74.33 ATOM 2382 O ARG 144 1.303 -12.579 16.114 1.00 30.13 ATOM 2383 N ARG 145 -0.087 -11.202 14.998 1.00 64.14 ATOM 2384 HN ARG 145 -0.894 -11.133 14.452 1.00 37.85 ATOM 2385 HA ARG 145 1.681 -10.295 15.547 1.00 53.24 ATOM 2386 CB ARG 145 0.730 -9.022 14.109 1.00 31.21 ATOM 2387 HB1 ARG 145 1.646 -9.227 13.566 1.00 37.85 ATOM 2388 HB2 ARG 145 0.776 -8.005 14.473 1.00 32.55 ATOM 2389 CG ARG 145 -0.438 -9.111 13.111 1.00 24.24 ATOM 2390 HG1 ARG 145 -0.655 -10.155 12.929 1.00 37.85 ATOM 2391 HG2 ARG 145 -0.132 -8.649 12.184 1.00 3.32 ATOM 2392 CD ARG 145 -1.715 -8.416 13.598 1.00 70.34 ATOM 2393 HD1 ARG 145 -2.190 -7.935 12.754 1.00 37.85 ATOM 2394 HD2 ARG 145 -1.448 -7.665 14.328 1.00 25.24 ATOM 2395 NE ARG 145 -2.670 -9.343 14.207 1.00 32.30 ATOM 2396 HE ARG 145 -2.505 -10.300 14.105 1.00 31.14 ATOM 2397 CZ ARG 145 -3.743 -8.970 14.851 1.00 73.32 ATOM 2398 NH1 ARG 145 -4.010 -7.716 15.032 1.00 52.31 ATOM 2399 HH11 ARG 145 -3.390 -7.018 14.682 1.00 41.52 ATOM 2400 HH12 ARG 145 -4.842 -7.453 15.516 1.00 71.21 ATOM 2401 NH2 ARG 145 -4.554 -9.860 15.315 1.00 61.05 ATOM 2402 HH21 ARG 145 -4.359 -10.829 15.175 1.00 30.22 ATOM 2403 HH22 ARG 145 -5.367 -9.580 15.819 1.00 54.12 ATOM 2404 CA ARG 145 0.667 -9.979 15.325 1.00 10.43 ATOM 2405 C ARG 145 0.121 -9.268 16.588 1.00 35.43 ATOM 2406 OT1 ARG 145 0.776 -9.362 17.651 1.00 37.85 ATOM 2407 OT2 ARG 145 -0.960 -8.647 16.526 1.00 37.85 ATOM 2408 OH2 TIP3 1 2.439 -53.140 -7.872 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 3.003 -52.664 -7.222 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 1.754 -52.478 -8.124 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -3.634 -49.585 -6.401 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -2.875 -49.496 -7.020 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.295 -50.153 -5.690 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 0.882 -50.564 -14.949 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 0.018 -50.521 -14.482 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 1.021 -49.643 -15.264 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 3.604 -48.929 -11.323 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 3.359 -48.716 -12.245 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 3.159 -49.787 -11.150 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -5.446 -48.903 -11.297 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -4.855 -49.589 -10.907 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -6.121 -48.750 -10.604 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -1.500 -49.543 -14.027 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -1.749 -48.772 -14.557 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -2.198 -49.614 -13.365 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 0.596 -51.391 -9.009 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -0.098 -50.710 -8.915 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 1.052 -51.156 -9.837 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -1.763 -53.962 -0.757 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -1.060 -53.823 -0.097 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -2.258 -53.116 -0.767 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -7.750 -57.222 -3.085 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -6.781 -57.345 -3.046 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -7.932 -56.582 -2.393 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 1.083 -57.695 9.350 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 1.432 -56.961 8.819 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 1.299 -58.491 8.825 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -7.883 -52.008 -3.155 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -7.478 -52.396 -3.939 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -8.604 -51.438 -3.515 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -3.418 -53.047 -8.889 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -3.543 -53.856 -9.407 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -2.744 -53.290 -8.230 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -5.810 -60.137 7.291 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -5.174 -59.858 7.987 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -6.332 -59.340 7.119 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -8.780 -50.057 0.796 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -9.590 -50.245 1.296 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -8.094 -49.960 1.484 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -9.393 -55.775 4.213 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -10.357 -55.782 4.193 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -9.174 -55.624 5.165 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -9.559 -50.199 -4.321 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -9.001 -49.386 -4.248 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -10.086 -50.051 -5.110 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -15.699 -48.543 7.609 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -15.947 -48.453 8.551 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -16.495 -48.876 7.187 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -1.363 -54.131 -7.248 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -1.802 -54.166 -6.361 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -0.485 -54.552 -7.098 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -8.110 -47.931 -4.012 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -7.842 -46.995 -4.108 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -7.722 -48.204 -3.158 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -2.554 -51.383 -4.272 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -1.946 -51.457 -5.044 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -2.067 -50.803 -3.642 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -2.121 -47.403 -4.598 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -1.802 -47.574 -5.522 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -1.676 -46.568 -4.344 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -3.488 -60.110 4.376 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -3.937 -60.844 4.845 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -2.684 -60.519 4.005 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -4.877 -62.099 5.676 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -5.159 -61.462 6.382 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -5.706 -62.444 5.329 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -5.718 -56.095 -0.247 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -5.405 -56.552 -1.053 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -6.068 -55.241 -0.579 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -7.716 -55.559 2.045 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -8.341 -55.590 2.799 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -8.273 -55.395 1.282 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 1.457 -51.062 -5.470 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 1.247 -50.354 -4.845 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 0.591 -51.292 -5.868 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -9.104 -58.522 -5.101 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -9.374 -59.282 -4.590 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -8.606 -57.970 -4.465 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -10.952 -52.042 5.227 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -9.993 -51.894 5.356 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -11.196 -52.644 5.959 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -6.602 -53.752 -1.366 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -7.237 -53.229 -1.893 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -5.779 -53.251 -1.426 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -2.445 -54.148 -4.774 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -1.938 -54.596 -4.064 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -2.580 -53.240 -4.436 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -6.231 -48.881 -6.590 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -5.337 -49.292 -6.551 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -6.314 -48.422 -5.733 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -2.545 -63.290 4.830 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -3.344 -62.911 5.260 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -2.582 -64.226 5.049 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -4.978 -57.016 -2.802 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -4.758 -56.344 -3.459 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -4.184 -57.599 -2.785 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -15.331 -52.755 8.386 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -15.799 -53.582 8.233 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -14.825 -52.607 7.551 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -1.021 -51.485 -6.474 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -1.053 -52.300 -7.013 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -1.166 -50.757 -7.129 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -11.453 -53.771 7.334 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -11.748 -53.484 8.231 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -10.772 -54.437 7.509 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -8.747 -55.671 6.829 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -8.033 -56.299 7.040 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -8.480 -54.843 7.287 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -3.890 -58.872 8.789 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -3.634 -58.471 7.935 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -3.048 -58.928 9.289 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -7.160 -57.564 4.347 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -8.004 -57.084 4.310 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -6.885 -57.494 5.286 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -2.396 -57.952 -3.124 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -1.774 -58.438 -3.700 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -1.940 -57.102 -2.948 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -1.124 -55.541 -2.803 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -1.576 -55.076 -2.057 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -0.172 -55.416 -2.610 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -3.580 -57.999 6.184 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -3.646 -58.773 5.585 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -2.799 -57.506 5.848 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -2.039 -60.126 0.804 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -1.737 -60.710 1.534 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -1.742 -60.573 0.003 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -4.466 -59.407 1.864 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -4.244 -59.670 2.779 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -3.681 -59.671 1.343 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -13.741 -52.738 6.181 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -12.990 -53.231 6.568 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -13.331 -52.167 5.519 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -12.987 -48.336 7.438 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -13.967 -48.446 7.434 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -12.771 -48.106 6.503 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -12.196 -51.224 0.612 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -11.817 -52.096 0.467 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -11.803 -50.930 1.460 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -4.952 -47.453 -4.445 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -4.906 -46.485 -4.366 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -4.023 -47.723 -4.580 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 0.377 -57.538 16.979 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 1.153 -57.361 17.549 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 0.042 -56.646 16.752 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -5.340 -48.848 21.331 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -5.611 -49.762 21.185 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -4.367 -48.907 21.484 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -8.700 -49.934 13.230 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -8.209 -50.356 13.967 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -9.093 -50.693 12.742 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -3.217 -51.867 17.075 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -3.133 -52.540 16.377 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -3.358 -51.032 16.584 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -3.148 -49.547 15.584 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -2.731 -48.720 15.905 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -2.400 -50.056 15.184 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -4.859 -55.085 11.015 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -4.714 -56.036 10.907 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -4.051 -54.770 11.454 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -1.881 -54.709 12.356 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -1.341 -54.545 11.577 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -1.340 -55.330 12.896 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -5.214 -47.916 18.723 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -4.609 -47.158 18.782 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -5.341 -48.193 19.649 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -9.434 -52.278 12.065 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -8.639 -52.865 12.083 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -10.171 -52.872 12.245 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -9.499 -50.198 16.806 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -9.562 -50.792 17.556 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -8.731 -50.537 16.294 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -7.792 -47.969 11.562 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -8.076 -48.663 12.197 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -8.545 -47.906 10.924 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -6.210 -57.231 6.894 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -5.289 -57.509 6.697 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -6.101 -56.463 7.505 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -9.278 -51.472 9.446 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -10.084 -50.950 9.248 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -9.336 -51.644 10.407 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.075 -54.978 8.412 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -5.676 -54.865 9.294 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -6.711 -54.235 8.339 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -3.008 -53.141 14.475 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -2.628 -53.788 13.850 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -2.296 -52.460 14.578 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -12.718 -52.929 9.692 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -12.595 -52.249 10.380 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -13.649 -52.834 9.428 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -7.134 -53.755 12.161 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -6.595 -53.247 12.799 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -6.487 -54.325 11.707 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -11.485 -49.914 9.161 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -12.103 -49.533 8.503 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -12.053 -50.108 9.943 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -12.868 -50.581 11.410 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -12.859 -49.874 12.093 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -13.822 -50.805 11.311 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -0.483 -49.427 17.493 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -0.391 -50.076 16.773 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 0.351 -48.911 17.462 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -8.130 -53.253 7.873 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -8.521 -52.676 8.576 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -8.230 -52.726 7.058 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -9.663 -48.086 15.052 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -9.461 -48.656 14.278 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -9.776 -48.724 15.793 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -6.610 -46.980 22.846 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -6.135 -47.559 22.210 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -6.830 -47.565 23.577 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -0.089 -56.262 13.802 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 0.047 -57.219 13.969 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -0.191 -55.876 14.700 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -0.214 -60.286 12.246 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -0.108 -59.637 12.976 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -0.422 -61.113 12.698 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 2.557 -56.630 18.463 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 2.321 -55.689 18.658 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 3.077 -56.902 19.224 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -0.448 -52.979 18.187 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -0.984 -52.439 18.791 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -0.638 -52.611 17.307 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 2.847 -57.324 11.512 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 3.295 -58.191 11.407 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 2.051 -57.401 10.952 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.388 -58.932 10.024 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -1.128 -59.452 10.808 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -0.595 -58.405 9.816 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -3.357 -45.877 19.308 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -2.775 -46.062 20.078 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -4.174 -45.493 19.712 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.038 -50.785 19.279 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -1.449 -50.217 18.738 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -2.626 -51.216 18.617 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 0.203 -45.661 -17.467 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 0.685 -46.180 -18.141 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 0.252 -44.744 -17.796 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -1.859 -37.358 -15.168 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -1.676 -37.782 -16.032 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -2.377 -38.028 -14.682 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -1.609 -46.609 -15.593 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -2.432 -46.084 -15.634 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -1.048 -46.227 -16.309 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -1.219 -38.218 -11.795 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -0.596 -38.790 -12.299 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -2.076 -38.649 -11.908 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.656 -42.938 -14.325 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.467 -43.454 -14.381 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.896 -42.177 -13.736 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.009 -44.999 -15.395 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -4.328 -45.748 -14.842 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.436 -44.213 -14.996 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -6.308 -45.894 -8.668 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -5.369 -46.098 -8.472 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -6.691 -46.759 -8.914 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -2.937 -43.946 -17.699 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -3.225 -44.532 -18.404 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -3.348 -44.321 -16.891 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -3.713 -29.161 -11.641 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -3.300 -28.932 -12.486 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -3.940 -30.109 -11.735 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -3.188 -41.728 -14.641 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -3.283 -40.835 -14.243 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.079 -42.123 -14.557 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -7.224 -38.294 -11.945 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -7.650 -37.591 -11.418 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -6.358 -37.913 -12.196 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -8.400 -40.084 -10.122 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -7.583 -40.628 -10.027 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -8.244 -39.569 -10.933 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -4.758 -37.069 -12.342 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -4.148 -36.521 -12.852 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -4.959 -36.528 -11.549 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -3.648 -39.089 -13.908 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -4.207 -38.583 -13.286 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -4.204 -39.176 -14.717 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -3.981 -31.924 -12.016 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -3.445 -32.719 -11.798 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -3.703 -31.697 -12.927 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -1.940 -45.789 -12.915 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -2.511 -46.348 -12.354 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -1.863 -46.280 -13.750 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -4.800 -39.510 -16.353 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -4.488 -40.296 -16.817 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.896 -38.848 -17.045 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -0.631 -31.331 -16.242 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 0.029 -31.973 -16.522 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -0.602 -30.639 -16.937 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -2.488 -35.693 -9.250 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -3.335 -35.967 -8.848 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -2.746 -35.230 -10.069 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -8.173 -36.310 -10.167 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -8.929 -35.717 -10.231 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -8.414 -36.928 -9.428 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.425 -40.875 -12.750 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -6.792 -39.974 -12.732 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.189 -41.053 -11.807 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -5.753 -38.791 -8.402 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -5.223 -39.608 -8.578 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -6.499 -38.864 -9.015 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -4.849 -46.900 -13.579 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -4.505 -46.569 -12.728 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -5.360 -47.687 -13.335 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.125 -48.486 -9.109 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -7.983 -48.918 -9.091 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -6.750 -48.660 -8.207 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -0.915 -30.446 -12.075 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -0.787 -31.201 -11.463 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -0.747 -29.668 -11.526 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -1.078 -35.795 -13.062 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -1.002 -36.585 -12.483 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -1.344 -36.167 -13.933 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -2.286 -33.965 -11.446 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -1.543 -33.472 -11.026 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -1.840 -34.587 -12.067 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -1.603 -38.907 -17.486 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -0.928 -38.843 -18.168 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -1.722 -39.869 -17.354 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -1.700 -41.633 -16.911 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -2.137 -41.649 -16.026 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -2.042 -42.442 -17.357 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -3.331 -25.443 -21.612 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -3.929 -24.700 -21.496 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -3.149 -25.754 -20.693 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -3.691 -46.874 -11.009 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -4.265 -47.667 -11.077 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -3.614 -46.721 -10.049 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -2.435 -31.188 -14.179 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -1.773 -31.075 -13.460 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -1.895 -31.414 -14.969 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -2.208 -27.436 -23.066 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -2.574 -26.642 -22.602 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -2.869 -27.641 -23.735 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -3.625 -50.380 -9.821 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -3.664 -51.309 -9.509 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -2.882 -49.990 -9.310 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -4.909 -32.834 -9.454 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -4.682 -32.319 -10.252 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -5.125 -33.724 -9.801 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -5.688 -43.065 -2.584 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -5.376 -43.775 -3.185 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -5.151 -43.193 -1.768 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -5.425 -39.570 0.080 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -5.992 -38.890 0.507 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -5.789 -40.414 0.396 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -6.244 -31.670 1.166 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -5.555 -32.118 0.634 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -5.767 -31.347 1.958 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -8.636 -38.673 2.703 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -9.257 -38.596 3.457 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -8.832 -39.550 2.327 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -10.342 -43.489 -0.050 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -10.672 -44.201 -0.643 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -9.531 -43.172 -0.488 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -13.704 -46.913 2.560 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -13.323 -46.832 1.655 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -14.570 -46.506 2.484 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -4.716 -37.174 -4.299 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -4.612 -37.211 -3.334 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -5.229 -36.354 -4.454 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -10.993 -48.054 -2.349 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -10.409 -48.702 -2.762 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -11.689 -48.596 -1.920 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -4.409 -32.688 -0.775 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -4.327 -33.530 -0.280 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -4.203 -32.939 -1.703 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -3.836 -33.766 -3.320 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -3.281 -33.465 -4.067 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -4.647 -34.104 -3.750 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -4.275 -39.927 -4.290 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -4.403 -38.955 -4.312 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -4.918 -40.264 -4.948 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -7.898 -43.717 -8.289 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -7.393 -44.545 -8.467 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -7.645 -43.126 -9.011 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -3.110 -35.500 -1.209 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -3.192 -34.913 -1.986 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -3.428 -36.365 -1.528 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -6.051 -34.787 -4.674 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -6.988 -34.715 -4.453 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -5.956 -34.244 -5.499 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -1.337 -33.570 -8.084 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -1.006 -33.156 -8.913 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -1.700 -34.437 -8.379 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -10.158 -39.493 4.857 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -10.483 -38.823 5.498 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -9.549 -40.042 5.379 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -2.877 -32.846 -5.887 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -3.633 -32.376 -6.277 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -2.362 -33.158 -6.665 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -13.075 -49.301 -1.100 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.969 -49.608 -1.280 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -12.729 -49.945 -0.436 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.892 -45.111 -4.329 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -7.682 -44.173 -4.499 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.865 -45.128 -4.261 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -13.061 -46.673 -0.104 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -13.019 -47.555 -0.520 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -12.481 -46.119 -0.659 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -11.666 -41.368 -5.892 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -12.039 -41.839 -5.144 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -10.891 -41.910 -6.155 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.959 -41.335 5.037 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.361 -41.460 4.156 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -7.231 -40.701 4.881 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -11.108 -45.391 -1.874 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -11.028 -45.046 -2.786 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -10.965 -46.362 -1.975 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -7.416 -42.331 -4.576 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -6.996 -41.730 -5.231 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -6.755 -42.396 -3.855 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -7.209 -41.889 1.323 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -7.503 -42.184 0.439 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -8.036 -41.817 1.837 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -11.094 -43.614 2.588 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.399 -44.271 2.815 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -11.087 -43.593 1.605 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -11.426 -39.045 -7.264 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -11.429 -39.847 -6.695 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -12.294 -39.047 -7.675 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -3.853 -47.024 -8.060 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -2.926 -47.031 -7.748 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -4.274 -47.741 -7.556 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -9.021 -40.303 9.462 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.874 -40.799 10.305 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -8.119 -40.058 9.169 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -9.064 -38.129 -8.381 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.900 -38.947 -8.901 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.875 -38.335 -7.867 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -10.758 -42.281 8.763 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -10.233 -41.483 8.981 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -10.516 -42.481 7.840 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -6.328 -35.490 3.233 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.018 -34.838 2.952 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -6.587 -35.736 4.131 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 0.921 -32.355 -7.103 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 1.404 -32.280 -7.949 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 0.116 -32.862 -7.336 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -4.010 -38.055 -1.671 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -3.325 -38.633 -2.041 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -4.654 -38.681 -1.260 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -6.627 -37.468 1.308 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -6.482 -36.676 1.861 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -7.453 -37.859 1.669 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -0.916 -29.464 -6.392 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -0.052 -29.774 -6.054 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -0.896 -29.691 -7.342 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -5.957 -33.223 -6.875 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.425 -32.368 -6.722 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -5.644 -33.158 -7.798 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -8.056 -42.477 -1.335 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -8.478 -41.925 -2.007 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -7.213 -42.758 -1.752 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -7.623 -49.607 -1.735 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -7.723 -50.505 -2.098 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -8.059 -49.656 -0.856 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -5.574 -35.445 -10.227 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -6.532 -35.655 -10.296 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -5.330 -35.748 -9.323 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -7.665 -37.914 6.549 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -7.295 -38.281 7.382 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -8.576 -37.674 6.779 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -4.262 -30.698 -7.468 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -3.846 -29.959 -7.967 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -4.433 -31.378 -8.149 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -4.789 -36.360 -7.813 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.878 -36.199 -6.864 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -5.137 -37.279 -7.936 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -6.447 -39.024 4.405 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -6.785 -38.583 5.217 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -7.105 -38.806 3.724 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -9.577 -41.346 2.806 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -10.142 -42.140 2.662 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -10.102 -40.790 3.419 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -5.988 -40.698 -6.296 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -5.409 -41.078 -7.006 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -6.330 -39.878 -6.692 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -4.146 -40.286 9.447 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -4.253 -41.027 8.807 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -3.211 -40.017 9.346 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -11.602 -44.655 5.231 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -11.734 -44.301 4.330 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -10.907 -44.074 5.615 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -12.518 -47.254 5.000 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -13.008 -47.251 4.147 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -12.185 -46.335 5.084 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.599 -43.115 6.369 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -9.053 -43.746 6.885 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -8.945 -42.495 5.979 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -15.989 -48.360 10.362 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -16.325 -47.878 11.129 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -15.047 -48.080 10.297 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -10.869 -50.527 2.905 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -11.225 -49.682 3.210 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -10.924 -51.110 3.696 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -2.013 -30.547 -2.794 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -2.554 -30.180 -3.520 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -1.395 -31.161 -3.247 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -6.899 -27.299 10.059 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -7.399 -27.973 10.561 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -5.975 -27.639 10.070 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -7.937 -33.589 2.234 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -8.828 -33.438 1.905 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -7.407 -32.871 1.829 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -4.452 -34.449 1.494 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -5.113 -34.631 2.196 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -3.895 -33.726 1.866 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -3.019 -32.261 2.263 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -2.649 -31.645 1.603 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -3.589 -31.695 2.824 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -10.688 -44.851 -4.578 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -10.368 -44.220 -5.264 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -11.194 -45.504 -5.073 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -9.513 -43.040 -6.212 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.801 -42.681 -5.640 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -9.048 -43.267 -7.054 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -0.546 -31.988 -4.709 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -1.405 -32.280 -5.078 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 0.089 -32.153 -5.429 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -15.375 -51.109 10.620 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -15.779 -50.241 10.440 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -15.552 -51.632 9.811 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -5.115 -40.304 14.157 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -4.978 -41.193 14.554 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -5.147 -39.711 14.912 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -11.183 -40.872 16.759 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -11.689 -41.670 16.595 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -11.030 -40.879 17.728 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -11.114 -38.056 16.899 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -11.044 -38.019 17.868 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -11.130 -39.013 16.694 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -2.225 -47.322 17.023 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -1.598 -47.986 17.370 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -2.559 -46.869 17.816 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -10.727 -37.771 19.741 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -10.257 -38.295 20.425 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -11.206 -37.079 20.255 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -6.799 -44.356 14.063 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -6.859 -45.239 14.504 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -7.732 -44.048 14.020 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -11.713 -35.555 20.981 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -11.985 -35.004 20.220 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -11.333 -34.916 21.610 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -3.480 -44.303 17.001 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -3.452 -44.717 17.884 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -2.918 -44.869 16.459 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.393 -44.720 9.892 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -10.519 -43.757 9.728 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.864 -45.152 9.141 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -8.423 -45.098 7.931 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -8.897 -44.952 8.776 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -8.752 -45.962 7.621 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -10.202 -35.712 15.864 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -9.983 -35.472 16.791 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -10.606 -36.610 15.942 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -10.462 -33.585 22.481 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -9.755 -33.305 21.872 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -10.979 -32.781 22.626 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -7.425 -34.622 22.035 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.337 -33.658 22.140 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -7.391 -34.963 22.946 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -5.433 -31.320 11.662 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -6.333 -31.262 12.039 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -4.913 -31.728 12.361 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -2.450 -30.135 9.278 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -3.088 -30.880 9.231 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -1.821 -30.316 8.552 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -6.349 -42.753 25.175 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -5.438 -42.994 25.454 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -6.548 -43.377 24.454 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -4.826 -42.459 22.299 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -5.642 -42.929 22.540 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -4.114 -43.087 22.518 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -4.239 -42.220 7.503 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -3.414 -42.086 6.986 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -4.928 -42.307 6.831 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -4.356 -43.006 12.303 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -4.316 -43.008 13.280 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -4.878 -42.204 12.089 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.604 -42.001 22.764 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -11.399 -42.146 23.317 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -9.987 -42.706 23.049 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -4.798 -42.847 15.073 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -4.384 -43.328 15.827 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -5.569 -43.408 14.824 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -9.619 -47.984 9.592 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -10.256 -48.728 9.560 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -9.595 -47.654 8.677 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -12.601 -46.944 22.663 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -13.069 -46.130 22.358 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -12.740 -47.575 21.954 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -13.416 -47.416 10.024 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -12.563 -47.217 10.476 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -13.155 -47.632 9.106 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -5.735 -48.915 16.260 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -5.597 -48.572 17.176 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -4.827 -49.112 15.940 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -13.743 -44.579 22.008 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -13.287 -44.021 21.340 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -13.842 -43.995 22.773 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -12.600 -43.107 24.367 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -12.309 -44.032 24.522 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.572 -42.702 25.240 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -8.426 -41.736 11.688 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -8.514 -42.487 12.289 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -7.479 -41.486 11.748 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.177 -36.873 10.699 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -7.366 -36.617 11.633 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -6.476 -36.269 10.431 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.571 -39.624 21.607 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -9.888 -40.391 22.135 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -8.652 -39.480 21.922 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.424 -33.830 13.855 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -10.070 -33.111 14.001 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.680 -34.515 14.508 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -7.382 -36.119 15.888 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -8.351 -36.171 15.814 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -7.224 -35.938 16.821 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -7.130 -35.705 19.489 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -6.292 -36.200 19.400 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -7.126 -35.387 20.418 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -12.043 -33.667 16.195 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -11.587 -34.502 15.978 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -12.164 -33.705 17.162 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -5.818 -40.853 11.585 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -5.196 -40.498 10.914 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -5.572 -40.387 12.418 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -5.710 -45.092 20.431 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -5.942 -44.633 21.259 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -6.525 -45.542 20.176 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.387 -35.580 13.139 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.111 -34.929 13.229 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.178 -35.829 14.062 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -11.402 -46.559 11.664 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -10.876 -46.017 11.031 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -11.169 -46.193 12.538 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -12.120 -42.886 20.592 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -11.892 -42.160 19.984 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -11.574 -42.711 21.379 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -7.190 -46.770 15.163 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -6.616 -47.457 15.557 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -8.081 -47.169 15.176 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -11.414 -30.339 12.156 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -11.398 -30.895 12.972 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -11.456 -30.980 11.438 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -9.426 -43.670 13.880 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -10.006 -42.907 13.976 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -10.017 -44.441 14.010 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -2.779 -44.254 22.843 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -1.927 -43.775 22.893 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -2.566 -45.068 22.340 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -9.539 -37.629 9.234 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -8.832 -37.254 9.793 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -9.507 -38.593 9.425 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -4.185 -32.250 9.351 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -4.778 -31.972 10.079 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -4.084 -33.202 9.477 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.012 -36.007 23.830 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.141 -36.645 23.113 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.245 -35.143 23.425 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -6.653 -38.991 8.902 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -6.768 -38.344 9.628 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -5.770 -39.378 9.062 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -11.699 -45.674 24.853 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -11.896 -46.258 25.593 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -11.968 -46.195 24.056 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -11.488 -45.908 7.737 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -11.895 -46.775 7.572 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -11.626 -45.417 6.904 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -11.123 -40.569 19.452 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.462 -40.503 20.170 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -11.521 -39.685 19.420 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -3.517 -39.845 26.212 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -3.577 -39.268 27.002 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -3.031 -40.633 26.532 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.447 -44.236 23.956 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -9.275 -43.763 24.807 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -10.165 -44.862 24.176 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -6.913 -44.305 22.892 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.866 -44.210 23.122 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -6.758 -45.281 22.925 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -3.786 -43.708 25.347 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -3.609 -43.967 24.421 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -2.906 -43.634 25.743 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -11.181 -31.767 14.449 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -11.675 -32.409 15.013 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -10.782 -31.142 15.094 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -1.923 -38.463 24.464 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -2.547 -38.923 25.063 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -1.118 -38.353 24.999 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -1.916 -46.619 21.575 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -0.971 -46.688 21.826 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -2.229 -47.552 21.574 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -4.884 -33.149 23.096 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -4.795 -33.627 23.950 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -4.716 -33.839 22.422 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -7.155 -29.087 23.252 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -6.693 -28.429 22.694 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -7.886 -28.587 23.644 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -1.899 -50.988 23.534 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -1.110 -50.727 24.054 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -1.999 -51.927 23.712 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -7.206 -31.856 22.891 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -7.119 -30.897 23.097 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.294 -32.211 23.014 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -9.626 -35.453 18.510 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -10.000 -36.278 18.879 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -8.698 -35.442 18.847 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -7.311 -50.944 15.379 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -6.736 -50.223 15.730 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -6.683 -51.562 14.947 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -13.074 -48.317 12.973 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -12.345 -47.843 12.526 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -13.833 -47.720 12.884 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -5.464 -52.255 13.827 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -4.656 -52.715 14.157 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -5.122 -51.457 13.405 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -14.681 -46.088 12.054 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -14.186 -46.415 11.275 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -14.664 -45.131 11.960 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -11.106 -45.913 14.327 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -11.959 -46.184 14.688 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -10.495 -46.649 14.580 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -10.670 -37.628 6.791 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -11.500 -37.150 6.864 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -10.322 -37.646 7.715 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -9.583 -40.346 27.016 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -9.373 -40.030 27.920 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.639 -39.533 26.490 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -8.756 -38.879 29.190 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -8.440 -38.879 30.097 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.047 -38.433 28.686 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -2.039 -34.730 27.430 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -2.564 -35.545 27.416 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -1.168 -34.998 27.041 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -3.411 -41.009 29.589 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -3.803 -41.818 29.926 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -2.847 -41.306 28.844 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.644 -37.577 26.137 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.356 -37.339 26.745 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.852 -37.080 25.318 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 0.849 -42.435 27.704 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 0.564 -43.295 27.366 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 1.543 -42.652 28.370 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -4.639 -36.562 27.164 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -4.137 -37.199 27.722 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -5.574 -36.818 27.298 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -4.139 -30.219 29.809 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -4.710 -30.275 29.007 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -4.383 -30.994 30.327 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -3.332 -38.436 28.613 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -3.420 -39.257 29.148 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -2.585 -37.949 29.042 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -7.757 -34.782 24.818 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -8.546 -35.334 24.632 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -8.108 -33.885 24.890 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -5.080 -34.623 25.326 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -6.048 -34.766 25.225 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -4.800 -35.327 25.959 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -3.744 -32.719 26.802 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -4.273 -33.255 26.178 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -3.052 -33.346 27.120 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -7.103 -37.820 27.226 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -7.970 -37.654 26.797 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -6.714 -38.534 26.704 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -8.894 -42.866 26.201 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -7.936 -42.742 26.039 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -9.188 -42.004 26.569 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -1.821 -41.682 27.446 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -0.954 -41.490 27.850 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -1.633 -42.424 26.834 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -1.171 -37.066 29.556 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -0.305 -37.482 29.382 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -0.948 -36.172 29.880 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 2.907 -42.689 29.446 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 3.581 -42.997 30.101 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 2.388 -42.010 29.940 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -0.975 -43.647 25.738 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -0.752 -43.217 24.884 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -0.955 -44.609 25.531 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -1.192 -46.193 24.861 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -1.059 -46.924 25.515 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.071 -46.362 24.496 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -0.952 -48.322 26.498 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -0.529 -49.038 25.979 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.122 -48.723 27.355 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 0.646 -28.051 -13.369 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 1.293 -28.023 -14.098 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 1.117 -28.525 -12.644 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 2.232 -27.003 -15.506 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 2.939 -27.040 -16.185 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 2.384 -26.157 -15.053 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -2.006 -27.510 -16.721 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -2.261 -27.675 -15.791 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -1.565 -28.335 -16.996 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 1.543 -23.751 -17.420 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 1.490 -23.416 -18.346 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 1.004 -24.572 -17.436 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -2.976 -28.859 -9.053 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -3.321 -28.890 -9.977 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -2.085 -29.271 -9.117 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -1.291 -19.845 -12.801 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.145 -19.451 -13.007 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -0.948 -20.146 -13.679 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -2.463 -25.852 -13.200 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -2.464 -26.776 -13.524 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -2.972 -25.886 -12.385 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -1.221 -20.767 -10.162 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -0.277 -20.951 -10.018 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -1.266 -20.464 -11.090 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -0.281 -20.518 -15.216 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 0.121 -21.409 -15.102 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -0.168 -20.326 -16.152 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 0.136 -25.394 -13.984 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 0.378 -26.278 -13.645 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -0.822 -25.316 -13.771 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 0.306 -26.170 -17.289 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -0.628 -26.376 -17.068 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 0.804 -26.439 -16.489 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 2.133 -29.727 -8.533 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 2.214 -30.645 -8.880 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 2.908 -29.626 -7.926 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 1.870 -29.337 -11.233 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 1.825 -30.299 -11.124 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 1.925 -28.998 -10.318 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -2.062 -28.430 -14.067 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -1.124 -28.415 -13.765 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -2.253 -29.381 -14.206 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -2.606 -26.575 -19.274 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -2.574 -26.749 -18.312 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -1.990 -27.222 -19.653 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -0.406 -29.352 -18.155 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 0.470 -28.936 -18.247 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -0.851 -29.155 -19.003 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -6.890 -23.772 -3.785 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -7.849 -23.875 -3.826 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -6.759 -22.926 -3.297 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -4.773 -20.977 1.187 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -4.815 -21.472 2.033 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -4.644 -21.676 0.513 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -6.032 -17.439 -1.325 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -5.594 -16.989 -0.561 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -6.412 -18.256 -0.934 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -5.474 -13.413 -0.015 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -5.867 -13.748 -0.845 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -4.638 -12.995 -0.301 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -2.018 -28.355 1.077 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -1.104 -28.303 1.445 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -2.085 -29.272 0.726 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -4.602 -24.913 0.978 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -4.703 -24.172 0.336 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -5.011 -25.678 0.523 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -4.591 -25.270 -3.634 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -4.748 -26.181 -3.306 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -5.473 -24.842 -3.588 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 0.344 -27.705 2.399 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 1.302 -27.681 2.596 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 0.014 -26.839 2.709 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -3.126 -27.070 -1.082 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.079 -27.076 -0.878 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -2.712 -27.512 -0.310 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -4.918 -30.752 3.532 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -5.093 -31.132 4.402 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -4.916 -29.780 3.692 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -3.014 -12.710 -1.505 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -3.182 -13.476 -2.080 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -2.166 -12.343 -1.841 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -6.325 -14.833 -2.279 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -7.147 -14.676 -2.759 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -6.389 -15.770 -1.991 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -6.318 -21.426 -2.516 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -6.588 -20.780 -1.833 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -5.837 -20.888 -3.182 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -0.937 -25.384 3.306 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -0.977 -24.930 4.154 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.802 -25.848 3.240 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.792 -19.826 -0.223 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -6.070 -20.179 0.351 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -7.603 -20.060 0.248 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -5.499 -23.590 -6.177 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -6.040 -23.574 -5.362 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -5.364 -22.646 -6.395 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -3.259 -29.474 -5.035 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -2.384 -29.396 -5.491 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -3.813 -29.956 -5.678 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 0.590 -17.137 -9.922 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 0.400 -16.220 -10.150 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 0.091 -17.283 -9.086 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -7.401 -13.978 5.028 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -8.232 -13.972 4.543 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -7.661 -13.739 5.949 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -4.718 -28.147 4.434 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -4.305 -28.027 5.297 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -4.216 -27.541 3.840 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.235 -21.240 -6.788 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -3.503 -21.873 -6.713 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.292 -21.058 -7.756 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -6.566 -22.918 5.350 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.554 -23.902 5.345 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -6.818 -22.688 6.268 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -4.659 -22.853 -0.794 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -5.192 -22.520 -1.544 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.748 -22.922 -1.158 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -4.987 -22.996 3.079 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.044 -23.821 2.560 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.614 -23.134 3.823 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -5.783 -27.161 -0.338 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.761 -28.126 -0.541 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.722 -26.943 -0.341 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -5.491 -15.821 5.891 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -5.621 -16.507 5.193 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -6.070 -15.081 5.604 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -7.314 -19.130 7.242 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -6.709 -18.408 7.508 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -8.110 -18.989 7.798 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -5.178 -26.280 -6.252 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -5.484 -25.362 -6.425 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -4.856 -26.251 -5.336 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -4.972 -16.014 0.720 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -5.299 -15.112 0.537 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -4.087 -15.864 1.126 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.674 -15.015 -3.065 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.594 -14.747 -2.863 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.723 -15.990 -3.137 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.099 -19.220 -1.005 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -3.890 -19.770 -1.008 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.194 -18.659 -1.794 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -6.263 -20.163 4.906 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -6.715 -19.818 5.709 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -6.490 -21.118 4.897 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -2.693 -16.853 -5.695 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -3.041 -17.334 -4.925 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -3.123 -15.990 -5.647 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -0.772 -15.776 -0.341 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -0.596 -16.723 -0.467 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -0.799 -15.412 -1.252 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -1.639 -12.876 -7.336 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -1.951 -12.010 -7.063 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -2.020 -12.995 -8.232 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -4.154 -17.771 -3.274 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -4.933 -17.669 -2.678 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -4.315 -18.630 -3.732 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -7.083 -28.124 -5.548 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -6.639 -28.106 -4.688 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -6.566 -27.503 -6.094 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -3.304 -26.603 2.721 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -2.893 -27.243 2.093 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -3.814 -25.996 2.144 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -3.509 -22.669 -3.667 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -2.839 -22.765 -2.958 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -3.855 -23.575 -3.792 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -2.164 -10.897 0.388 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -2.535 -11.616 -0.161 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -2.939 -10.555 0.890 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -8.470 -13.599 7.530 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -8.817 -12.932 8.131 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -8.544 -14.438 8.034 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -5.896 -17.023 8.342 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -5.568 -16.457 9.081 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -5.653 -16.523 7.528 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -7.214 -21.799 7.894 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -7.270 -20.865 7.604 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.723 -21.756 8.737 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -3.860 -21.202 -9.442 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -4.151 -21.737 -10.186 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -2.911 -21.021 -9.631 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -3.612 -21.151 4.599 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -4.440 -20.709 4.854 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -3.908 -21.945 4.116 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -7.385 -25.895 7.692 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -8.103 -25.402 8.117 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -7.071 -26.502 8.391 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -6.313 -25.656 5.232 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -6.068 -26.541 4.931 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -6.730 -25.807 6.114 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -10.250 -28.445 10.526 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -10.872 -28.944 11.093 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -10.800 -27.785 10.091 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 0.330 -16.222 2.314 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -0.164 -16.363 1.483 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 0.543 -15.258 2.298 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 0.054 -16.171 5.036 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -0.872 -16.146 5.348 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -0.017 -16.076 4.065 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -4.199 -19.001 9.624 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -4.876 -18.467 9.163 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -3.887 -18.423 10.338 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -3.072 -26.351 -7.951 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -2.978 -27.206 -8.422 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -3.912 -26.444 -7.456 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.571 -20.261 -4.292 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.593 -20.337 -5.272 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.102 -21.082 -4.005 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -0.530 -30.077 -9.053 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 0.397 -29.829 -8.838 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -0.454 -30.993 -9.402 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -2.800 -23.840 -6.853 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -2.759 -24.630 -7.439 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -3.730 -23.820 -6.551 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.986 -22.923 -1.441 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -1.126 -22.522 -1.695 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -1.835 -23.258 -0.523 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -1.948 -23.794 1.135 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -2.825 -24.212 1.197 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -1.396 -24.306 1.754 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -5.069 -28.014 -3.469 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -5.291 -28.642 -2.762 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.433 -28.506 -4.037 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -0.442 -11.849 -2.339 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -0.164 -11.111 -1.762 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 0.119 -11.756 -3.135 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -3.706 -11.708 4.107 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.963 -11.605 5.029 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.502 -12.098 3.676 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -5.856 -12.635 2.724 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -5.825 -12.992 1.811 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -6.399 -13.272 3.214 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -2.550 -15.281 1.708 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -1.939 -15.216 0.944 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -2.220 -14.610 2.337 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -2.502 -30.818 -0.103 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -2.152 -30.621 -1.002 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -3.204 -31.482 -0.267 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.748 -29.856 -1.002 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -5.137 -30.549 -1.298 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.258 -30.284 -0.287 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -6.851 -30.683 -6.540 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -7.181 -29.815 -6.223 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -5.951 -30.491 -6.861 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -0.005 -13.941 -5.396 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 0.415 -13.088 -5.160 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -0.591 -13.717 -6.156 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -4.653 -28.829 10.487 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -3.830 -29.119 10.043 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -5.012 -29.648 10.880 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -2.727 -15.926 5.594 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -3.692 -15.917 5.778 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -2.417 -15.049 5.918 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -6.750 -19.231 14.874 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -7.477 -18.632 14.596 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -7.136 -19.750 15.609 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -4.706 -23.693 21.095 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -4.050 -24.314 21.479 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -5.196 -24.242 20.438 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -7.074 -22.728 14.792 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -6.337 -22.290 14.308 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -6.709 -22.882 15.694 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -8.177 -20.819 16.799 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.853 -21.362 16.368 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -7.587 -21.469 17.226 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -8.395 -17.260 14.048 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -8.102 -16.722 13.277 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -9.272 -17.603 13.778 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -9.661 -23.502 15.110 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -9.695 -24.168 15.839 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -8.700 -23.325 14.994 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -10.714 -30.986 18.878 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -10.025 -31.198 19.548 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -11.115 -30.170 19.204 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -8.495 -21.175 12.913 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -9.412 -21.224 13.241 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -7.998 -21.764 13.508 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -10.871 -20.321 10.584 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -10.290 -21.087 10.365 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -11.752 -20.620 10.342 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -5.263 -21.111 13.571 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.812 -20.367 13.903 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -4.370 -20.926 13.929 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -9.778 -15.524 17.530 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -10.694 -15.471 17.177 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -9.617 -16.481 17.628 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -8.866 -16.441 25.417 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -8.007 -16.813 25.707 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.522 -16.890 25.988 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -0.423 -17.542 22.824 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 0.048 -18.297 23.221 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -0.160 -17.563 21.881 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -4.660 -16.184 21.969 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -5.351 -15.536 21.717 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -4.347 -15.876 22.845 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -7.455 -13.216 13.254 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -7.912 -12.388 13.050 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -7.872 -13.522 14.086 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -2.650 -16.892 11.294 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -2.045 -16.908 10.544 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -2.181 -16.364 11.968 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -5.098 -17.192 13.765 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -5.607 -17.931 14.157 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.435 -17.628 13.213 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -2.949 -25.645 28.010 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -2.105 -26.006 27.669 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -3.163 -26.224 28.777 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.828 -27.197 20.953 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -9.754 -27.078 21.921 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -9.600 -26.320 20.586 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -5.763 -17.652 3.924 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -6.017 -17.625 2.996 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -5.962 -18.576 4.204 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -7.960 -29.155 11.811 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.819 -29.135 11.334 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.983 -29.997 12.317 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -6.549 -22.008 22.152 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -5.862 -22.590 21.748 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -6.317 -21.988 23.109 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -8.926 -25.294 10.046 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -9.299 -25.240 10.949 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -8.270 -26.020 10.100 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -8.560 -28.135 17.487 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -8.371 -28.517 18.369 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -7.843 -27.486 17.352 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -10.744 -28.389 14.139 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -10.714 -28.937 14.952 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -11.158 -28.970 13.476 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -5.240 -13.728 28.473 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -6.097 -13.302 28.560 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -5.240 -14.084 27.558 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -6.347 -23.102 17.388 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -6.499 -24.053 17.577 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -5.644 -22.852 18.004 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -8.953 -31.292 20.924 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -8.356 -31.557 21.657 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -8.564 -30.453 20.596 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -10.888 -21.215 14.318 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -10.622 -22.110 14.635 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -11.745 -21.063 14.735 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -7.459 -19.133 11.431 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -7.487 -18.253 11.855 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -7.912 -19.729 12.073 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -7.332 -19.363 21.696 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -7.214 -19.120 22.620 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -7.151 -20.327 21.677 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -11.265 -17.956 15.762 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -11.283 -18.070 14.795 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -11.721 -17.101 15.914 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -9.163 -18.293 17.412 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -9.958 -18.243 16.825 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -8.831 -19.210 17.284 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -8.866 -13.921 19.589 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -9.243 -14.309 20.405 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -9.220 -14.488 18.867 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -10.654 -18.720 13.075 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -10.650 -19.598 13.507 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -10.792 -18.923 12.133 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -9.091 -18.666 9.287 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -8.423 -18.811 9.993 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -9.873 -19.165 9.598 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -3.242 -15.841 19.734 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -3.710 -16.054 20.576 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -2.412 -15.435 20.019 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -1.490 -12.990 11.853 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -2.398 -13.131 11.515 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -1.267 -13.831 12.293 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -5.969 -21.155 10.396 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -6.542 -20.458 10.792 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -5.185 -20.665 10.088 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -6.460 -26.900 21.667 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -6.211 -26.374 20.869 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -6.827 -26.238 22.275 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -7.531 -16.338 11.637 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -8.078 -16.035 10.891 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -6.615 -16.114 11.365 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -8.399 -27.215 13.584 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -8.107 -27.904 12.940 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.250 -27.573 13.943 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -8.154 -24.353 22.545 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -7.707 -23.484 22.575 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -8.448 -24.436 21.610 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -7.728 -31.484 13.340 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -8.224 -32.323 13.298 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -7.528 -31.378 14.297 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -9.347 -24.841 12.712 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -9.687 -24.279 13.437 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -9.250 -25.726 13.125 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -3.418 -15.239 24.240 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -2.830 -14.460 24.128 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -4.041 -14.973 24.947 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -8.449 -16.004 8.930 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -9.014 -16.801 8.980 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -7.580 -16.348 8.652 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -8.897 -22.104 25.978 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -8.265 -22.451 26.652 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -9.178 -22.885 25.494 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -9.372 -22.479 9.582 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -9.368 -23.454 9.633 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -8.730 -22.276 8.874 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -5.979 -21.885 24.783 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -6.744 -21.796 25.374 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -5.275 -22.264 25.360 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -1.680 -19.822 8.667 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -1.834 -20.465 7.968 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -2.577 -19.602 8.992 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.249 -25.320 17.089 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.653 -26.203 17.133 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -8.281 -25.497 17.176 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -5.485 -25.241 27.164 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -4.575 -25.370 27.519 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -5.690 -26.077 26.739 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.930 -28.861 20.076 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.707 -28.322 20.364 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.173 -28.426 20.503 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -9.256 -26.603 23.592 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -9.917 -26.345 24.242 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -8.818 -25.755 23.344 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.697 -24.841 19.901 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -9.093 -24.712 19.021 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.740 -24.992 19.712 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -3.701 -27.449 29.939 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -4.161 -27.276 30.764 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -3.731 -28.423 29.849 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -1.498 -12.130 19.297 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -0.556 -11.890 19.165 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -1.993 -11.439 18.793 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.702 -17.475 28.394 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -1.735 -17.401 28.237 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -2.929 -16.658 28.895 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 0.726 -24.410 26.630 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 0.411 -24.431 25.703 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 0.118 -25.015 27.102 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -1.945 -31.028 28.253 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -2.481 -31.614 27.688 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -2.582 -30.678 28.903 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -3.098 -25.795 21.876 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -2.129 -25.924 21.822 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -3.458 -26.685 21.840 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -7.778 -17.521 19.725 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -7.627 -18.161 20.462 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -8.462 -17.945 19.178 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -8.921 -15.084 22.184 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -9.189 -15.689 22.893 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -8.102 -15.474 21.835 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -6.394 -14.339 20.835 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -7.118 -14.286 20.179 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -6.226 -13.409 21.079 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -12.255 -15.455 16.331 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -13.081 -15.185 16.748 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -12.113 -14.780 15.621 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -6.095 -27.335 15.089 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -6.961 -27.319 14.636 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -6.249 -26.835 15.917 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -11.615 -33.610 18.970 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -11.355 -32.669 18.880 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -10.793 -34.109 18.769 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -10.293 -29.988 16.343 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -10.493 -30.500 17.156 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -9.592 -29.360 16.626 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -5.035 -15.776 10.576 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -4.220 -16.207 10.905 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -4.801 -14.817 10.550 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -5.439 -30.651 27.462 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -5.898 -30.402 26.654 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -4.883 -31.417 27.197 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -0.083 -17.412 20.116 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -0.437 -17.854 19.319 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -0.348 -16.479 20.007 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -6.844 -22.914 27.486 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -6.381 -23.781 27.402 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -6.182 -22.331 27.876 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -3.889 -22.706 26.384 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -3.201 -22.133 26.785 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -3.687 -23.592 26.722 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -0.921 -34.175 29.878 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -1.408 -34.365 29.050 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -0.551 -33.301 29.737 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -3.531 -15.315 29.809 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -4.079 -14.632 29.352 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -3.162 -14.852 30.569 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -4.037 -19.183 26.766 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -3.506 -19.962 27.027 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -3.773 -18.491 27.410 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -10.215 -17.760 27.487 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.687 -17.426 28.252 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -11.090 -17.918 27.856 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -5.051 -18.889 31.243 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -4.223 -19.214 30.823 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -5.171 -19.466 32.000 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -2.711 -19.622 30.063 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -2.765 -18.850 29.464 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -1.763 -19.650 30.331 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -8.191 -19.481 26.489 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -8.507 -20.385 26.282 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -8.985 -19.019 26.814 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -8.214 -13.833 25.693 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -8.532 -14.755 25.538 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -8.901 -13.436 26.238 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -5.903 -17.015 29.440 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -5.161 -16.389 29.514 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -5.672 -17.734 30.077 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -6.562 -17.302 26.719 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -6.897 -18.221 26.591 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -6.266 -17.287 27.653 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -0.013 -17.769 27.927 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 0.043 -18.595 27.394 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 0.553 -17.148 27.459 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -0.033 -19.446 30.146 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 0.125 -18.745 29.485 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 0.802 -19.961 30.152 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -2.096 -20.971 27.510 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -1.221 -20.706 27.161 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -2.047 -20.770 28.463 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -0.606 -26.828 27.185 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -0.179 -26.952 26.314 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -0.432 -27.671 27.653 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 0.246 -30.078 25.065 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -0.457 -30.741 25.048 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 0.809 -30.306 24.284 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -3.024 -9.297 10.047 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -3.541 -8.473 10.078 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -2.101 -8.996 10.140 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -5.029 -14.368 13.425 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -5.919 -13.966 13.280 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -5.169 -15.319 13.268 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -1.824 -13.474 6.486 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.300 -12.977 7.182 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -0.888 -13.190 6.591 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 0.135 -9.880 -0.473 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -0.074 -8.952 -0.626 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -0.699 -10.254 -0.078 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -1.573 -13.390 3.599 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -1.515 -13.507 4.565 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -2.265 -12.703 3.488 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -4.340 -10.236 1.862 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -5.215 -10.647 1.872 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -3.933 -10.524 2.700 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.131 -6.749 11.331 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -5.862 -6.240 12.132 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -7.004 -6.373 11.093 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -9.768 -5.597 17.303 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -9.569 -5.145 18.140 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -8.986 -5.416 16.741 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -9.494 -4.816 20.042 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -10.406 -4.601 20.279 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -8.960 -4.278 20.641 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.613 -8.900 18.937 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -6.951 -9.813 19.020 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -7.350 -8.340 19.288 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -1.442 -7.839 20.957 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -1.609 -6.948 21.326 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -2.311 -8.138 20.652 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -3.117 -12.200 21.567 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -4.021 -12.303 21.243 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -2.581 -12.091 20.753 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -8.480 -13.704 15.748 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -9.237 -13.083 15.697 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -8.795 -14.415 16.343 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -10.848 -6.942 9.916 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -11.429 -6.859 9.152 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -11.455 -7.197 10.654 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -3.302 -6.503 10.890 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -3.070 -5.706 11.412 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -4.280 -6.532 10.923 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -3.464 -3.576 20.421 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -3.818 -2.681 20.414 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -2.980 -3.651 19.565 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -7.324 -5.357 15.995 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -6.494 -4.840 16.054 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -7.036 -6.279 16.131 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -5.102 -5.293 13.320 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -4.250 -4.905 13.029 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -5.238 -4.923 14.211 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -3.681 -12.036 13.877 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -3.987 -11.584 13.055 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -4.074 -12.937 13.811 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -7.821 -12.743 23.218 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -7.883 -13.000 24.161 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -8.320 -13.442 22.748 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -8.683 -5.603 11.015 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -9.392 -6.159 10.618 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -8.855 -4.722 10.668 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -9.273 -9.066 10.821 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -9.755 -8.457 10.235 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -9.694 -8.940 11.693 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -8.564 -6.466 13.726 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -8.166 -5.837 14.355 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -8.528 -6.005 12.867 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -8.825 -7.486 19.524 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -9.683 -7.692 19.106 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -8.915 -6.555 19.802 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -9.707 -10.136 17.563 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -9.274 -10.393 18.393 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -10.241 -9.348 17.802 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -6.959 -11.398 16.297 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -7.266 -11.251 17.211 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -7.234 -12.317 16.100 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -11.135 -7.823 17.998 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -10.722 -7.023 17.585 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -12.079 -7.706 17.845 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -6.762 -9.360 11.787 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -7.631 -9.357 11.320 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -6.440 -8.435 11.692 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -4.290 -6.061 21.345 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -4.172 -5.179 20.937 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -3.695 -6.047 22.108 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -3.152 -1.620 13.054 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -3.849 -1.079 12.661 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -2.367 -1.056 13.023 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -6.145 -11.631 21.441 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -5.699 -10.855 21.806 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -6.777 -11.907 22.156 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -8.114 -10.382 14.005 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -7.516 -10.652 14.736 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -7.508 -10.044 13.308 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -10.166 -8.597 13.406 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -9.580 -9.296 13.755 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -9.679 -7.758 13.604 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -10.177 -11.581 15.354 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -10.140 -11.069 16.199 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -9.534 -11.124 14.773 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -1.836 -13.063 23.759 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -1.638 -12.261 24.252 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -2.354 -12.745 22.977 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -6.540 -8.040 16.359 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -7.409 -8.322 16.032 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -6.544 -8.304 17.311 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -0.013 -4.597 13.229 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 0.839 -4.626 12.756 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 0.161 -5.102 14.056 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -4.718 -4.455 15.907 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -4.401 -3.541 16.056 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -3.895 -4.964 15.748 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.680 -4.324 12.518 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -1.744 -4.464 12.789 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -2.817 -3.360 12.632 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -2.574 -11.776 8.670 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -2.835 -10.885 8.977 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -1.637 -11.859 8.952 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -3.904 -13.325 10.518 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -4.356 -12.578 10.970 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -3.538 -12.920 9.703 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -4.037 -8.066 19.508 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -4.214 -7.353 20.166 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -4.933 -8.402 19.278 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -1.605 -5.195 21.821 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -2.083 -4.465 21.383 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -0.666 -5.026 21.614 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -0.084 -11.979 9.754 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -0.521 -12.369 10.547 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 0.699 -11.508 10.120 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -5.611 -14.842 26.000 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -6.455 -14.406 25.768 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -5.869 -15.774 26.196 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -7.739 -11.445 19.193 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -8.266 -12.277 19.227 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -7.163 -11.499 19.985 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -11.977 -13.431 14.593 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -11.378 -12.703 14.881 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -12.290 -13.150 13.728 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -4.578 -10.936 11.598 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -4.014 -10.373 11.024 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -5.435 -10.451 11.640 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -12.373 -7.812 11.990 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -13.157 -7.742 12.541 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -11.681 -8.161 12.597 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -8.704 -16.919 29.617 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -7.737 -16.937 29.448 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -8.774 -16.920 30.577 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 2.970 -51.928 -13.807 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 2.204 -51.548 -14.295 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 3.728 -51.395 -14.104 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 12.541 -52.321 -13.172 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 11.841 -51.943 -13.742 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 13.134 -52.782 -13.795 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 4.566 -53.746 -12.434 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 3.986 -53.978 -11.676 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 3.959 -53.325 -13.079 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 2.899 -54.124 -10.311 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 2.871 -53.785 -9.382 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 2.296 -54.878 -10.304 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 12.687 -55.966 -9.987 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 13.174 -56.042 -9.149 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 12.570 -54.996 -10.112 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 7.395 -54.538 -10.287 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 7.606 -55.430 -9.933 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 6.536 -54.651 -10.716 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 9.527 -52.948 -10.652 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 8.894 -53.670 -10.436 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 9.528 -52.924 -11.633 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 9.118 -53.110 -13.325 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 9.538 -52.409 -13.875 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 8.191 -52.821 -13.237 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 10.627 -55.458 -13.207 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 10.458 -55.897 -14.048 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 10.085 -54.640 -13.249 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 14.900 -51.312 -12.072 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 14.906 -50.419 -11.665 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 13.973 -51.440 -12.354 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 2.447 -51.457 -11.143 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 2.527 -51.626 -12.106 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 2.591 -52.335 -10.738 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 5.379 -48.333 -9.334 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 4.737 -48.664 -9.994 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 4.860 -47.706 -8.793 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 6.516 -51.912 -12.315 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 5.882 -52.666 -12.341 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 6.087 -51.223 -12.875 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 5.611 -58.071 -9.163 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 6.516 -57.693 -9.243 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 5.467 -58.518 -10.000 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 9.276 -57.336 -6.932 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 8.443 -57.138 -6.461 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 9.946 -56.807 -6.454 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 8.147 -57.085 -9.428 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 8.915 -57.216 -10.037 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 8.536 -57.195 -8.533 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 13.389 -55.559 -12.671 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 12.453 -55.514 -12.939 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 13.356 -55.872 -11.749 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 13.379 -57.079 -7.450 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 13.457 -57.669 -6.672 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 12.737 -57.533 -8.022 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 14.982 -53.641 -13.857 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 14.569 -54.460 -13.499 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 15.102 -53.073 -13.076 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -2.523 -55.879 -8.996 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -2.538 -56.687 -8.479 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -1.985 -55.262 -8.463 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 5.222 -50.105 -13.904 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 4.459 -49.485 -13.904 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 5.575 -50.046 -14.828 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 3.216 -48.328 -14.047 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 2.259 -48.348 -14.255 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 3.582 -47.702 -14.702 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 6.656 -47.801 -12.919 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 6.015 -47.152 -12.561 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 6.119 -48.589 -13.109 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 8.720 -49.418 -16.036 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 9.361 -49.053 -16.668 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 8.697 -48.753 -15.312 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 10.417 -51.050 -14.565 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 9.726 -50.677 -15.150 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 11.056 -50.307 -14.451 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 12.160 -48.953 -14.410 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 12.339 -48.232 -13.789 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 12.940 -48.948 -15.016 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 1.016 -51.491 -17.544 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 1.002 -51.226 -16.602 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 0.592 -52.353 -17.553 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 15.321 -48.791 -11.012 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 16.201 -48.594 -11.386 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 14.839 -47.936 -11.072 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 10.488 -55.548 -5.199 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 10.944 -54.678 -5.255 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 9.548 -55.320 -5.078 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 1.136 -56.188 4.278 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 1.841 -56.752 4.659 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 1.224 -56.319 3.314 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.264 -55.015 -1.640 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 2.229 -54.969 -1.439 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 0.837 -54.741 -0.812 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 12.834 -61.301 -0.445 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 12.854 -60.367 -0.138 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 12.997 -61.236 -1.406 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 3.392 -58.790 2.781 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 3.193 -58.667 3.733 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 4.152 -58.190 2.621 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 2.925 -56.719 -3.094 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 3.506 -56.307 -2.407 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 2.065 -56.285 -2.957 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 4.549 -60.360 0.759 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 5.429 -59.966 0.935 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 3.973 -59.972 1.449 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 4.820 -53.618 -3.827 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 4.549 -53.857 -2.920 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 4.772 -54.465 -4.319 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 1.535 -57.131 1.630 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 2.200 -56.550 1.191 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 2.063 -57.892 1.947 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 17.551 -58.494 4.330 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 16.608 -58.226 4.310 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 17.537 -59.373 4.769 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 12.988 -58.733 -5.276 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 12.340 -59.098 -5.912 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 13.193 -59.484 -4.685 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 11.318 -59.088 -7.591 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 11.061 -59.657 -8.325 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 10.503 -58.585 -7.379 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 2.394 -59.207 -4.082 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 3.000 -59.815 -3.604 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 2.605 -58.322 -3.707 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 14.404 -55.308 -5.653 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 14.042 -55.736 -6.459 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 15.154 -55.888 -5.394 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 17.478 -60.895 5.620 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 17.580 -60.566 6.545 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 18.246 -61.461 5.487 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 14.729 -58.239 4.566 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 14.291 -58.075 5.421 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 14.023 -58.046 3.895 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 10.395 -57.123 -10.929 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 11.241 -56.841 -10.522 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 10.382 -56.662 -11.787 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 6.870 -58.980 1.420 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 7.401 -59.540 2.039 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 6.485 -58.282 1.999 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 4.660 -62.499 -0.889 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 5.072 -63.197 -0.376 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 4.549 -61.760 -0.246 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 5.999 -59.143 -4.541 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 5.373 -59.567 -3.921 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 5.454 -58.923 -5.323 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 10.960 -55.343 6.920 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 10.030 -55.418 6.645 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.224 -54.434 6.641 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 8.061 -58.037 -3.225 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 7.410 -58.569 -3.747 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 7.595 -57.864 -2.374 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 2.351 -55.071 8.136 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 3.099 -55.371 7.565 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 1.722 -54.685 7.512 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 4.374 -60.287 -2.516 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 4.418 -59.781 -1.691 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 4.500 -61.219 -2.229 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 10.644 -61.124 1.302 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 11.256 -61.038 2.068 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 11.211 -61.484 0.590 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 9.917 -58.959 -0.191 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 8.985 -58.725 -0.078 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 10.036 -59.755 0.376 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 7.608 -56.072 -5.072 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 6.624 -56.109 -5.064 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 7.873 -56.718 -4.380 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 6.428 -51.578 -7.282 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 5.501 -51.486 -6.970 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 6.826 -52.216 -6.647 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 5.439 -56.978 2.607 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 5.628 -56.397 3.387 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 4.846 -56.433 2.036 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 13.355 -51.367 -9.075 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 13.153 -52.107 -9.683 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 14.303 -51.179 -9.230 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 16.018 -50.632 -8.999 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 16.916 -50.918 -9.295 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 15.807 -49.872 -9.580 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 7.152 -53.368 -5.364 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 7.376 -54.319 -5.351 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 6.395 -53.293 -4.748 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 -0.244 -58.668 -4.708 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 0.581 -59.020 -4.315 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 -0.002 -57.787 -5.017 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 12.568 -60.717 3.196 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 13.518 -60.931 3.271 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 12.545 -59.730 3.180 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 12.684 -58.688 0.304 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 12.826 -58.319 1.208 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 11.727 -58.590 0.155 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 15.326 -60.720 3.473 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 15.973 -61.045 4.122 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 15.113 -59.815 3.785 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 10.754 -58.439 -2.805 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 9.832 -58.365 -3.134 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 10.651 -58.779 -1.894 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 4.838 -56.099 -4.987 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 4.185 -56.394 -4.318 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 4.791 -56.791 -5.687 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 6.536 -57.662 -0.964 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 5.779 -57.090 -0.773 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 6.665 -58.172 -0.134 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 11.934 -52.825 6.695 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 12.303 -52.643 7.586 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 11.726 -51.956 6.343 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 12.256 -51.422 -6.645 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 12.746 -51.488 -7.501 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 11.505 -50.858 -6.851 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 4.549 -58.166 -6.683 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 3.615 -58.408 -6.857 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 4.964 -58.157 -7.577 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 12.246 -53.334 -10.639 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 12.407 -53.070 -11.571 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 11.290 -53.160 -10.504 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 3.743 -58.802 8.213 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 4.502 -58.819 7.573 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 3.114 -59.460 7.858 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 1.883 -58.788 -6.753 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 2.073 -59.056 -5.826 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 1.048 -59.224 -6.958 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 3.035 -57.840 5.326 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 3.646 -57.117 5.623 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 2.976 -58.424 6.090 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 16.185 -57.213 -4.759 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 16.223 -58.192 -4.658 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 17.127 -56.952 -4.879 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 8.420 -60.609 2.915 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 9.083 -60.926 2.270 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 8.879 -60.670 3.775 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 12.531 -57.561 6.526 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 12.110 -56.698 6.721 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 12.064 -57.873 5.709 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 8.897 -61.686 6.970 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 8.581 -60.770 7.077 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 9.540 -61.628 6.235 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 7.162 -62.970 8.633 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 7.199 -63.901 8.404 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 7.818 -62.547 8.031 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 10.393 -60.731 4.850 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 10.479 -59.746 4.839 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 11.202 -61.039 4.393 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 1.086 -55.362 -7.004 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 1.617 -54.571 -7.248 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 1.736 -56.070 -6.930 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 12.334 -53.564 -5.035 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 12.302 -52.744 -5.582 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 13.141 -54.023 -5.341 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 15.308 -62.005 -4.866 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 15.873 -62.608 -5.355 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 15.850 -61.193 -4.771 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 16.503 -55.095 -3.057 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 16.278 -55.945 -3.484 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 17.460 -55.010 -3.199 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 13.914 -60.622 -2.951 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 14.261 -61.291 -3.580 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 14.690 -60.381 -2.408 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 -1.187 -57.816 2.159 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 -1.492 -58.479 1.510 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 -0.313 -57.534 1.822 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 18.193 -57.212 8.958 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 18.308 -56.330 9.395 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 17.215 -57.300 8.869 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 16.344 -60.073 -1.496 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 17.264 -59.789 -1.318 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 16.080 -60.558 -0.680 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 15.425 -61.471 0.677 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 14.485 -61.588 0.435 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 15.401 -61.226 1.621 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 -1.436 -57.034 4.766 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 -0.551 -56.620 4.815 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 -1.477 -57.394 3.852 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 -1.377 -61.546 3.087 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 -1.775 -62.284 3.609 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 -0.464 -61.508 3.393 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 -1.043 -49.407 -3.120 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 -0.117 -49.103 -3.118 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 -1.521 -48.708 -3.614 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 3.992 -51.854 -5.974 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 3.133 -51.437 -5.721 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 4.284 -52.308 -5.159 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 14.720 -53.886 16.644 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 15.546 -53.531 16.258 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 14.607 -53.378 17.473 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 3.525 -56.153 15.899 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 3.185 -56.436 16.769 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 3.320 -55.190 15.865 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 0.167 -58.945 14.666 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 0.721 -59.742 14.796 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 0.150 -58.517 15.555 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 6.164 -50.924 18.994 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 6.573 -50.048 18.929 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 6.825 -51.527 18.582 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 9.963 -53.480 11.539 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 10.355 -53.842 10.719 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 9.428 -54.223 11.896 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 2.251 -48.500 24.001 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 3.041 -48.369 23.437 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 1.578 -47.902 23.604 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 1.854 -54.511 12.840 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 1.817 -53.960 13.639 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 1.306 -55.291 13.066 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 14.315 -52.230 18.848 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 13.340 -52.123 18.841 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 14.560 -52.098 19.784 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 8.851 -55.756 12.469 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 8.445 -56.321 13.168 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 9.259 -56.395 11.852 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 10.026 -57.043 10.297 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 10.327 -57.760 9.691 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 9.222 -56.678 9.847 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 8.451 -58.940 7.256 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 8.488 -58.053 6.848 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 9.300 -59.009 7.748 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 13.467 -55.541 14.946 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 13.919 -56.339 15.238 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 13.844 -54.830 15.519 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 1.630 -61.304 14.599 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 1.768 -62.119 15.091 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 2.400 -61.241 14.021 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 2.906 -53.514 15.872 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 3.174 -53.054 16.688 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 2.011 -53.151 15.674 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 10.777 -53.266 17.091 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 11.028 -52.839 17.943 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 11.555 -53.787 16.851 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 7.915 -56.224 8.826 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 6.962 -56.230 9.054 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 7.927 -56.219 7.853 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 10.685 -52.498 14.374 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 10.585 -52.850 15.281 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 10.162 -53.099 13.824 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 3.002 -50.649 25.751 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 2.923 -49.894 25.143 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 3.956 -50.693 25.956 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 3.865 -59.778 10.744 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 3.781 -59.397 9.844 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 4.752 -60.207 10.733 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 -0.305 -54.981 16.254 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 -0.434 -54.631 17.155 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 -0.035 -54.186 15.731 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 5.769 -50.803 26.006 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 6.511 -50.243 25.678 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 6.079 -51.126 26.860 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 11.122 -51.042 11.122 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 11.709 -51.314 10.393 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 10.629 -51.862 11.349 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 11.421 -54.734 9.542 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 11.142 -55.571 9.955 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 11.307 -54.896 8.581 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 6.286 -60.703 9.898 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 6.481 -61.600 9.544 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 6.935 -60.137 9.468 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 6.129 -55.490 11.764 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 5.759 -56.060 12.469 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 7.087 -55.478 11.945 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 4.695 -56.937 13.608 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 3.921 -57.093 13.030 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 4.295 -56.650 14.470 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 12.803 -52.400 9.313 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 12.410 -53.271 9.550 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 13.631 -52.358 9.835 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 12.522 -60.135 10.184 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 12.898 -60.854 10.694 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 12.559 -59.362 10.791 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 14.986 -55.013 10.596 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 14.252 -55.213 11.217 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 15.054 -54.035 10.616 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 1.510 -61.165 10.283 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 2.381 -60.833 10.579 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 0.889 -60.858 10.975 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 7.360 -57.327 14.074 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 6.389 -57.202 13.975 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 7.442 -58.125 14.601 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 4.870 -51.469 23.483 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 5.258 -51.312 24.368 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 4.136 -52.070 23.652 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 8.168 -52.144 17.548 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 7.757 -51.909 16.690 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 8.855 -52.799 17.315 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 12.408 -48.424 23.554 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 12.526 -48.765 22.644 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 12.661 -47.481 23.491 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 15.266 -52.323 10.763 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 15.728 -51.531 10.416 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 15.689 -52.482 11.642 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 12.818 -55.259 12.323 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 12.127 -54.581 12.295 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 13.065 -55.313 13.278 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 3.636 -52.016 18.172 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 4.494 -51.743 18.553 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 3.459 -51.344 17.479 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 1.329 -60.102 7.796 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 0.462 -60.302 7.424 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 1.368 -60.643 8.621 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 14.917 -51.557 21.509 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 15.839 -51.849 21.298 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 15.033 -50.946 22.279 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 8.281 -56.471 5.992 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 7.489 -56.099 5.512 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 8.854 -56.804 5.281 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 5.121 -56.351 8.927 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 4.786 -57.257 9.036 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 4.981 -56.160 7.968 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 5.801 -58.427 6.541 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 5.904 -57.603 6.032 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 6.719 -58.719 6.718 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 15.026 -49.636 23.388 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 15.182 -48.856 22.818 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 14.245 -49.394 23.909 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 16.746 -53.056 12.980 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 16.498 -52.936 13.916 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 17.608 -53.495 13.020 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 12.300 -57.892 11.705 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 12.674 -57.034 11.986 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 11.426 -57.661 11.344 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 12.604 -52.970 21.921 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 12.790 -53.660 22.563 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 13.454 -52.491 21.829 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 15.479 -57.160 9.002 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 15.266 -56.390 9.578 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 14.621 -57.555 8.807 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 10.917 -58.798 8.412 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 11.530 -58.459 7.725 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 11.458 -59.453 8.911 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 1.968 -54.050 19.058 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 1.095 -53.674 18.820 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 2.600 -53.328 18.861 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 5.487 -49.817 21.431 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 5.628 -50.349 20.618 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 5.257 -50.488 22.120 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 7.807 -49.230 25.047 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 7.703 -48.875 24.137 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 8.756 -49.506 25.086 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 10.416 -49.926 24.671 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 11.115 -49.294 24.392 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 10.625 -50.733 24.192 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 4.457 -47.581 22.588 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 4.734 -48.388 22.091 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 4.655 -46.843 21.973 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 11.628 -52.178 19.484 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 11.160 -51.346 19.704 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 11.822 -52.581 20.361 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 13.045 -49.477 21.071 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 13.680 -48.739 20.949 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 13.612 -50.269 21.132 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 19.049 -51.180 14.616 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 18.479 -50.422 14.339 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 19.676 -50.786 15.234 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 9.837 -39.751 -15.070 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 10.330 -39.326 -14.336 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 10.422 -40.476 -15.361 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 5.425 -41.299 -17.882 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 5.718 -40.590 -18.501 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 5.888 -42.106 -18.207 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 10.448 -34.535 -16.902 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 10.868 -35.196 -16.305 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 9.536 -34.859 -17.007 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 5.436 -39.090 -16.113 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 5.644 -39.862 -16.679 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 4.473 -39.101 -16.047 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 15.382 -46.224 -15.933 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 16.062 -46.672 -15.371 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 15.859 -45.456 -16.315 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.379 -43.320 -18.788 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 11.939 -43.722 -18.091 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 11.548 -42.377 -18.711 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 2.572 -50.020 -21.570 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 1.758 -49.764 -22.076 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 2.789 -50.897 -21.903 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 3.388 -41.761 -16.139 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 2.581 -41.589 -16.660 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 4.118 -41.680 -16.791 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 3.962 -47.670 -21.110 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 3.520 -48.532 -21.283 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 4.303 -47.402 -21.970 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 16.652 -43.952 -16.739 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 16.908 -43.392 -15.993 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 17.366 -43.842 -17.375 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 3.281 -46.734 -16.501 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 3.856 -47.255 -17.097 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 3.093 -45.929 -16.998 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 7.678 -34.861 -16.342 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 7.916 -34.928 -15.400 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 7.478 -33.911 -16.473 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 10.988 -46.200 -12.728 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 11.679 -46.090 -13.411 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 11.430 -45.919 -11.895 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 5.959 -49.612 -16.419 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 6.933 -49.576 -16.506 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 5.628 -49.112 -17.192 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 15.234 -35.670 -12.707 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 15.555 -34.913 -12.178 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 15.705 -36.451 -12.325 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 12.960 -44.134 -16.686 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 13.885 -44.301 -16.924 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 12.743 -44.858 -16.059 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 6.766 -43.472 -18.859 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 7.574 -43.463 -19.422 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 6.791 -44.330 -18.429 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 8.651 -35.922 -13.924 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 8.764 -36.263 -13.016 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 8.156 -36.642 -14.380 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 0.960 -43.268 -18.836 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 1.748 -43.067 -19.354 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 0.827 -42.469 -18.284 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 1.303 -29.927 -20.805 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 0.378 -29.611 -20.817 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 1.758 -29.301 -20.212 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 4.644 -48.222 -18.430 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 4.719 -47.893 -19.346 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 3.849 -48.801 -18.451 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 12.044 -42.644 -10.804 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 12.043 -43.623 -10.628 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 12.705 -42.294 -10.194 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 0.384 -49.415 -23.014 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 0.027 -48.503 -22.893 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 -0.241 -49.832 -23.614 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 -0.068 -45.334 -20.697 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 0.544 -45.958 -20.254 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 0.016 -44.517 -20.182 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 11.390 -42.063 -15.572 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 12.057 -42.675 -15.938 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 10.667 -42.639 -15.297 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -0.760 -46.938 -22.811 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -1.350 -46.404 -23.349 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 -0.555 -46.364 -22.036 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 14.005 -48.557 -16.355 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 14.599 -47.782 -16.289 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 13.605 -48.473 -17.246 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 13.142 -33.241 -9.617 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 12.772 -34.151 -9.666 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 13.689 -33.249 -8.802 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 9.109 -43.818 -20.185 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 9.906 -43.708 -19.618 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 9.456 -43.820 -21.080 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 12.538 -47.823 -18.553 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 12.152 -47.505 -19.372 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 11.830 -47.692 -17.884 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 11.095 -36.329 -15.065 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 10.204 -36.118 -14.708 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 11.228 -37.262 -14.833 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 8.098 -37.657 -11.847 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 7.849 -38.054 -12.708 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 7.313 -37.123 -11.594 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 9.341 -38.322 -9.517 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 9.983 -38.949 -9.895 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 8.784 -38.066 -10.282 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 16.347 -37.912 -11.534 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 16.385 -37.906 -10.558 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 16.541 -38.841 -11.773 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 4.725 -32.442 -21.053 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 3.745 -32.536 -21.136 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 5.061 -33.331 -21.215 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 6.460 -39.164 -19.168 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 7.375 -39.143 -19.457 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 6.313 -38.276 -18.769 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 2.043 -32.529 -21.456 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 1.750 -31.644 -21.152 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 1.304 -32.858 -21.975 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 7.579 -38.326 -14.540 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 6.801 -38.651 -15.044 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 8.319 -38.905 -14.839 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 12.209 -35.775 -9.910 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 12.669 -36.536 -9.481 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 12.291 -35.958 -10.871 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 10.778 -47.593 -16.461 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 10.127 -47.141 -15.890 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 11.382 -48.029 -15.828 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 13.022 -45.917 -14.547 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 13.846 -46.224 -14.983 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 13.322 -45.190 -13.956 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 14.152 -34.778 -15.045 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 14.652 -35.054 -14.244 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 14.379 -35.441 -15.704 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 2.259 -49.480 -18.871 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 1.802 -50.199 -18.372 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 2.269 -49.802 -19.797 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 0.587 -27.349 -22.699 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 1.110 -28.025 -23.178 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 -0.291 -27.368 -23.134 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 11.182 -38.402 -13.104 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 11.665 -37.613 -12.786 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 11.070 -38.953 -12.299 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 8.977 -47.314 -14.267 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 8.152 -47.407 -13.738 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 9.621 -46.914 -13.639 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 -1.025 -28.402 -20.712 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 -1.742 -28.411 -21.378 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 -0.339 -27.829 -21.116 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 15.295 -33.111 -11.386 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 14.494 -33.234 -10.837 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 15.775 -32.375 -10.948 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 13.376 -37.880 -8.609 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 13.599 -37.724 -7.657 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 13.156 -38.830 -8.648 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 12.557 -36.045 -12.632 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 13.538 -35.955 -12.630 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 12.301 -35.810 -13.545 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 11.184 -39.979 -10.830 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 11.901 -39.909 -10.173 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 11.196 -40.921 -11.090 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 17.296 -43.331 -10.858 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 17.624 -43.726 -10.017 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 16.716 -42.618 -10.571 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 14.873 -41.679 -13.677 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 14.108 -41.277 -14.103 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 14.557 -42.570 -13.410 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 1.811 -46.861 -19.418 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 2.556 -46.842 -20.050 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 1.815 -47.784 -19.078 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 0.956 -40.950 -17.207 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 1.108 -40.051 -16.859 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 0.016 -41.137 -16.986 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 0.930 -47.895 -15.476 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 1.533 -47.308 -15.979 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 0.062 -47.451 -15.531 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 12.707 -32.467 -15.125 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 13.168 -33.334 -15.213 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 12.294 -32.326 -15.994 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 2.393 -29.420 -23.276 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 3.278 -29.825 -23.323 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 2.040 -29.719 -22.415 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 16.001 -35.757 -7.374 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 16.749 -35.377 -6.866 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 15.510 -34.975 -7.691 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 14.875 -33.213 -7.456 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 14.823 -33.354 -6.492 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 15.260 -32.315 -7.541 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 9.968 -35.903 -8.311 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 10.774 -35.812 -8.858 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 9.608 -36.780 -8.563 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 15.751 -30.587 -7.414 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 15.901 -29.696 -7.804 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 15.317 -30.400 -6.553 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 14.283 -37.572 -6.075 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 14.974 -36.910 -6.260 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 14.399 -37.781 -5.121 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 15.364 -35.931 -1.509 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.638 -35.377 -0.749 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 14.604 -36.471 -1.153 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 16.521 -40.205 -4.182 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 16.431 -40.517 -3.265 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 15.998 -39.381 -4.203 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 17.007 -50.488 9.581 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 17.514 -51.274 9.346 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 17.244 -49.839 8.883 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 2.810 -27.432 -6.432 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 3.541 -28.087 -6.328 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 2.639 -27.434 -7.390 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 13.193 -46.631 18.970 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 12.392 -46.317 19.430 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 13.926 -46.224 19.462 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 15.719 -45.600 19.916 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 15.845 -45.378 18.964 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 16.270 -44.960 20.378 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 10.536 -49.666 20.070 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 10.044 -48.852 20.294 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 11.436 -49.511 20.438 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 14.806 -47.443 21.698 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 14.345 -46.792 22.267 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 15.261 -46.891 21.024 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 17.927 -39.930 17.716 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 18.133 -40.086 16.769 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 16.955 -39.835 17.737 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 11.277 -43.965 22.925 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 11.882 -43.213 23.094 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 10.398 -43.635 23.225 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 17.689 -48.856 14.108 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 18.096 -48.301 13.410 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 16.738 -48.589 14.098 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 16.417 -34.739 18.956 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 15.991 -35.260 19.669 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 17.212 -35.259 18.732 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 12.986 -41.817 23.439 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 12.225 -41.279 23.105 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 13.683 -41.675 22.783 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 9.009 -47.356 20.515 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 8.290 -47.484 19.866 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 8.591 -47.569 21.378 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 13.307 -45.802 23.347 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 12.556 -45.217 23.095 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 13.691 -45.371 24.120 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 8.604 -43.541 28.122 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 9.566 -43.574 28.086 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 8.319 -43.791 27.213 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 13.368 -33.385 25.697 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 12.478 -33.785 25.712 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 13.247 -32.514 26.115 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 16.154 -36.815 20.755 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 16.998 -37.027 21.166 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 15.493 -37.234 21.340 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 11.119 -45.552 20.585 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 11.026 -45.112 21.455 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 10.347 -46.161 20.540 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 1.782 -30.776 22.957 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 2.368 -30.606 22.194 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 2.141 -31.603 23.354 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 7.417 -32.258 26.501 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.607 -31.903 26.078 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 7.399 -33.215 26.275 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 8.633 -36.884 24.553 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 9.071 -36.432 23.791 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 8.395 -37.751 24.205 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 3.426 -40.354 23.636 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 2.894 -39.814 22.993 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 2.992 -40.200 24.493 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 6.860 -44.775 29.872 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 7.518 -44.288 29.338 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 6.787 -45.628 29.435 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 10.688 -40.690 22.648 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 10.157 -39.893 22.424 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 10.039 -41.305 23.035 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 4.862 -44.104 25.534 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 4.662 -45.065 25.517 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 4.354 -43.741 24.773 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 6.969 -41.381 22.583 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 7.113 -40.451 22.375 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 6.111 -41.590 22.163 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 8.962 -42.746 23.829 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 8.197 -42.296 23.395 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 8.545 -43.312 24.516 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 1.668 -44.374 21.788 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 1.423 -43.775 21.053 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 2.202 -43.815 22.385 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 7.354 -48.128 22.544 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 6.736 -47.386 22.600 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 6.835 -48.838 22.106 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 7.598 -44.314 25.698 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.660 -44.051 25.567 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 7.548 -45.285 25.871 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 16.142 -30.524 19.401 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 16.913 -29.980 19.601 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 16.506 -31.282 18.907 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 17.273 -32.489 17.746 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 18.020 -32.916 17.277 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 16.839 -33.234 18.229 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 14.072 -39.711 24.970 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 13.595 -39.487 25.777 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 13.644 -40.533 24.657 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 9.096 -38.537 21.980 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 8.751 -38.618 21.072 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 9.390 -37.602 22.046 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 19.002 -40.502 22.603 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 18.025 -40.501 22.679 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 19.170 -40.404 21.644 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 12.551 -43.206 19.865 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 11.991 -42.568 20.317 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 12.109 -44.064 20.019 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 14.070 -42.797 17.656 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 13.461 -42.205 17.183 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 13.624 -42.958 18.517 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 17.063 -49.081 16.838 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 17.395 -48.940 15.933 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 16.344 -48.423 16.935 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 -2.678 -49.302 21.540 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 -2.381 -49.877 22.286 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 -2.419 -49.808 20.734 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 11.085 -32.432 23.341 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 10.412 -32.922 22.799 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 10.603 -31.645 23.664 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 10.081 -50.162 17.481 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 9.402 -50.863 17.531 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 10.285 -49.959 18.419 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 3.528 -43.035 23.409 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 3.449 -42.080 23.630 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 4.077 -43.038 22.597 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 4.356 -46.801 25.221 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 4.500 -47.004 24.271 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 3.511 -47.225 25.425 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 12.628 -36.207 22.086 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 12.631 -36.286 21.115 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 11.674 -36.113 22.316 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 1.106 -38.565 28.642 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 0.816 -38.379 27.733 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 2.072 -38.722 28.555 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 4.975 -43.187 31.101 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 5.496 -42.391 31.311 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 5.642 -43.834 30.786 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 10.876 -34.528 25.058 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 10.518 -35.264 24.536 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 10.994 -33.807 24.402 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 16.273 -40.216 23.106 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 15.904 -40.157 24.000 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 15.849 -39.480 22.628 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 6.939 -46.890 26.251 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 7.303 -47.745 25.944 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 5.991 -46.937 26.022 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 0.335 -50.279 25.028 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 0.996 -50.819 25.506 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 0.879 -49.666 24.494 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 6.879 -41.393 28.542 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 7.516 -42.110 28.354 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 6.128 -41.576 27.948 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 2.081 -40.728 26.023 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 2.966 -40.900 26.404 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 1.474 -41.261 26.589 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 9.539 -37.299 32.605 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 10.144 -36.953 33.264 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 9.475 -36.603 31.948 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 5.181 -36.566 26.046 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 5.201 -37.059 25.188 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 5.058 -37.256 26.712 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 4.413 -39.039 30.892 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 5.103 -39.727 31.021 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 4.493 -38.477 31.666 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 1.388 -40.687 30.500 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 1.542 -40.199 31.314 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 1.085 -40.006 29.866 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 2.839 -35.266 25.361 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 2.545 -35.904 24.662 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 3.686 -35.641 25.686 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 4.397 -41.970 27.274 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 3.898 -42.356 28.031 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 4.604 -42.745 26.703 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 7.197 -34.792 25.496 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 6.416 -35.308 25.797 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 7.860 -35.484 25.262 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 14.535 -38.068 22.682 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 14.319 -38.450 23.554 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 13.844 -37.382 22.544 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 0.729 -38.295 25.740 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 1.151 -39.176 25.827 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 1.235 -37.858 25.011 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 6.464 -40.806 31.112 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 7.336 -40.606 31.468 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 6.628 -40.970 30.149 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 3.765 -39.293 28.259 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 4.180 -40.137 28.013 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 4.000 -39.177 29.209 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 4.663 -37.867 23.738 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 4.589 -38.819 23.553 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 3.759 -37.520 23.559 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 0.314 -35.588 26.433 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 1.184 -35.240 26.147 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 0.373 -36.543 26.260 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 0.586 -46.655 22.790 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 1.040 -45.868 22.396 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 0.057 -46.284 23.527 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 3.043 -32.847 24.136 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 2.868 -33.707 24.581 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 3.833 -32.501 24.593 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 3.839 -24.335 -16.035 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 3.084 -24.037 -16.587 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 4.074 -23.540 -15.502 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 11.393 -29.163 -16.678 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 11.290 -30.026 -17.125 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 11.619 -29.400 -15.753 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 10.321 -22.630 -17.500 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 10.645 -23.529 -17.271 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 10.471 -22.569 -18.460 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 8.375 -25.366 -20.894 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 7.578 -25.364 -21.460 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 8.402 -26.277 -20.527 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 4.656 -26.169 -20.235 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 5.310 -25.864 -20.897 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 3.792 -25.914 -20.622 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 14.683 -25.513 -12.640 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 15.569 -25.491 -13.010 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 14.620 -24.686 -12.116 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 6.098 -19.785 -15.021 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 6.068 -19.272 -15.835 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 5.527 -19.278 -14.394 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 11.353 -25.143 -17.753 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 10.710 -25.881 -17.626 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 11.192 -24.842 -18.671 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 3.990 -26.556 -17.600 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 4.146 -25.728 -17.091 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 4.395 -26.376 -18.478 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 9.080 -31.104 -15.365 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 8.833 -30.390 -14.739 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 8.225 -31.386 -15.757 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 6.273 -36.873 -17.684 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 6.735 -36.136 -17.235 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 6.014 -37.471 -16.961 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 11.591 -22.777 -11.973 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 11.001 -22.097 -11.564 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 11.285 -22.833 -12.890 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 7.551 -22.252 -17.623 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 8.526 -22.297 -17.575 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 7.364 -22.144 -18.561 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 4.417 -18.649 -13.185 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.449 -18.672 -13.152 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 4.688 -18.669 -12.250 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 4.638 -22.157 -14.663 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 5.242 -21.403 -14.818 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 3.897 -21.768 -14.151 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 12.505 -26.870 -13.482 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 12.603 -26.789 -14.466 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 13.299 -26.397 -13.128 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 1.236 -18.949 -12.136 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 0.333 -19.237 -12.384 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 1.089 -18.291 -11.433 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 6.864 -24.093 -15.719 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 5.950 -23.881 -15.466 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 7.080 -23.427 -16.413 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 1.758 -27.676 -18.994 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 1.172 -27.062 -18.488 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 2.634 -27.571 -18.566 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 9.733 -26.806 -13.202 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 10.679 -26.852 -13.448 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 9.405 -26.000 -13.664 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 8.347 -27.857 -19.749 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 8.794 -27.540 -18.934 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 8.657 -28.789 -19.841 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 6.131 -25.562 -22.505 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 6.308 -25.046 -23.296 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 5.544 -26.294 -22.823 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 9.627 -27.185 -17.410 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 8.852 -27.158 -16.804 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 10.156 -27.953 -17.092 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 3.937 -21.427 -10.927 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 4.830 -21.802 -11.098 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 3.487 -21.465 -11.804 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 10.514 -23.936 -20.089 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 10.997 -23.838 -20.916 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 9.684 -24.409 -20.351 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 4.502 -27.555 -23.269 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 3.592 -27.759 -23.534 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 4.854 -28.412 -22.955 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 7.282 -26.802 -16.062 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 7.158 -25.838 -15.932 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 6.459 -27.093 -16.468 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 10.356 -21.928 -14.787 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 10.832 -21.099 -14.656 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 10.419 -22.092 -15.755 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 0.916 -22.931 -14.883 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 0.611 -23.769 -14.464 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 1.155 -23.195 -15.799 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 8.211 -24.166 -11.396 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 7.636 -23.381 -11.293 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 8.512 -24.121 -12.328 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 8.451 -29.261 -13.426 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 7.685 -29.010 -12.875 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 8.932 -28.417 -13.559 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 2.446 -21.298 -13.208 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 1.819 -21.853 -13.722 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 1.921 -20.510 -12.959 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 7.781 -21.448 -13.635 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 7.275 -20.840 -14.215 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 8.635 -21.555 -14.086 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 9.925 -21.213 -10.523 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 10.339 -21.272 -9.644 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 9.164 -20.619 -10.389 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 9.055 -24.290 -14.043 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 9.601 -23.534 -14.335 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 8.253 -24.237 -14.612 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 14.082 -23.507 -10.909 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 13.279 -23.097 -11.298 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 13.735 -24.231 -10.353 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 12.822 -26.811 -16.129 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 12.523 -26.093 -16.723 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 12.454 -27.622 -16.531 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 13.764 -29.563 -11.033 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 14.473 -29.949 -10.488 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 13.847 -30.032 -11.889 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 5.724 -28.626 -19.602 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 5.203 -27.842 -19.859 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 6.655 -28.318 -19.653 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 1.216 -23.325 -20.082 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 1.621 -24.124 -20.483 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 0.592 -23.020 -20.745 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 12.253 -29.571 -14.114 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 12.442 -28.647 -13.865 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 13.090 -30.045 -13.932 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 2.045 -25.780 -21.032 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 1.584 -26.163 -21.811 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 1.936 -26.457 -20.339 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.976 -18.894 -10.432 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 4.735 -19.832 -10.598 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 4.276 -18.579 -9.819 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 14.154 -31.277 -13.144 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 13.783 -31.787 -13.899 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 14.699 -31.933 -12.660 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 6.894 -32.166 -16.597 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 6.720 -31.830 -17.507 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 6.010 -32.289 -16.218 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 10.782 -31.860 -17.321 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 10.723 -32.844 -17.340 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 10.152 -31.597 -16.610 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 6.299 -31.244 -19.121 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 5.716 -31.699 -19.765 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 6.059 -30.292 -19.215 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 5.129 -30.168 -22.570 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 6.092 -30.153 -22.631 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 4.939 -30.931 -21.984 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 9.000 -30.481 -19.476 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 9.674 -30.970 -18.975 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 8.171 -30.964 -19.300 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 9.847 -13.512 -1.508 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 9.187 -14.044 -1.968 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 10.604 -13.480 -2.130 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 1.746 -29.931 -5.352 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 1.680 -30.897 -5.377 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 2.605 -29.741 -5.778 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 6.342 -20.030 -1.687 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 6.485 -20.929 -2.025 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 6.497 -19.455 -2.475 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 10.904 -20.197 -2.475 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 10.563 -20.420 -1.583 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 10.489 -20.871 -3.064 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 11.506 -17.525 -2.567 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 11.230 -18.470 -2.551 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 12.409 -17.548 -2.937 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 9.948 -20.608 0.153 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 9.140 -20.206 0.535 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 10.563 -20.683 0.910 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 9.848 -20.038 -7.047 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 9.685 -19.966 -6.100 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 9.408 -19.248 -7.426 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 9.803 -22.079 -4.073 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 9.915 -22.866 -4.614 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 8.831 -21.977 -3.996 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 11.263 -22.079 -8.087 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 10.746 -21.365 -7.641 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 12.180 -21.948 -7.758 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 6.248 -18.416 -3.795 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 5.789 -18.204 -4.643 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 6.689 -17.574 -3.549 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 14.369 -30.245 -5.098 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 14.332 -31.200 -4.869 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 13.428 -29.991 -5.225 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 9.869 -15.635 -3.620 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 10.553 -14.939 -3.690 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 10.361 -16.414 -3.264 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 3.544 -13.190 -3.516 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 3.121 -13.230 -2.630 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 3.194 -13.986 -3.986 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 13.832 -21.643 -7.144 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 14.379 -20.895 -7.402 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 14.347 -22.428 -7.430 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 6.793 -28.477 -4.762 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 6.629 -28.505 -5.741 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 5.921 -28.599 -4.377 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 1.555 -21.232 -9.493 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 1.408 -22.165 -9.213 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 2.386 -21.272 -10.016 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 10.962 -24.253 -9.723 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 10.957 -23.537 -9.046 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 11.084 -23.774 -10.572 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 8.318 -17.880 -7.904 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 8.303 -17.258 -7.140 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 7.936 -17.356 -8.642 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 16.932 -24.086 -6.159 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 16.210 -24.309 -5.561 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 16.485 -23.882 -7.009 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 14.188 -17.717 -3.410 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 13.910 -18.623 -3.697 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 14.880 -17.477 -4.033 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 7.073 -21.733 -4.112 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 6.879 -22.382 -4.816 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 6.808 -20.885 -4.496 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 7.234 -16.057 -2.882 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 8.191 -15.961 -3.068 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 6.839 -15.226 -3.225 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 13.157 -20.067 -4.288 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 13.126 -20.729 -4.996 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 12.375 -20.266 -3.737 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 6.902 -16.657 -9.885 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 6.239 -17.207 -10.330 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 6.904 -15.834 -10.383 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 2.644 -18.691 -9.012 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 1.985 -18.083 -9.411 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 2.240 -19.578 -9.112 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 8.088 -16.023 -5.877 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 8.802 -15.936 -5.220 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 7.356 -15.518 -5.500 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 5.006 -17.542 -6.031 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 5.448 -17.323 -6.858 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 4.055 -17.420 -6.226 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 2.322 -17.290 -6.690 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 2.573 -17.875 -7.436 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 1.348 -17.257 -6.737 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 -0.098 -17.365 -4.387 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 -0.444 -17.160 -5.271 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 -0.379 -16.604 -3.840 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 6.603 -21.924 -11.285 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 6.968 -21.759 -12.193 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 7.045 -21.249 -10.725 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.527 -19.799 -9.797 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.854 -19.261 -9.047 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 6.684 -19.370 -10.046 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 9.097 -24.107 6.597 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 9.898 -24.113 7.130 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 9.294 -23.468 5.877 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 2.363 -15.238 -4.835 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 1.478 -14.886 -5.067 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 2.498 -15.974 -5.467 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 -0.925 -15.120 -3.041 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 -1.896 -14.985 -3.063 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 -0.593 -14.591 -3.800 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 18.075 -21.070 -2.037 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 18.150 -21.586 -2.876 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 17.591 -20.276 -2.291 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 18.508 -23.429 -0.687 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 18.984 -23.989 -1.336 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 18.222 -22.649 -1.209 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 15.191 -23.737 -8.319 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 15.237 -23.411 -9.237 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 14.701 -24.580 -8.393 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 11.970 -27.515 -10.846 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 12.552 -28.309 -10.800 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 12.045 -27.223 -11.780 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 13.279 -25.605 -9.267 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 12.404 -25.170 -9.172 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 13.073 -26.452 -9.705 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 14.016 -15.954 -1.318 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 14.174 -16.580 -2.059 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 14.121 -15.081 -1.718 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 6.295 -14.687 2.436 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 6.535 -13.750 2.565 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 5.460 -14.653 1.945 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 -0.479 -17.436 -7.373 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 -0.357 -18.413 -7.270 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 -1.359 -17.260 -6.975 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 -3.038 -12.857 -9.736 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 -3.216 -12.187 -10.406 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 -3.634 -13.580 -9.957 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 5.636 -19.173 13.423 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 5.395 -19.045 14.353 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 5.383 -18.327 12.992 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 9.745 -18.477 15.572 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 9.493 -19.376 15.903 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 9.851 -17.955 16.376 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 17.771 -24.196 20.702 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 17.684 -25.061 20.254 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 18.719 -24.063 20.777 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 14.824 -24.760 17.569 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 14.408 -25.524 18.030 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 15.088 -24.153 18.304 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 8.457 -16.789 13.705 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 9.029 -17.338 14.279 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 7.673 -16.601 14.263 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 11.882 -18.256 13.854 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 12.091 -19.169 13.550 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 11.183 -18.381 14.528 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 10.676 -22.690 12.115 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 10.294 -23.435 11.645 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 11.063 -23.094 12.932 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 13.529 -27.106 23.396 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 14.438 -27.041 23.062 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 13.004 -26.586 22.751 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 6.171 -16.649 15.282 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 5.982 -17.441 15.834 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 5.860 -15.911 15.819 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.229 -22.957 21.427 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 4.064 -22.468 21.538 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 3.118 -23.020 20.452 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 8.392 -15.257 11.285 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 8.871 -14.424 11.459 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 8.478 -15.760 12.122 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 5.323 -21.102 21.167 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 4.740 -20.413 21.528 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 5.246 -20.992 20.187 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 17.176 -15.480 10.123 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 16.827 -14.945 10.864 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 18.073 -15.120 9.975 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 5.781 -17.575 21.677 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 4.918 -18.032 21.670 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 6.379 -18.207 22.092 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 9.912 -10.722 13.602 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 9.281 -10.039 13.889 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 10.489 -10.849 14.380 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 9.810 -12.818 11.780 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 10.532 -13.399 12.125 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 9.797 -12.057 12.408 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 11.584 -14.656 12.680 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 12.559 -14.594 12.744 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 11.384 -15.545 12.993 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 13.552 -30.752 26.814 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 14.335 -30.992 27.321 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 13.808 -29.921 26.355 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 3.281 -18.848 21.593 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 2.781 -19.051 20.791 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 2.938 -17.963 21.872 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 11.809 -29.301 22.953 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.176 -28.463 23.286 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 10.973 -29.415 23.449 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 15.617 -22.228 9.898 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 15.906 -22.319 10.830 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 14.769 -22.686 9.867 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 8.685 -25.013 24.334 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 7.740 -24.787 24.415 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 8.812 -25.741 24.983 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 2.379 -16.334 22.197 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 2.873 -15.489 22.176 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 1.544 -16.107 22.647 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 13.185 -23.038 21.567 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 12.306 -22.777 21.213 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 13.296 -22.490 22.351 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 7.513 -22.826 20.940 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 7.366 -23.610 21.508 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 6.864 -22.166 21.266 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 0.463 -25.053 23.875 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 0.013 -25.294 23.042 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 0.759 -25.916 24.243 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 9.840 -25.214 21.889 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 8.983 -25.447 21.492 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 9.634 -25.115 22.850 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 14.319 -14.748 13.132 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 14.422 -14.403 14.027 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 15.054 -14.328 12.627 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 10.391 -22.784 18.093 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.635 -22.792 19.037 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 11.199 -23.096 17.633 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 6.116 -15.176 20.416 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 6.923 -14.825 20.806 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 5.940 -16.001 20.930 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 5.291 -18.621 17.024 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 5.099 -19.422 17.556 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 5.059 -17.877 17.621 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 12.695 -18.895 10.227 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 13.026 -18.289 10.929 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 13.311 -18.760 9.491 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.405 -13.505 11.887 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.976 -12.931 12.447 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 16.111 -12.909 11.163 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 12.345 -20.554 12.495 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 11.810 -21.359 12.329 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 12.653 -20.285 11.613 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 2.175 -15.819 16.878 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 3.083 -16.160 16.860 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 2.070 -15.474 17.787 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 5.192 -16.840 12.072 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 5.569 -16.275 12.762 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 5.166 -16.263 11.275 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 13.473 -26.663 18.971 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 13.146 -26.310 19.826 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 12.655 -26.887 18.481 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 6.495 -21.981 16.679 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 5.880 -21.487 17.281 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 6.217 -21.721 15.794 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 0.343 -19.999 26.389 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 0.994 -20.679 26.671 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 0.553 -19.847 25.443 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 5.892 -24.923 24.383 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 5.617 -25.618 24.998 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 5.304 -24.167 24.600 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 10.511 -22.770 20.882 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 9.622 -22.372 20.875 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 10.361 -23.674 21.233 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 2.063 -22.048 27.130 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 2.851 -22.300 26.610 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 1.494 -22.851 27.103 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 1.661 -22.543 23.584 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 2.174 -22.689 22.753 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 1.122 -23.357 23.676 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 16.142 -19.850 8.564 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 15.916 -19.178 9.240 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 15.991 -20.706 9.016 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 1.039 -27.449 25.060 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 0.797 -28.401 25.014 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 1.911 -27.444 25.488 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 14.543 -28.555 25.491 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 15.428 -28.185 25.333 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 13.956 -28.020 24.914 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 3.079 -25.816 26.388 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 3.080 -26.567 27.020 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 2.242 -25.346 26.579 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 8.795 -27.058 26.121 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 8.574 -28.003 26.263 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 9.427 -26.857 26.818 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 9.425 -30.343 24.136 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 8.628 -30.807 23.846 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 9.231 -30.093 25.065 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 10.935 -30.611 27.724 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 11.867 -30.599 27.430 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 10.698 -31.566 27.727 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 2.470 -27.902 28.053 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 1.695 -28.499 27.957 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 2.742 -28.015 28.969 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 7.029 -33.132 23.296 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 7.073 -33.773 24.041 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 7.816 -33.364 22.736 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 8.586 -29.749 26.715 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 9.421 -29.931 27.212 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 8.072 -30.577 26.808 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 5.276 -15.444 9.657 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 5.673 -14.566 9.528 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 5.578 -15.956 8.880 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 16.608 -22.313 12.483 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 16.187 -21.650 13.045 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 17.410 -21.858 12.128 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 13.467 -25.703 12.829 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 12.810 -25.048 13.119 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 14.173 -25.647 13.510 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 11.732 -24.013 14.184 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 12.015 -23.693 15.070 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 11.382 -24.911 14.356 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 9.014 -20.801 16.804 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 9.575 -21.458 17.274 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 8.126 -21.202 16.813 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 12.476 -25.695 21.304 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 12.803 -24.774 21.406 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 11.504 -25.621 21.439 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 16.760 -27.668 23.771 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 17.645 -27.306 23.888 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 16.482 -27.344 22.884 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 15.709 -26.900 21.370 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 14.892 -26.978 20.853 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 16.400 -26.732 20.695 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 0.438 -14.172 22.551 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 -0.024 -14.384 21.720 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 -0.281 -13.914 23.162 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 4.664 -16.288 18.344 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 3.845 -15.957 18.759 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 5.376 -15.939 18.920 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 13.942 -33.882 23.039 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 13.868 -33.824 24.017 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 13.539 -34.743 22.818 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 -0.556 -14.640 19.959 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 -1.052 -13.811 19.765 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 0.312 -14.496 19.543 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 2.327 -15.251 19.548 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 2.051 -15.943 20.180 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 2.666 -14.527 20.122 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 2.999 -13.635 21.695 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 2.132 -13.595 22.156 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 3.178 -12.706 21.439 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 5.414 -12.603 19.337 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 4.659 -12.215 19.826 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 5.550 -13.472 19.758 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 9.671 -12.252 9.078 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 10.141 -11.415 8.997 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 9.767 -12.488 10.032 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 6.986 -25.448 21.782 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 6.600 -25.403 22.683 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 7.081 -26.404 21.608 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 5.399 -31.518 24.772 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 5.932 -32.055 24.141 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 5.052 -30.797 24.235 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 10.049 -33.127 27.291 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 9.119 -32.910 27.114 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 10.292 -33.748 26.573 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 2.333 -20.776 29.565 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 2.227 -21.203 28.690 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 3.163 -21.125 29.900 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 1.212 -19.792 23.731 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 2.045 -19.534 23.306 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 1.217 -20.775 23.687 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 3.750 -23.369 25.281 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 3.024 -23.092 24.686 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 3.479 -24.258 25.597 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 15.313 -30.031 23.251 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 14.882 -29.853 24.105 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 16.008 -29.354 23.193 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 0.205 -29.420 27.734 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 -0.517 -29.993 28.085 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 0.293 -29.699 26.798 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 16.741 -8.994 0.878 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 17.689 -8.953 1.133 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 16.499 -8.071 0.727 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 9.693 -9.251 0.219 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 9.267 -10.111 0.130 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 10.477 -9.428 0.781 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 17.885 -9.621 3.782 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 18.303 -9.120 3.057 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 18.237 -10.533 3.673 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 3.950 -10.020 1.964 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 4.083 -9.216 1.450 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 4.727 -10.051 2.566 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 12.030 -9.554 1.628 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 12.469 -8.758 1.260 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 12.526 -9.738 2.441 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 13.838 -10.155 6.298 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 14.573 -9.689 5.843 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 13.652 -9.588 7.082 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 0.779 -13.595 2.143 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 1.086 -12.751 1.749 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 -0.053 -13.354 2.610 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 8.045 -15.508 4.441 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 7.435 -15.201 3.738 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 8.514 -14.706 4.722 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 13.157 -11.749 3.888 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 13.106 -11.355 4.777 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 13.834 -11.204 3.428 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 12.636 -12.625 -5.736 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 13.459 -12.762 -6.218 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 12.087 -12.114 -6.342 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 12.254 -12.225 1.173 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 12.181 -11.246 1.153 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 12.590 -12.416 2.066 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 7.722 -12.308 3.115 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 8.289 -12.428 2.313 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 8.346 -12.351 3.851 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 1.890 -11.460 0.834 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 1.259 -10.842 0.395 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 2.584 -10.874 1.199 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 10.889 -13.883 3.834 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 11.656 -13.290 3.899 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 10.481 -13.846 4.727 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 11.919 -13.667 -3.310 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 12.177 -13.322 -4.196 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 12.542 -13.229 -2.694 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 15.917 -8.572 5.349 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 15.525 -7.912 4.748 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 16.655 -8.967 4.824 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 3.347 -14.506 1.363 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 2.377 -14.407 1.378 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 3.659 -13.826 2.000 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 4.407 -11.293 5.753 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 4.822 -10.680 5.114 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.575 -10.835 6.022 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 6.034 -10.226 3.707 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 6.526 -11.049 3.467 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 6.705 -9.533 3.662 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 2.005 -10.041 6.347 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 1.610 -9.665 7.173 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 1.590 -9.535 5.639 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 9.460 -13.543 6.119 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 9.816 -13.479 7.021 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 8.549 -13.186 6.198 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 15.899 -9.763 11.841 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 15.851 -10.466 11.149 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 15.061 -9.838 12.313 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 4.010 -12.607 3.159 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 3.814 -11.796 2.656 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 4.066 -12.308 4.081 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 7.397 -13.747 8.925 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 8.169 -13.134 8.922 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 7.643 -14.430 9.584 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 14.715 -9.790 2.755 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 15.506 -9.815 2.184 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 14.714 -8.882 3.115 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 14.637 -7.072 3.279 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 14.150 -7.111 2.423 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 14.616 -6.138 3.518 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 0.624 -12.452 7.097 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 0.430 -12.271 8.041 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 1.071 -11.645 6.786 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 19.507 -9.790 7.862 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 19.065 -10.571 8.254 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 18.798 -9.105 7.832 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 17.381 -8.134 7.714 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 16.772 -7.959 8.454 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 16.796 -8.217 6.936 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 2.045 -13.315 -1.193 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 1.106 -13.268 -1.448 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 2.119 -12.683 -0.443 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 9.495 -12.697 1.060 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 9.452 -12.955 0.111 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 10.445 -12.531 1.216 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 13.327 -7.247 0.844 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 12.447 -6.910 0.547 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 13.828 -7.367 0.008 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 10.879 -6.813 -0.248 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 10.247 -6.226 -0.672 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 10.387 -7.658 -0.139 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 1.367 -11.726 -4.453 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 2.205 -12.149 -4.167 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 1.654 -10.973 -4.984 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 6.240 -13.781 -4.011 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 5.295 -13.555 -3.866 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 6.646 -12.944 -4.259 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 13.567 -12.449 -1.290 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 13.065 -12.482 -0.447 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 13.977 -11.556 -1.288 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.102 -12.325 7.981 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 13.271 -12.803 7.912 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.006 -11.584 7.345 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 0.617 -3.816 17.462 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 1.236 -3.669 18.215 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 -0.271 -3.762 17.870 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 -2.258 -5.624 15.458 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 -2.251 -6.120 16.307 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 -1.313 -5.540 15.232 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 5.611 -5.913 15.909 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 6.267 -6.597 15.713 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 5.714 -5.750 16.872 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 3.425 -8.953 17.548 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 2.475 -9.209 17.637 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 3.427 -8.321 16.797 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 -3.000 -2.348 15.770 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 -3.271 -2.095 14.868 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 -2.018 -2.292 15.745 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 5.833 -10.114 18.148 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 4.933 -9.796 17.907 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 5.675 -10.995 18.556 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 0.602 -5.762 15.560 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 0.692 -5.143 16.321 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 1.363 -6.371 15.659 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 4.344 -4.064 14.308 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 4.880 -4.742 14.770 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 4.354 -3.311 14.904 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 15.859 -11.684 9.944 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 15.174 -11.913 9.271 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 16.703 -11.697 9.438 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 2.644 -5.205 12.544 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 3.010 -6.096 12.721 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 3.191 -4.610 13.110 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 1.191 -11.765 18.655 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 1.426 -12.207 17.812 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 1.015 -10.824 18.389 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 2.007 -3.448 19.770 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 1.733 -4.196 20.347 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 2.396 -2.813 20.375 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 3.126 -7.103 15.547 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 3.896 -6.522 15.709 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 3.261 -7.425 14.628 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 1.124 -5.509 21.305 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 1.293 -5.979 22.129 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 1.015 -6.226 20.637 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 6.903 -12.624 6.404 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 6.959 -12.876 7.350 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 6.298 -11.862 6.390 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 10.004 -7.857 17.134 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 9.102 -7.815 17.533 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 10.544 -7.313 17.713 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 3.857 -7.691 12.982 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 4.823 -7.864 13.099 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 3.676 -7.963 12.059 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 2.995 -8.023 10.370 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 2.353 -7.281 10.341 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 3.310 -8.096 9.460 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 7.435 -7.783 18.000 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 6.840 -8.547 18.146 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 6.920 -7.015 18.318 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 5.805 -5.665 18.659 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 5.947 -4.937 19.273 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 4.980 -6.103 18.991 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 -0.343 -2.516 15.209 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 -0.111 -3.082 14.456 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 0.186 -2.876 15.952 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 -0.853 -7.506 10.154 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 -0.152 -6.829 10.261 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 -1.687 -7.021 10.337 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 0.968 -7.710 19.752 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 0.111 -7.877 20.210 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 0.895 -8.237 18.917 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 1.346 -5.775 10.272 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 1.821 -5.492 11.091 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 1.308 -4.976 9.735 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 8.316 -8.968 15.115 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 8.950 -8.429 15.628 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 8.160 -9.752 15.684 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 10.767 -10.449 16.267 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 9.930 -10.792 16.634 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 10.794 -9.524 16.567 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 4.122 -12.074 11.541 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 4.050 -12.254 12.485 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 5.041 -12.272 11.331 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 0.778 -9.042 8.553 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 0.111 -8.461 8.977 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 1.093 -9.609 9.280 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 3.669 -7.067 19.501 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 2.722 -7.037 19.730 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 3.730 -7.796 18.852 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 3.265 -11.239 20.359 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 3.287 -10.273 20.381 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 2.498 -11.448 19.779 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 -2.089 -3.913 18.100 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 -2.093 -4.892 17.999 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 -2.484 -3.583 17.272 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 13.739 -8.365 8.367 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 14.497 -8.236 8.976 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 13.311 -7.506 8.342 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 -2.138 -6.662 17.911 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 -1.570 -7.374 17.512 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 -2.699 -7.137 18.553 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 15.868 -7.722 10.011 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 16.319 -6.969 10.414 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 15.966 -8.443 10.672 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 -2.714 -10.060 18.040 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 -3.191 -9.371 18.539 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 -2.113 -9.551 17.441 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 8.149 -10.989 17.012 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 7.419 -10.515 17.471 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 8.002 -11.914 17.234 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 2.047 -10.572 10.586 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 2.757 -11.185 10.888 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 2.432 -9.681 10.717 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 6.544 -7.995 13.293 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 7.103 -8.433 13.973 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 7.159 -7.437 12.809 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 17.556 -51.125 -12.627 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 17.669 -51.573 -13.496 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 16.601 -51.247 -12.423 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 17.164 -52.409 -14.989 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 16.408 -52.988 -14.747 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 16.916 -52.040 -15.841 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 20.741 -58.374 0.438 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 20.492 -58.655 1.347 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 21.323 -57.599 0.584 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 19.079 -61.212 -3.606 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 19.127 -62.097 -3.190 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 19.242 -60.594 -2.869 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 16.811 -59.844 -4.158 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 17.681 -60.309 -4.194 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 16.593 -59.828 -3.198 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 18.950 -63.499 -2.080 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 19.134 -64.435 -1.972 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 18.353 -63.287 -1.353 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 24.430 -54.848 0.044 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 24.754 -54.189 0.687 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 24.231 -54.324 -0.758 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 25.347 -53.138 2.087 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 26.121 -53.502 2.528 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 24.643 -53.169 2.777 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 15.539 -52.317 -6.930 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 15.711 -51.597 -7.585 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 15.866 -53.110 -7.368 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 20.208 -56.719 -2.291 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 20.710 -57.080 -1.543 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 20.597 -55.827 -2.434 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 23.451 -53.290 -2.043 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 23.342 -52.327 -1.888 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 22.543 -53.618 -2.161 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 22.178 -56.052 1.000 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 23.083 -55.894 0.649 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 21.816 -55.143 1.128 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 22.044 -53.459 9.401 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 22.225 -54.242 8.862 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 22.013 -53.803 10.319 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 20.167 -58.718 3.131 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 19.294 -58.672 3.562 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 20.801 -58.527 3.847 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 19.004 -50.849 5.079 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 19.394 -51.274 4.282 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 18.442 -50.132 4.713 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 21.014 -63.488 7.408 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 21.927 -63.674 7.634 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 20.620 -64.353 7.274 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 17.948 -54.855 10.029 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 17.031 -54.899 10.358 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 18.277 -53.997 10.345 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 18.714 -56.233 -4.516 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 19.401 -55.877 -5.092 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 19.208 -56.557 -3.729 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 18.967 -56.264 5.004 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 19.557 -56.661 5.686 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 18.455 -57.028 4.659 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 20.912 -54.127 -3.126 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 21.391 -53.699 -3.866 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 20.152 -53.528 -2.958 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 25.967 -50.680 0.945 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 25.858 -51.604 1.244 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 25.362 -50.171 1.527 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 22.489 -52.450 -4.689 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 22.404 -51.477 -4.622 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 23.233 -52.665 -4.104 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 23.289 -50.899 -7.023 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 23.101 -51.787 -6.685 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 23.149 -50.317 -6.249 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 22.249 -55.813 3.826 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 22.209 -56.697 4.251 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 22.209 -56.008 2.868 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 20.204 -57.339 7.144 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 20.715 -58.137 7.327 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 19.454 -57.381 7.775 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 19.047 -59.238 -1.582 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 19.237 -58.414 -2.064 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 19.603 -59.172 -0.775 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 21.445 -53.485 1.445 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 21.955 -52.705 1.151 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 20.666 -53.097 1.901 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 25.838 -49.868 -1.633 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 25.908 -50.143 -0.686 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 26.747 -49.838 -1.936 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 18.439 -51.311 -9.992 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 18.360 -51.421 -10.959 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 19.160 -50.655 -9.883 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 22.870 -49.810 -9.491 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 22.968 -50.248 -8.610 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 23.746 -49.452 -9.673 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 17.035 -52.669 15.763 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 17.811 -52.266 15.326 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 17.041 -52.277 16.664 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 22.366 -58.308 4.945 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 23.066 -58.909 4.671 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 22.556 -58.135 5.897 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 23.094 -58.031 7.606 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 22.691 -57.339 8.179 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 23.849 -58.343 8.112 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 21.951 -56.325 9.430 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 21.993 -55.921 10.318 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 21.010 -56.304 9.202 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 18.233 -59.912 8.105 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 18.575 -60.452 8.822 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 18.148 -59.021 8.494 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 19.757 -53.326 12.998 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 19.580 -52.606 13.640 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 19.499 -52.944 12.133 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 23.673 -53.481 4.221 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 22.891 -53.043 4.590 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 23.384 -54.407 4.095 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 17.416 -52.193 20.720 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 17.374 -51.925 19.775 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 18.344 -52.392 20.869 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 16.882 -51.412 18.172 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 16.961 -50.511 17.771 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 15.919 -51.526 18.317 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 18.906 -52.246 10.665 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 18.375 -51.478 10.932 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 19.603 -51.864 10.077 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 21.844 -54.707 11.803 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 22.469 -54.851 12.521 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 21.059 -54.305 12.244 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 16.802 -40.675 -11.988 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 16.099 -40.928 -12.628 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 17.387 -41.446 -11.963 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 16.592 -45.588 -12.297 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 16.906 -44.761 -11.874 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 15.719 -45.759 -11.871 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 16.161 -38.123 -8.746 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 16.283 -37.286 -8.244 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 15.194 -38.192 -8.851 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 17.680 -44.345 -8.375 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 17.880 -44.280 -7.431 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 17.617 -45.304 -8.542 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 17.299 -46.902 -9.480 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 17.655 -47.331 -10.285 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 16.394 -46.657 -9.727 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 13.635 -43.946 -12.740 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 13.849 -44.683 -12.119 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 12.958 -43.427 -12.264 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 17.179 -47.347 -14.237 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 16.996 -46.688 -13.526 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 17.746 -47.999 -13.809 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 18.086 -48.656 -11.603 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 18.926 -48.762 -11.105 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 17.951 -49.531 -12.031 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 22.928 -50.698 -12.158 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 22.785 -50.456 -11.227 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 22.098 -51.088 -12.432 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 19.584 -39.132 0.777 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 19.146 -39.226 -0.092 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 19.583 -40.040 1.141 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 21.333 -35.809 -1.771 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 21.607 -36.625 -1.305 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 20.544 -36.083 -2.279 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 21.330 -39.721 -3.085 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 21.008 -39.380 -3.948 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 21.718 -40.593 -3.302 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 23.273 -34.661 -0.072 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 23.058 -35.320 0.624 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 22.648 -34.874 -0.800 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 22.305 -36.572 1.693 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 21.636 -36.820 2.370 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 22.198 -37.250 0.993 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 14.827 -38.057 -3.434 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 15.039 -37.276 -2.893 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 14.258 -38.610 -2.837 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 22.220 -50.928 0.732 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 21.478 -50.277 0.748 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 22.572 -50.866 -0.178 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 18.944 -39.734 -1.779 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 18.589 -40.644 -1.847 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 19.809 -39.781 -2.245 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 19.266 -37.269 -3.017 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 18.969 -38.023 -2.468 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 19.522 -37.681 -3.867 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 21.788 -38.202 -0.532 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 21.038 -38.580 -0.020 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 21.830 -38.754 -1.337 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 23.782 -34.841 3.214 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 23.095 -34.503 3.818 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 23.331 -35.557 2.718 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 20.831 -41.950 3.598 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 21.710 -42.251 3.335 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 20.336 -41.888 2.747 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 21.283 -34.340 4.387 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 20.430 -33.870 4.373 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 21.045 -35.278 4.229 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 17.902 -41.860 -5.849 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 18.084 -41.259 -6.596 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 17.411 -41.297 -5.207 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 18.212 -42.385 -1.741 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 18.027 -43.318 -1.962 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 17.331 -42.014 -1.511 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 22.185 -42.339 -3.685 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 22.260 -43.319 -3.567 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 22.520 -42.187 -4.574 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 17.514 -43.653 1.388 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 17.049 -44.525 1.344 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 16.986 -43.137 2.027 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 22.385 -43.829 0.499 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 21.574 -44.279 0.829 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 22.045 -43.168 -0.137 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 22.604 -45.034 -3.553 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 22.940 -45.394 -2.708 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 22.270 -45.817 -4.032 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 21.475 -47.175 -5.040 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 21.594 -47.039 -5.990 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 20.503 -47.201 -4.923 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 20.549 -37.027 3.818 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 20.606 -37.932 4.200 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 19.592 -36.820 3.843 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 20.904 -42.310 -1.228 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 19.969 -42.382 -1.519 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 21.410 -42.247 -2.065 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 16.059 -40.674 -1.414 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 16.462 -39.831 -1.168 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 15.091 -40.459 -1.499 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 20.027 -36.227 -6.456 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 20.751 -35.804 -6.961 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 19.318 -35.557 -6.444 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 19.147 -44.135 -4.980 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 18.815 -43.273 -5.318 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 18.737 -44.217 -4.099 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 20.003 -38.696 -5.356 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 20.093 -37.814 -5.791 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 19.392 -39.183 -5.938 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 25.974 -34.047 -0.357 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 25.055 -34.317 -0.537 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 26.218 -34.552 0.439 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 22.313 -35.198 -7.698 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 23.028 -34.966 -7.095 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 22.748 -35.332 -8.546 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 18.245 -39.752 -7.667 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 17.469 -39.189 -7.867 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 18.663 -39.887 -8.524 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 17.140 -35.580 -3.519 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 16.546 -35.663 -2.741 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 17.895 -36.168 -3.305 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 22.667 -49.666 -4.616 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 22.243 -48.792 -4.760 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 22.964 -49.631 -3.691 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 17.879 -34.485 -5.853 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 17.529 -34.949 -5.051 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 18.203 -33.634 -5.507 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 18.787 -46.755 -5.339 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 19.143 -45.842 -5.201 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 17.833 -46.610 -5.479 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 22.665 -32.226 5.470 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 22.566 -32.202 6.448 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 22.149 -33.010 5.196 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 17.995 -46.972 6.272 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 18.112 -46.328 5.542 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 17.876 -46.408 7.066 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 19.605 -41.833 1.173 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 20.127 -42.058 0.372 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 18.850 -42.460 1.149 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 19.989 -44.893 1.119 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 19.846 -45.759 1.544 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 19.106 -44.472 1.127 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 23.259 -45.923 -1.001 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 24.003 -46.268 -0.492 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 22.956 -45.142 -0.480 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 18.114 -45.215 4.177 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 18.747 -45.640 3.575 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 17.285 -45.183 3.663 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 23.913 -49.790 2.536 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 23.290 -50.177 1.883 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 23.579 -50.088 3.384 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 17.591 -48.677 4.112 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 16.849 -48.325 3.598 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 17.571 -48.160 4.945 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 20.335 -48.975 0.614 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 20.150 -48.661 -0.286 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 20.025 -48.250 1.193 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 19.177 -47.174 2.365 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 18.986 -47.866 3.029 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 18.277 -46.863 2.079 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 23.973 -32.210 1.103 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 24.941 -32.273 1.227 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 23.725 -33.077 0.718 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 26.558 -29.727 3.113 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 26.996 -30.451 2.638 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 25.732 -30.130 3.451 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 20.203 -49.217 -9.875 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 21.167 -49.388 -9.808 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 20.009 -48.642 -9.095 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 23.260 -50.578 -1.832 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 22.816 -49.695 -1.810 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 24.225 -50.361 -1.819 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 19.259 -32.726 -4.210 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 19.908 -33.424 -4.368 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 19.394 -32.483 -3.266 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 19.427 -47.605 -7.854 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 18.627 -47.331 -8.345 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 19.222 -47.391 -6.924 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 22.098 -48.206 -1.987 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 22.444 -47.364 -1.620 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 21.164 -48.016 -2.183 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 20.863 -53.589 4.708 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 20.526 -53.179 3.881 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 21.249 -54.444 4.411 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 16.133 -30.810 -10.122 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 16.575 -29.945 -10.105 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 16.052 -31.052 -9.178 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 20.007 -36.775 22.792 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 19.579 -36.116 23.343 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 20.127 -37.549 23.390 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 18.843 -35.884 18.350 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 19.377 -35.091 18.477 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 19.220 -36.532 19.001 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 20.051 -42.030 17.803 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 19.599 -42.807 17.446 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 19.547 -41.283 17.454 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 19.597 -40.090 19.877 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 18.874 -39.956 19.225 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 20.125 -40.813 19.494 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 19.491 -37.298 14.545 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 18.871 -37.544 15.258 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 19.244 -37.895 13.799 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 17.469 -37.177 16.378 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 16.895 -37.842 16.799 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 17.926 -36.741 17.136 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.509 -30.133 16.332 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 17.180 -30.961 16.744 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 18.456 -30.308 16.179 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 22.142 -31.138 12.312 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 22.318 -31.940 11.806 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 21.155 -31.099 12.366 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 18.060 -43.417 15.834 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 18.084 -44.002 15.041 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 18.246 -42.533 15.480 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 15.256 -47.705 14.216 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 14.814 -46.979 13.771 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 15.075 -47.550 15.169 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 18.702 -44.838 10.649 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 18.137 -44.989 9.867 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 19.339 -44.169 10.353 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 18.194 -44.905 13.486 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 18.241 -45.870 13.383 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 18.270 -44.567 12.577 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 19.561 -43.358 5.617 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 20.053 -42.860 4.931 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 19.007 -43.985 5.105 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 20.092 -37.379 20.153 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 20.055 -38.357 20.161 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 20.133 -37.132 21.107 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 20.188 -38.929 24.436 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 20.740 -39.518 24.953 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 19.738 -39.526 23.792 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 22.525 -33.374 16.120 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 23.275 -33.598 16.679 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 22.030 -34.216 16.033 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 18.993 -40.573 15.260 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 19.942 -40.532 15.100 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 18.594 -40.195 14.430 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 19.249 -33.618 13.521 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 19.323 -34.218 12.747 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 19.350 -32.714 13.132 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 19.315 -33.601 16.247 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 19.899 -34.379 16.367 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 19.281 -33.480 15.269 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 22.336 -31.896 8.180 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 23.027 -31.357 8.577 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 21.530 -31.669 8.694 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 19.549 -40.006 7.758 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 18.672 -39.648 7.944 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 20.154 -39.384 8.182 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 18.565 -35.334 11.545 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 18.437 -35.158 10.606 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 18.163 -36.236 11.680 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 17.647 -44.927 8.065 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 18.347 -44.235 8.106 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 16.907 -44.489 7.630 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 20.355 -39.543 5.046 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 20.166 -39.887 5.936 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 20.529 -40.343 4.512 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 19.438 -42.895 8.273 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 19.631 -43.035 7.315 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 19.527 -41.934 8.393 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 20.381 -30.880 9.820 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 19.962 -31.151 10.664 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 20.367 -29.912 9.852 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 15.049 -47.149 16.915 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 14.308 -47.141 17.558 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 15.461 -46.261 17.016 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 16.066 -44.638 17.400 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 16.805 -44.223 16.901 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 15.364 -43.944 17.407 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 18.453 -47.291 11.965 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 18.651 -46.459 11.481 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 18.318 -47.943 11.266 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 20.071 -31.012 17.090 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 20.816 -30.842 16.478 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 19.899 -31.968 16.992 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 20.290 -28.688 14.666 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 20.947 -29.412 14.773 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 19.816 -28.920 13.831 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 21.059 -35.741 16.168 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 21.181 -36.438 16.825 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 20.633 -36.203 15.406 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 20.735 -51.174 8.953 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 21.085 -50.775 8.149 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 21.325 -51.951 9.115 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 18.175 -49.471 7.343 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 18.631 -49.998 6.658 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 18.192 -48.555 6.993 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 19.432 -21.140 0.582 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 19.339 -22.083 0.359 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 19.086 -20.679 -0.199 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 22.046 -17.750 -0.194 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 22.318 -16.936 0.238 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 21.102 -17.593 -0.427 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 19.999 -24.593 -2.706 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 20.326 -25.515 -2.662 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 20.802 -24.046 -2.548 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 21.996 -22.840 -2.267 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 22.905 -22.827 -2.590 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 21.668 -21.945 -2.436 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 19.688 -29.588 -2.922 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 18.895 -29.799 -3.455 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 19.854 -30.408 -2.413 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 22.400 -26.635 -0.497 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 21.728 -26.744 0.198 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 21.931 -26.870 -1.323 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 23.191 -28.734 2.354 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 23.933 -28.335 1.861 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 23.583 -29.529 2.777 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 19.609 -19.977 3.010 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 19.457 -20.366 2.118 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 20.587 -19.846 3.045 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 25.178 -29.722 0.311 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 24.531 -30.434 0.454 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 26.017 -30.104 0.605 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 22.240 -22.955 0.537 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 22.569 -22.037 0.596 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 22.046 -23.076 -0.409 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 17.201 -18.651 2.468 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 17.037 -18.213 3.326 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 18.039 -19.131 2.606 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 20.155 -23.269 2.626 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 20.897 -23.583 2.076 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 20.153 -22.309 2.490 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 20.791 -17.076 6.225 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 20.786 -17.733 5.512 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 20.858 -16.210 5.756 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 16.309 -13.021 -1.282 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 16.623 -12.300 -0.727 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 15.345 -12.875 -1.341 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 19.541 -19.629 5.743 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 20.334 -20.111 6.060 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 19.476 -19.872 4.793 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 23.373 -24.834 2.215 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 23.032 -24.281 1.480 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 23.913 -25.509 1.776 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 17.710 -26.440 -7.444 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 17.621 -25.620 -6.924 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 18.040 -27.101 -6.798 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 21.050 -27.219 -2.875 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.543 -28.064 -2.904 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 21.448 -27.155 -3.750 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 19.293 -28.828 -0.310 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 19.464 -28.701 -1.257 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 18.629 -29.548 -0.286 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 18.596 -18.918 10.234 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 18.708 -19.674 10.837 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 19.501 -18.591 10.088 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 17.539 -30.636 -4.328 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 18.089 -31.451 -4.382 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 16.662 -30.959 -4.074 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 24.801 -27.027 0.743 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 24.028 -26.805 0.176 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 25.118 -27.886 0.388 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 23.170 -20.225 0.142 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 22.709 -19.379 -0.077 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 24.098 -19.980 0.199 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 25.514 -20.716 8.779 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 26.390 -20.518 9.125 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 25.633 -21.565 8.302 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 15.184 -10.171 -1.097 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 15.762 -9.914 -0.346 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 14.753 -9.329 -1.361 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 25.803 -25.732 7.459 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 25.109 -26.200 7.988 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 26.513 -26.380 7.380 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 15.579 -27.980 -4.087 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 15.133 -28.752 -4.485 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 16.515 -28.187 -4.155 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 20.741 -17.915 8.784 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 20.871 -17.544 7.880 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 21.578 -18.373 8.973 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 20.714 -24.813 4.884 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 20.490 -24.141 4.206 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 21.280 -24.335 5.517 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 23.661 -22.289 3.375 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 23.836 -22.357 4.335 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 23.647 -23.218 3.067 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 24.197 -26.182 5.234 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 24.844 -26.421 4.526 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 24.757 -25.885 5.973 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 25.952 -27.050 3.336 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 25.784 -26.849 2.397 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 26.319 -27.961 3.323 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 26.234 -23.014 7.351 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 26.980 -23.051 6.741 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 26.032 -23.961 7.540 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 26.746 -32.099 1.441 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 26.770 -32.874 2.039 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 26.839 -32.489 0.549 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 23.923 -27.211 8.708 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 23.891 -27.884 9.420 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 22.985 -27.081 8.463 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 26.329 -34.693 2.371 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 25.389 -34.691 2.686 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 26.764 -35.336 2.938 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 24.134 -30.955 3.583 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 23.935 -31.545 2.828 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 23.675 -31.381 4.348 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 19.402 -17.035 -0.423 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 18.701 -16.445 -0.778 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 18.958 -17.529 0.276 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 17.506 -23.611 1.851 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 17.745 -23.597 0.898 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 18.366 -23.503 2.309 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 20.780 -27.751 1.625 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 20.143 -28.127 0.968 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.565 -28.333 1.557 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 18.409 -22.779 -4.115 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 18.996 -23.471 -3.748 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 18.026 -23.192 -4.916 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.296 -19.985 2.824 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 22.503 -19.974 1.874 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 22.815 -20.747 3.170 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 19.373 -8.511 1.733 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 19.997 -8.301 1.031 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 19.930 -8.526 2.552 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 17.086 -15.616 -0.998 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 16.205 -15.952 -0.786 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 16.945 -14.656 -1.154 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 17.091 -10.161 -3.159 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 16.411 -10.331 -2.480 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 17.411 -11.038 -3.399 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 16.294 -28.289 -8.815 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 16.862 -27.626 -8.351 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 15.650 -27.752 -9.290 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 18.247 -28.808 -6.196 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 18.019 -29.456 -5.497 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 18.169 -29.308 -7.015 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 15.235 -25.409 14.908 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 15.850 -26.151 15.077 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 15.087 -25.021 15.794 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 20.566 -23.098 14.994 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 20.903 -22.986 14.075 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 21.382 -23.273 15.528 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 15.337 -23.281 19.768 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 14.677 -23.202 20.485 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 16.179 -23.474 20.234 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 20.096 -20.372 15.229 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 19.693 -20.194 16.084 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 20.214 -21.342 15.216 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 20.306 -27.478 17.098 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 19.754 -27.928 17.759 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 20.212 -28.028 16.292 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 13.783 -17.271 12.160 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 14.082 -16.397 12.496 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 13.174 -17.598 12.862 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 21.987 -19.484 13.467 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 21.218 -19.766 14.015 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 22.549 -19.004 14.082 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 20.434 -21.657 9.084 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 20.727 -21.339 8.203 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 21.073 -21.251 9.709 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 21.287 -22.846 12.351 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 21.742 -22.077 11.942 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 21.663 -23.611 11.898 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 21.248 -26.787 8.204 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 20.716 -25.972 8.325 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 20.864 -27.418 8.842 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 22.705 -26.466 16.377 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 23.221 -27.263 16.216 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 21.863 -26.798 16.764 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 22.380 -24.360 7.107 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 22.574 -25.311 7.057 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 21.655 -24.298 7.757 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 20.095 -24.355 8.775 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 19.111 -24.430 8.728 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 20.248 -23.399 8.943 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 20.471 -28.021 10.562 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 20.497 -27.119 10.904 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 19.834 -28.488 11.168 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 17.419 -24.070 8.792 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 16.971 -23.288 9.162 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 16.820 -24.366 8.067 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 18.961 -21.504 11.414 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 19.692 -21.935 11.899 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 19.217 -21.592 10.472 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 23.076 -29.012 10.631 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 23.060 -29.750 11.266 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 22.165 -28.668 10.648 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 21.868 -20.649 6.917 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 22.384 -20.030 7.461 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 22.550 -21.204 6.475 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 16.491 -27.620 15.952 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 16.925 -28.497 15.885 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 15.784 -27.758 16.593 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 23.870 -22.362 6.118 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 24.758 -22.487 6.507 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 23.352 -23.131 6.454 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 22.079 -20.541 10.964 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 22.073 -20.077 11.839 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 22.619 -19.965 10.393 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 23.336 -19.100 8.870 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 24.074 -19.761 8.833 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 23.781 -18.248 8.762 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 15.379 -17.549 9.903 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 14.874 -17.456 10.737 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 16.095 -16.878 9.983 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 18.548 -29.052 18.614 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 19.258 -29.723 18.596 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 17.978 -29.294 17.854 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 12.686 -23.315 16.681 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 13.141 -22.468 16.596 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 13.391 -23.937 16.967 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 17.470 -26.545 19.269 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 17.901 -27.414 19.118 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 17.244 -26.235 18.380 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 21.915 -30.914 15.042 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 22.202 -31.782 15.410 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 22.178 -30.959 14.096 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 17.765 -11.420 13.083 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.448 -10.981 13.596 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 17.257 -10.688 12.680 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 22.862 -23.780 16.214 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 23.680 -23.535 16.654 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 22.857 -24.767 16.246 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 18.198 -12.094 8.591 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 18.622 -12.798 9.127 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 18.106 -12.492 7.706 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 21.056 -14.665 4.971 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 21.801 -14.559 4.372 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 20.943 -13.774 5.374 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 18.960 -12.142 3.467 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 19.584 -12.691 2.981 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 18.607 -12.732 4.152 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 16.697 -7.449 -3.094 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 17.256 -6.984 -3.724 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 16.944 -8.396 -3.205 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 21.727 -9.622 6.393 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 22.329 -8.995 6.810 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 20.906 -9.578 6.949 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 20.529 -8.731 4.135 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.157 -9.039 4.820 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 19.664 -8.791 4.566 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 14.428 -7.579 -1.650 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 13.741 -7.180 -2.198 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 15.264 -7.415 -2.154 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 20.796 -12.144 5.898 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 21.256 -11.275 5.867 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 19.856 -11.913 5.868 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 21.519 -12.902 8.462 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 21.352 -12.718 7.516 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.974 -12.115 8.778 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 19.552 -14.113 9.880 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 20.307 -13.769 9.342 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 19.945 -14.306 10.739 1.00 0.00 WAT1 END