REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1353.44, 62.4504, 75.7412, 33.3379, 400.409, -361.008, -1566.57, 2.06611, 0.137556 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.71495E-03,0.44582,1.12605,42.44,4.124568E-03,0.152567 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 10 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:31 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.030 -3.358 -12.879 1.00 41.32 ATOM 2 CB MET 1 1.440 -2.161 -11.145 1.00 44.35 ATOM 3 HB1 MET 1 1.425 -2.988 -10.449 1.00 35.64 ATOM 4 HB2 MET 1 1.012 -1.293 -10.663 1.00 13.33 ATOM 5 CG MET 1 2.893 -1.847 -11.474 1.00 61.55 ATOM 6 HG1 MET 1 2.923 -1.007 -12.154 1.00 35.64 ATOM 7 HG2 MET 1 3.340 -2.709 -11.945 1.00 13.42 ATOM 8 SD MET 1 3.850 -1.438 -10.001 1.00 61.14 ATOM 9 CE MET 1 5.482 -1.221 -10.697 1.00 51.32 ATOM 10 HE1 MET 1 5.454 -0.449 -11.450 1.00 24.41 ATOM 11 HE2 MET 1 5.805 -2.149 -11.145 1.00 24.15 ATOM 12 HE3 MET 1 6.172 -0.938 -9.916 1.00 53.21 ATOM 13 C MET 1 -0.817 -2.950 -11.872 1.00 32.50 ATOM 14 O MET 1 -1.666 -2.106 -11.578 1.00 72.22 ATOM 15 N MET 1 0.497 -1.378 -13.308 1.00 74.31 ATOM 16 HT1 MET 1 0.049 -0.559 -12.847 1.00 35.64 ATOM 17 HT2 MET 1 -0.064 -1.638 -14.144 1.00 35.64 ATOM 18 HT3 MET 1 1.450 -1.105 -13.622 1.00 35.64 ATOM 19 CA MET 1 0.575 -2.526 -12.361 1.00 71.52 ATOM 20 N GLY 2 -1.048 -4.259 -11.786 1.00 20.20 ATOM 21 HN GLY 2 -0.372 -4.891 -12.117 1.00 35.64 ATOM 22 CA GLY 2 -2.291 -4.769 -11.211 1.00 25.22 ATOM 23 HA1 GLY 2 -2.453 -5.775 -11.568 1.00 35.64 ATOM 24 HA2 GLY 2 -3.113 -4.145 -11.537 1.00 5.33 ATOM 25 C GLY 2 -2.249 -4.786 -9.685 1.00 24.13 ATOM 26 O GLY 2 -1.493 -5.553 -9.088 1.00 23.03 ATOM 27 N HIS 3 -3.063 -3.949 -9.048 1.00 11.41 ATOM 28 HN HIS 3 -3.729 -3.447 -9.566 1.00 35.64 ATOM 29 CA HIS 3 -3.001 -3.778 -7.591 1.00 10.21 ATOM 30 HA HIS 3 -1.962 -3.884 -7.306 1.00 34.30 ATOM 31 CB HIS 3 -3.457 -2.362 -7.194 1.00 63.34 ATOM 32 HB1 HIS 3 -2.707 -1.654 -7.517 1.00 35.64 ATOM 33 HB2 HIS 3 -3.547 -2.308 -6.119 1.00 63.44 ATOM 34 CG HIS 3 -4.772 -1.936 -7.786 1.00 35.31 ATOM 35 ND1 HIS 3 -4.870 -1.226 -8.964 1.00 2.32 ATOM 36 HD1 HIS 3 -4.119 -0.937 -9.524 1.00 12.30 ATOM 37 CD2 HIS 3 -6.045 -2.107 -7.353 1.00 14.45 ATOM 38 HD2 HIS 3 -6.353 -2.622 -6.453 1.00 34.32 ATOM 39 CE1 HIS 3 -6.137 -0.981 -9.228 1.00 53.03 ATOM 40 HE1 HIS 3 -6.511 -0.442 -10.087 1.00 71.45 ATOM 41 NE2 HIS 3 -6.869 -1.504 -8.269 1.00 33.13 ATOM 42 HE2 HIS 3 -7.843 -1.605 -8.304 1.00 35.64 ATOM 43 C HIS 3 -3.806 -4.849 -6.832 1.00 44.14 ATOM 44 O HIS 3 -5.028 -4.763 -6.709 1.00 4.45 ATOM 45 N HIS 4 -3.108 -5.865 -6.334 1.00 51.50 ATOM 46 HN HIS 4 -2.147 -5.924 -6.538 1.00 35.64 ATOM 47 CA HIS 4 -3.720 -6.899 -5.490 1.00 74.43 ATOM 48 HA HIS 4 -4.794 -6.780 -5.536 1.00 24.31 ATOM 49 CB HIS 4 -3.350 -8.299 -6.000 1.00 54.43 ATOM 50 HB1 HIS 4 -3.722 -9.038 -5.302 1.00 35.64 ATOM 51 HB2 HIS 4 -2.273 -8.380 -6.055 1.00 12.23 ATOM 52 CG HIS 4 -3.901 -8.628 -7.355 1.00 12.22 ATOM 53 ND1 HIS 4 -5.003 -9.435 -7.541 1.00 41.31 ATOM 54 HD1 HIS 4 -5.538 -9.850 -6.830 1.00 3.01 ATOM 55 CD2 HIS 4 -3.484 -8.276 -8.596 1.00 74.20 ATOM 56 HD2 HIS 4 -2.640 -7.642 -8.836 1.00 52.32 ATOM 57 CE1 HIS 4 -5.238 -9.569 -8.829 1.00 73.34 ATOM 58 HE1 HIS 4 -6.035 -10.150 -9.270 1.00 11.30 ATOM 59 NE2 HIS 4 -4.335 -8.877 -9.492 1.00 22.31 ATOM 60 HE2 HIS 4 -4.361 -8.702 -10.460 1.00 35.64 ATOM 61 C HIS 4 -3.261 -6.749 -4.031 1.00 24.35 ATOM 62 O HIS 4 -2.097 -6.990 -3.713 1.00 62.32 ATOM 63 N HIS 5 -4.173 -6.353 -3.144 1.00 42.43 ATOM 64 HN HIS 5 -5.090 -6.182 -3.443 1.00 35.64 ATOM 65 CA HIS 5 -3.834 -6.180 -1.726 1.00 24.51 ATOM 66 HA HIS 5 -2.783 -5.926 -1.673 1.00 52.23 ATOM 67 CB HIS 5 -4.639 -5.025 -1.119 1.00 11.02 ATOM 68 HB1 HIS 5 -4.497 -5.017 -0.047 1.00 35.64 ATOM 69 HB2 HIS 5 -5.688 -5.168 -1.339 1.00 61.31 ATOM 70 CG HIS 5 -4.230 -3.682 -1.647 1.00 15.43 ATOM 71 ND1 HIS 5 -5.118 -2.778 -2.189 1.00 64.13 ATOM 72 HD1 HIS 5 -6.085 -2.914 -2.292 1.00 73.35 ATOM 73 CD2 HIS 5 -3.015 -3.084 -1.700 1.00 53.13 ATOM 74 HD2 HIS 5 -2.077 -3.505 -1.364 1.00 20.23 ATOM 75 CE1 HIS 5 -4.471 -1.690 -2.552 1.00 31.22 ATOM 76 HE1 HIS 5 -4.911 -0.816 -3.008 1.00 20.35 ATOM 77 NE2 HIS 5 -3.198 -1.848 -2.267 1.00 34.05 ATOM 78 HE2 HIS 5 -2.479 -1.248 -2.560 1.00 35.64 ATOM 79 C HIS 5 -4.052 -7.475 -0.929 1.00 21.15 ATOM 80 O HIS 5 -5.092 -8.130 -1.040 1.00 21.24 ATOM 81 N HIS 6 -3.061 -7.826 -0.119 1.00 54.10 ATOM 82 HN HIS 6 -2.299 -7.217 -0.019 1.00 35.64 ATOM 83 CA HIS 6 -3.067 -9.079 0.635 1.00 30.43 ATOM 84 HA HIS 6 -3.387 -9.863 -0.037 1.00 71.55 ATOM 85 CB HIS 6 -1.648 -9.393 1.110 1.00 34.24 ATOM 86 HB1 HIS 6 -1.646 -10.344 1.625 1.00 35.64 ATOM 87 HB2 HIS 6 -1.321 -8.620 1.791 1.00 55.13 ATOM 88 CG HIS 6 -0.656 -9.471 -0.014 1.00 21.25 ATOM 89 ND1 HIS 6 0.242 -8.464 -0.301 1.00 41.01 ATOM 90 HD1 HIS 6 0.324 -7.613 0.183 1.00 73.34 ATOM 91 CD2 HIS 6 -0.428 -10.442 -0.932 1.00 33.10 ATOM 92 HD2 HIS 6 -0.948 -11.387 -1.010 1.00 74.12 ATOM 93 CE1 HIS 6 0.973 -8.810 -1.343 1.00 45.30 ATOM 94 HE1 HIS 6 1.757 -8.217 -1.790 1.00 55.02 ATOM 95 NE2 HIS 6 0.588 -10.003 -1.743 1.00 73.12 ATOM 96 HE2 HIS 6 1.035 -10.540 -2.433 1.00 35.64 ATOM 97 C HIS 6 -4.038 -9.031 1.826 1.00 4.32 ATOM 98 O HIS 6 -4.340 -7.959 2.353 1.00 73.32 ATOM 99 N HIS 7 -4.527 -10.208 2.229 1.00 14.13 ATOM 100 HN HIS 7 -4.207 -11.022 1.783 1.00 35.64 ATOM 101 CA HIS 7 -5.528 -10.342 3.305 1.00 41.32 ATOM 102 HA HIS 7 -5.675 -11.402 3.462 1.00 14.51 ATOM 103 CB HIS 7 -5.022 -9.727 4.622 1.00 22.32 ATOM 104 HB1 HIS 7 -5.850 -9.640 5.312 1.00 35.64 ATOM 105 HB2 HIS 7 -4.625 -8.741 4.424 1.00 62.02 ATOM 106 CG HIS 7 -3.947 -10.530 5.293 1.00 53.32 ATOM 107 ND1 HIS 7 -2.664 -10.067 5.490 1.00 60.14 ATOM 108 HD1 HIS 7 -2.323 -9.186 5.219 1.00 24.12 ATOM 109 CD2 HIS 7 -3.979 -11.773 5.837 1.00 61.24 ATOM 110 HD2 HIS 7 -4.830 -12.438 5.866 1.00 61.54 ATOM 111 CE1 HIS 7 -1.956 -10.984 6.119 1.00 71.20 ATOM 112 HE1 HIS 7 -0.919 -10.894 6.407 1.00 42.04 ATOM 113 NE2 HIS 7 -2.728 -12.028 6.343 1.00 65.13 ATOM 114 HE2 HIS 7 -2.495 -12.782 6.926 1.00 35.64 ATOM 115 C HIS 7 -6.892 -9.734 2.917 1.00 71.41 ATOM 116 O HIS 7 -7.820 -9.716 3.724 1.00 4.05 ATOM 117 N HIS 8 -7.008 -9.260 1.675 1.00 52.14 ATOM 118 HN HIS 8 -6.228 -9.286 1.086 1.00 35.64 ATOM 119 CA HIS 8 -8.261 -8.683 1.165 1.00 34.01 ATOM 120 HA HIS 8 -8.912 -8.493 2.009 1.00 44.24 ATOM 121 CB HIS 8 -7.955 -7.352 0.458 1.00 2.50 ATOM 122 HB1 HIS 8 -7.288 -7.540 -0.372 1.00 35.64 ATOM 123 HB2 HIS 8 -7.467 -6.688 1.156 1.00 63.23 ATOM 124 CG HIS 8 -9.164 -6.643 -0.074 1.00 72.41 ATOM 125 ND1 HIS 8 -9.339 -6.362 -1.412 1.00 4.54 ATOM 126 HD1 HIS 8 -8.706 -6.577 -2.131 1.00 61.34 ATOM 127 CD2 HIS 8 -10.265 -6.162 0.554 1.00 44.33 ATOM 128 HD2 HIS 8 -10.471 -6.204 1.613 1.00 15.05 ATOM 129 CE1 HIS 8 -10.487 -5.744 -1.586 1.00 4.11 ATOM 130 HE1 HIS 8 -10.887 -5.407 -2.531 1.00 53.12 ATOM 131 NE2 HIS 8 -11.067 -5.610 -0.413 1.00 60.35 ATOM 132 HE2 HIS 8 -11.900 -5.118 -0.250 1.00 35.64 ATOM 133 C HIS 8 -8.971 -9.661 0.205 1.00 40.24 ATOM 134 O HIS 8 -9.951 -9.312 -0.454 1.00 34.22 ATOM 135 N SER 9 -8.471 -10.892 0.138 1.00 40.43 ATOM 136 HN SER 9 -7.699 -11.118 0.694 1.00 35.64 ATOM 137 CA SER 9 -9.051 -11.924 -0.733 1.00 10.13 ATOM 138 HA SER 9 -10.128 -11.852 -0.654 1.00 41.54 ATOM 139 CB SER 9 -8.646 -11.687 -2.202 1.00 74.21 ATOM 140 HB1 SER 9 -7.573 -11.572 -2.264 1.00 35.64 ATOM 141 HB2 SER 9 -9.123 -10.789 -2.563 1.00 13.10 ATOM 142 OG SER 9 -9.035 -12.768 -3.035 1.00 1.24 ATOM 143 HG SER 9 -9.980 -12.941 -2.921 1.00 44.04 ATOM 144 C SER 9 -8.627 -13.328 -0.282 1.00 15.22 ATOM 145 O SER 9 -9.279 -13.946 0.563 1.00 20.13 ATOM 146 N HIS 10 -7.517 -13.820 -0.829 1.00 73.34 ATOM 147 HN HIS 10 -7.056 -13.300 -1.516 1.00 35.64 ATOM 148 CA HIS 10 -6.974 -15.127 -0.448 1.00 33.13 ATOM 149 HA HIS 10 -7.589 -15.527 0.345 1.00 52.53 ATOM 150 CB HIS 10 -7.017 -16.089 -1.642 1.00 61.11 ATOM 151 HB1 HIS 10 -6.459 -15.662 -2.463 1.00 35.64 ATOM 152 HB2 HIS 10 -8.045 -16.228 -1.947 1.00 43.32 ATOM 153 CG HIS 10 -6.440 -17.437 -1.343 1.00 74.51 ATOM 154 ND1 HIS 10 -5.097 -17.720 -1.463 1.00 10.44 ATOM 155 HD1 HIS 10 -4.404 -17.093 -1.759 1.00 52.43 ATOM 156 CD2 HIS 10 -7.024 -18.582 -0.917 1.00 12.33 ATOM 157 HD2 HIS 10 -8.075 -18.731 -0.717 1.00 25.31 ATOM 158 CE1 HIS 10 -4.880 -18.972 -1.127 1.00 20.32 ATOM 159 HE1 HIS 10 -3.920 -19.467 -1.125 1.00 74.14 ATOM 160 NE2 HIS 10 -6.029 -19.519 -0.789 1.00 21.22 ATOM 161 HE2 HIS 10 -6.118 -20.376 -0.315 1.00 35.64 ATOM 162 C HIS 10 -5.532 -14.991 0.065 1.00 54.50 ATOM 163 O HIS 10 -4.615 -14.713 -0.711 1.00 52.54 ATOM 164 N PRO 11 -5.311 -15.167 1.381 1.00 52.12 ATOM 165 CA PRO 11 -3.966 -15.087 1.972 1.00 12.42 ATOM 166 HA PRO 11 -3.442 -14.204 1.635 1.00 75.01 ATOM 167 CB PRO 11 -4.261 -14.968 3.475 1.00 24.02 ATOM 168 HB1 PRO 11 -4.348 -13.926 3.750 1.00 35.64 ATOM 169 HB2 PRO 11 -3.464 -15.428 4.043 1.00 50.54 ATOM 170 CG PRO 11 -5.554 -15.688 3.663 1.00 74.24 ATOM 171 HG1 PRO 11 -6.078 -15.286 4.519 1.00 35.64 ATOM 172 HG2 PRO 11 -5.368 -16.745 3.801 1.00 45.42 ATOM 173 CD PRO 11 -6.348 -15.452 2.399 1.00 32.13 ATOM 174 HD1 PRO 11 -7.009 -14.606 2.520 1.00 35.64 ATOM 175 HD2 PRO 11 -6.914 -16.337 2.137 1.00 12.25 ATOM 176 C PRO 11 -3.111 -16.334 1.681 1.00 32.30 ATOM 177 O PRO 11 -3.625 -17.451 1.622 1.00 43.11 ATOM 178 N ASN 12 -1.804 -16.141 1.489 1.00 25.31 ATOM 179 HN ASN 12 -1.451 -15.229 1.466 1.00 35.64 ATOM 180 CA ASN 12 -0.889 -17.273 1.294 1.00 2.24 ATOM 181 HA ASN 12 -1.334 -17.931 0.558 1.00 61.54 ATOM 182 CB ASN 12 0.472 -16.795 0.769 1.00 10.10 ATOM 183 HB1 ASN 12 0.316 -16.188 -0.113 1.00 35.64 ATOM 184 HB2 ASN 12 1.072 -17.654 0.504 1.00 44.04 ATOM 185 CG ASN 12 1.241 -15.975 1.788 1.00 74.24 ATOM 186 OD1 ASN 12 1.942 -16.517 2.632 1.00 31.41 ATOM 187 ND2 ASN 12 1.126 -14.666 1.716 1.00 20.11 ATOM 188 HD21 ASN 12 0.556 -14.287 1.017 1.00 4.10 ATOM 189 HD22 ASN 12 1.626 -14.126 2.364 1.00 14.42 ATOM 190 C ASN 12 -0.707 -18.061 2.605 1.00 44.01 ATOM 191 O ASN 12 -1.228 -17.668 3.655 1.00 21.33 ATOM 192 N GLU 13 0.043 -19.159 2.547 1.00 20.43 ATOM 193 HN GLU 13 0.466 -19.407 1.694 1.00 35.64 ATOM 194 CA GLU 13 0.243 -20.014 3.722 1.00 3.11 ATOM 195 HA GLU 13 -0.729 -20.390 4.011 1.00 0.14 ATOM 196 CB GLU 13 1.138 -21.206 3.372 1.00 14.44 ATOM 197 HB1 GLU 13 2.097 -20.838 3.033 1.00 35.64 ATOM 198 HB2 GLU 13 0.675 -21.763 2.569 1.00 1.40 ATOM 199 CG GLU 13 1.375 -22.159 4.542 1.00 24.12 ATOM 200 HG1 GLU 13 0.429 -22.360 5.025 1.00 35.64 ATOM 201 HG2 GLU 13 2.042 -21.685 5.249 1.00 64.22 ATOM 202 CD GLU 13 1.984 -23.477 4.104 1.00 23.23 ATOM 203 OE1 GLU 13 1.284 -24.244 3.407 1.00 51.11 ATOM 204 OE2 GLU 13 3.147 -23.752 4.449 1.00 51.32 ATOM 205 C GLU 13 0.831 -19.239 4.912 1.00 4.32 ATOM 206 O GLU 13 0.388 -19.402 6.051 1.00 2.11 ATOM 207 N GLU 14 1.819 -18.396 4.651 1.00 23.32 ATOM 208 HN GLU 14 2.150 -18.312 3.731 1.00 35.64 ATOM 209 CA GLU 14 2.421 -17.580 5.705 1.00 43.32 ATOM 210 HA GLU 14 2.627 -18.231 6.545 1.00 41.40 ATOM 211 CB GLU 14 3.739 -16.969 5.218 1.00 63.22 ATOM 212 HB1 GLU 14 3.518 -16.209 4.480 1.00 35.64 ATOM 213 HB2 GLU 14 4.331 -17.744 4.754 1.00 65.33 ATOM 214 CG GLU 14 4.571 -16.331 6.327 1.00 51.32 ATOM 215 HG1 GLU 14 3.976 -15.565 6.807 1.00 35.64 ATOM 216 HG2 GLU 14 5.446 -15.877 5.885 1.00 11.53 ATOM 217 CD GLU 14 5.029 -17.327 7.385 1.00 24.44 ATOM 218 OE1 GLU 14 5.369 -16.897 8.506 1.00 62.14 ATOM 219 OE2 GLU 14 5.067 -18.543 7.101 1.00 33.01 ATOM 220 C GLU 14 1.459 -16.471 6.166 1.00 20.03 ATOM 221 O GLU 14 1.425 -16.109 7.340 1.00 64.45 ATOM 222 N ALA 15 0.670 -15.944 5.229 1.00 71.14 ATOM 223 HN ALA 15 0.748 -16.275 4.309 1.00 35.64 ATOM 224 CA ALA 15 -0.295 -14.875 5.528 1.00 51.13 ATOM 225 HA ALA 15 0.245 -14.077 6.021 1.00 63.22 ATOM 226 CB ALA 15 -0.880 -14.312 4.239 1.00 30.21 ATOM 227 HB1 ALA 15 -1.548 -13.496 4.472 1.00 2.30 ATOM 228 HB2 ALA 15 -1.426 -15.088 3.721 1.00 61.32 ATOM 229 HB3 ALA 15 -0.081 -13.952 3.605 1.00 63.02 ATOM 230 C ALA 15 -1.423 -15.353 6.459 1.00 31.41 ATOM 231 O ALA 15 -1.875 -14.604 7.329 1.00 70.24 ATOM 232 N ARG 16 -1.895 -16.589 6.261 1.00 3.52 ATOM 233 HN ARG 16 -1.579 -17.103 5.487 1.00 35.64 ATOM 234 CA ARG 16 -2.887 -17.186 7.169 1.00 14.13 ATOM 235 HA ARG 16 -3.669 -16.451 7.322 1.00 22.35 ATOM 236 CB ARG 16 -3.516 -18.455 6.551 1.00 15.15 ATOM 237 HB1 ARG 16 -4.037 -18.174 5.646 1.00 35.64 ATOM 238 HB2 ARG 16 -4.231 -18.866 7.250 1.00 2.30 ATOM 239 CG ARG 16 -2.509 -19.549 6.200 1.00 2.14 ATOM 240 HG1 ARG 16 -1.997 -19.855 7.103 1.00 35.64 ATOM 241 HG2 ARG 16 -1.789 -19.144 5.504 1.00 64.44 ATOM 242 CD ARG 16 -3.167 -20.775 5.564 1.00 3.11 ATOM 243 HD1 ARG 16 -3.739 -20.457 4.703 1.00 35.64 ATOM 244 HD2 ARG 16 -3.830 -21.231 6.287 1.00 13.33 ATOM 245 NE ARG 16 -2.175 -21.768 5.136 1.00 73.55 ATOM 246 HE ARG 16 -1.233 -21.546 5.261 1.00 75.21 ATOM 247 CZ ARG 16 -2.472 -22.922 4.589 1.00 44.14 ATOM 248 NH1 ARG 16 -3.704 -23.291 4.448 1.00 40.12 ATOM 249 HH11 ARG 16 -4.444 -22.697 4.758 1.00 72.54 ATOM 250 HH12 ARG 16 -3.912 -24.173 4.038 1.00 2.21 ATOM 251 NH2 ARG 16 -1.528 -23.719 4.200 1.00 74.20 ATOM 252 HH21 ARG 16 -0.573 -23.461 4.314 1.00 50.53 ATOM 253 HH22 ARG 16 -1.760 -24.599 3.788 1.00 3.03 ATOM 254 C ARG 16 -2.246 -17.501 8.535 1.00 24.20 ATOM 255 O ARG 16 -2.887 -17.386 9.580 1.00 71.40 ATOM 256 N LEU 17 -0.966 -17.877 8.513 1.00 60.45 ATOM 257 HN LEU 17 -0.525 -18.010 7.646 1.00 35.64 ATOM 258 CA LEU 17 -0.195 -18.106 9.741 1.00 62.34 ATOM 259 HA LEU 17 -0.761 -18.782 10.368 1.00 12.23 ATOM 260 CB LEU 17 1.154 -18.758 9.395 1.00 30.43 ATOM 261 HB1 LEU 17 1.589 -18.214 8.569 1.00 35.64 ATOM 262 HB2 LEU 17 0.962 -19.771 9.072 1.00 3.14 ATOM 263 CG LEU 17 2.184 -18.802 10.537 1.00 14.41 ATOM 264 HG LEU 17 2.397 -17.789 10.856 1.00 40.11 ATOM 265 CD1 LEU 17 1.629 -19.557 11.736 1.00 73.12 ATOM 266 HD11 LEU 17 1.370 -20.564 11.442 1.00 24.11 ATOM 267 HD12 LEU 17 0.748 -19.050 12.102 1.00 11.52 ATOM 268 HD13 LEU 17 2.373 -19.589 12.518 1.00 4.23 ATOM 269 CD2 LEU 17 3.495 -19.428 10.063 1.00 12.22 ATOM 270 HD21 LEU 17 3.902 -18.844 9.251 1.00 51.34 ATOM 271 HD22 LEU 17 3.314 -20.439 9.724 1.00 71.34 ATOM 272 HD23 LEU 17 4.201 -19.446 10.881 1.00 5.42 ATOM 273 C LEU 17 0.038 -16.797 10.513 1.00 35.30 ATOM 274 O LEU 17 -0.032 -16.764 11.744 1.00 14.21 ATOM 275 N ASP 18 0.310 -15.722 9.781 1.00 22.12 ATOM 276 HN ASP 18 0.316 -15.805 8.804 1.00 35.64 ATOM 277 CA ASP 18 0.618 -14.424 10.384 1.00 41.41 ATOM 278 HA ASP 18 1.520 -14.546 10.966 1.00 2.24 ATOM 279 CB ASP 18 0.873 -13.390 9.277 1.00 52.24 ATOM 280 HB1 ASP 18 -0.018 -12.797 9.125 1.00 35.64 ATOM 281 HB2 ASP 18 1.112 -13.906 8.357 1.00 22.24 ATOM 282 CG ASP 18 2.024 -12.460 9.615 1.00 53.04 ATOM 283 OD1 ASP 18 3.192 -12.898 9.517 1.00 1.13 ATOM 284 OD2 ASP 18 1.772 -11.293 9.979 1.00 14.22 ATOM 285 C ASP 18 -0.511 -13.961 11.329 1.00 4.14 ATOM 286 O ASP 18 -0.266 -13.271 12.324 1.00 20.13 ATOM 287 N ILE 19 -1.739 -14.371 11.016 1.00 24.23 ATOM 288 HN ILE 19 -1.870 -14.879 10.187 1.00 35.64 ATOM 289 CA ILE 19 -2.902 -14.089 11.868 1.00 25.23 ATOM 290 HA ILE 19 -2.926 -13.026 12.071 1.00 54.30 ATOM 291 CB ILE 19 -4.221 -14.489 11.157 1.00 43.33 ATOM 292 HB ILE 19 -4.277 -15.570 11.130 1.00 50.25 ATOM 293 CG1 ILE 19 -4.249 -13.950 9.717 1.00 3.12 ATOM 294 HG11 ILE 19 -3.325 -14.214 9.221 1.00 35.64 ATOM 295 HG12 ILE 19 -4.342 -12.873 9.742 1.00 32.44 ATOM 296 CG2 ILE 19 -5.429 -13.971 11.940 1.00 44.42 ATOM 297 HG21 ILE 19 -5.418 -14.386 12.937 1.00 33.44 ATOM 298 HG22 ILE 19 -6.339 -14.268 11.439 1.00 34.32 ATOM 299 HG23 ILE 19 -5.387 -12.893 11.998 1.00 34.02 ATOM 300 CD1 ILE 19 -5.394 -14.493 8.885 1.00 33.44 ATOM 301 HD11 ILE 19 -5.332 -14.094 7.885 1.00 11.50 ATOM 302 HD12 ILE 19 -6.334 -14.204 9.332 1.00 23.13 ATOM 303 HD13 ILE 19 -5.330 -15.573 8.846 1.00 3.21 ATOM 304 C ILE 19 -2.799 -14.860 13.197 1.00 51.32 ATOM 305 O ILE 19 -3.009 -14.299 14.279 1.00 65.05 ATOM 306 N LEU 20 -2.476 -16.151 13.098 1.00 62.45 ATOM 307 HN LEU 20 -2.372 -16.544 12.204 1.00 35.64 ATOM 308 CA LEU 20 -2.263 -17.008 14.274 1.00 34.51 ATOM 309 HA LEU 20 -3.191 -17.049 14.828 1.00 15.41 ATOM 310 CB LEU 20 -1.884 -18.427 13.825 1.00 12.32 ATOM 311 HB1 LEU 20 -1.558 -18.983 14.694 1.00 35.64 ATOM 312 HB2 LEU 20 -1.052 -18.351 13.138 1.00 44.04 ATOM 313 CG LEU 20 -3.010 -19.221 13.140 1.00 23.45 ATOM 314 HG LEU 20 -3.491 -18.591 12.406 1.00 20.13 ATOM 315 CD1 LEU 20 -2.453 -20.443 12.416 1.00 12.44 ATOM 316 HD11 LEU 20 -1.725 -20.126 11.682 1.00 71.13 ATOM 317 HD12 LEU 20 -3.259 -20.964 11.919 1.00 42.11 ATOM 318 HD13 LEU 20 -1.981 -21.104 13.129 1.00 54.14 ATOM 319 CD2 LEU 20 -4.065 -19.644 14.163 1.00 45.44 ATOM 320 HD21 LEU 20 -3.609 -20.276 14.912 1.00 62.21 ATOM 321 HD22 LEU 20 -4.853 -20.189 13.664 1.00 3.03 ATOM 322 HD23 LEU 20 -4.480 -18.766 14.636 1.00 1.42 ATOM 323 C LEU 20 -1.168 -16.435 15.184 1.00 61.34 ATOM 324 O LEU 20 -1.294 -16.446 16.412 1.00 74.45 ATOM 325 N LYS 21 -0.094 -15.931 14.575 1.00 22.24 ATOM 326 HN LYS 21 -0.016 -16.021 13.600 1.00 35.64 ATOM 327 CA LYS 21 0.974 -15.257 15.322 1.00 3.53 ATOM 328 HA LYS 21 1.469 -15.993 15.940 1.00 62.42 ATOM 329 CB LYS 21 1.994 -14.631 14.367 1.00 42.45 ATOM 330 HB1 LYS 21 2.761 -14.142 14.955 1.00 35.64 ATOM 331 HB2 LYS 21 1.490 -13.883 13.768 1.00 41.23 ATOM 332 CG LYS 21 2.677 -15.609 13.418 1.00 41.24 ATOM 333 HG1 LYS 21 1.924 -16.148 12.860 1.00 35.64 ATOM 334 HG2 LYS 21 3.272 -16.305 13.994 1.00 74.41 ATOM 335 CD LYS 21 3.581 -14.861 12.444 1.00 5.01 ATOM 336 HD1 LYS 21 4.359 -14.361 13.005 1.00 35.64 ATOM 337 HD2 LYS 21 2.989 -14.125 11.924 1.00 75.11 ATOM 338 CE LYS 21 4.228 -15.773 11.413 1.00 52.04 ATOM 339 HE1 LYS 21 3.454 -16.320 10.891 1.00 35.64 ATOM 340 HE2 LYS 21 4.881 -16.468 11.921 1.00 32.05 ATOM 341 NZ LYS 21 5.021 -14.993 10.427 1.00 71.53 ATOM 342 HZ1 LYS 21 5.812 -14.512 10.903 1.00 74.24 ATOM 343 HZ2 LYS 21 4.422 -14.277 9.969 1.00 74.30 ATOM 344 HZ3 LYS 21 5.406 -15.625 9.696 1.00 73.34 ATOM 345 C LYS 21 0.401 -14.151 16.219 1.00 61.43 ATOM 346 O LYS 21 0.604 -14.150 17.432 1.00 44.23 ATOM 347 N ILE 22 -0.332 -13.222 15.605 1.00 4.04 ATOM 348 HN ILE 22 -0.503 -13.313 14.641 1.00 35.64 ATOM 349 CA ILE 22 -0.890 -12.069 16.324 1.00 52.15 ATOM 350 HA ILE 22 -0.058 -11.494 16.712 1.00 64.21 ATOM 351 CB ILE 22 -1.708 -11.151 15.379 1.00 51.13 ATOM 352 HB ILE 22 -2.549 -11.719 15.003 1.00 12.43 ATOM 353 CG1 ILE 22 -0.844 -10.688 14.193 1.00 73.35 ATOM 354 HG11 ILE 22 -0.460 -11.556 13.678 1.00 35.64 ATOM 355 HG12 ILE 22 -0.016 -10.101 14.564 1.00 32.05 ATOM 356 CG2 ILE 22 -2.256 -9.946 16.149 1.00 13.12 ATOM 357 HG21 ILE 22 -1.435 -9.387 16.577 1.00 40.01 ATOM 358 HG22 ILE 22 -2.906 -10.289 16.941 1.00 12.51 ATOM 359 HG23 ILE 22 -2.815 -9.309 15.478 1.00 3.43 ATOM 360 CD1 ILE 22 -1.593 -9.842 13.181 1.00 1.13 ATOM 361 HD11 ILE 22 -2.002 -8.970 13.670 1.00 61.10 ATOM 362 HD12 ILE 22 -2.395 -10.422 12.748 1.00 23.22 ATOM 363 HD13 ILE 22 -0.914 -9.531 12.401 1.00 23.12 ATOM 364 C ILE 22 -1.785 -12.497 17.502 1.00 62.10 ATOM 365 O ILE 22 -1.573 -12.075 18.640 1.00 63.20 ATOM 366 N HIS 23 -2.777 -13.344 17.232 1.00 3.53 ATOM 367 HN HIS 23 -2.864 -13.702 16.322 1.00 35.64 ATOM 368 CA HIS 23 -3.736 -13.765 18.268 1.00 3.51 ATOM 369 HA HIS 23 -4.140 -12.865 18.715 1.00 4.33 ATOM 370 CB HIS 23 -4.893 -14.553 17.639 1.00 42.12 ATOM 371 HB1 HIS 23 -5.476 -15.017 18.423 1.00 35.64 ATOM 372 HB2 HIS 23 -4.491 -15.323 16.995 1.00 44.14 ATOM 373 CG HIS 23 -5.816 -13.700 16.821 1.00 22.45 ATOM 374 ND1 HIS 23 -6.968 -13.145 17.333 1.00 55.00 ATOM 375 HD1 HIS 23 -7.299 -13.255 18.250 1.00 73.23 ATOM 376 CD2 HIS 23 -5.753 -13.293 15.529 1.00 34.41 ATOM 377 HD2 HIS 23 -4.979 -13.536 14.814 1.00 35.31 ATOM 378 CE1 HIS 23 -7.569 -12.439 16.401 1.00 51.55 ATOM 379 HE1 HIS 23 -8.494 -11.893 16.522 1.00 21.42 ATOM 380 NE2 HIS 23 -6.856 -12.510 15.300 1.00 64.43 ATOM 381 HE2 HIS 23 -7.030 -11.990 14.483 1.00 35.64 ATOM 382 C HIS 23 -3.066 -14.591 19.381 1.00 25.33 ATOM 383 O HIS 23 -3.518 -14.584 20.528 1.00 53.14 ATOM 384 N SER 24 -1.982 -15.288 19.050 1.00 3.03 ATOM 385 HN SER 24 -1.660 -15.262 18.123 1.00 35.64 ATOM 386 CA SER 24 -1.268 -16.112 20.038 1.00 24.14 ATOM 387 HA SER 24 -2.011 -16.612 20.643 1.00 65.23 ATOM 388 CB SER 24 -0.406 -17.175 19.345 1.00 33.11 ATOM 389 HB1 SER 24 -1.026 -17.754 18.675 1.00 35.64 ATOM 390 HB2 SER 24 0.023 -17.830 20.089 1.00 50.24 ATOM 391 OG SER 24 0.648 -16.585 18.597 1.00 71.34 ATOM 392 HG SER 24 0.360 -16.467 17.683 1.00 24.40 ATOM 393 C SER 24 -0.384 -15.264 20.964 1.00 11.24 ATOM 394 O SER 24 0.085 -15.750 21.989 1.00 60.41 ATOM 395 N ARG 25 -0.169 -13.993 20.611 1.00 50.14 ATOM 396 HN ARG 25 -0.592 -13.646 19.797 1.00 35.64 ATOM 397 CA ARG 25 0.691 -13.106 21.415 1.00 74.13 ATOM 398 HA ARG 25 1.659 -13.582 21.498 1.00 72.44 ATOM 399 CB ARG 25 0.878 -11.739 20.730 1.00 15.43 ATOM 400 HB1 ARG 25 1.524 -11.129 21.348 1.00 35.64 ATOM 401 HB2 ARG 25 -0.087 -11.254 20.659 1.00 61.53 ATOM 402 CG ARG 25 1.482 -11.797 19.323 1.00 2.10 ATOM 403 HG1 ARG 25 1.660 -10.787 18.979 1.00 35.64 ATOM 404 HG2 ARG 25 0.774 -12.276 18.664 1.00 34.11 ATOM 405 CD ARG 25 2.797 -12.574 19.272 1.00 31.21 ATOM 406 HD1 ARG 25 3.399 -12.292 20.123 1.00 35.64 ATOM 407 HD2 ARG 25 3.320 -12.315 18.362 1.00 11.02 ATOM 408 NE ARG 25 2.579 -14.020 19.296 1.00 52.41 ATOM 409 HE ARG 25 1.711 -14.346 18.988 1.00 72.41 ATOM 410 CZ ARG 25 3.460 -14.900 19.684 1.00 3.53 ATOM 411 NH1 ARG 25 4.636 -14.536 20.089 1.00 34.02 ATOM 412 HH11 ARG 25 4.886 -13.572 20.103 1.00 4.11 ATOM 413 HH12 ARG 25 5.293 -15.229 20.383 1.00 62.21 ATOM 414 NH2 ARG 25 3.159 -16.154 19.665 1.00 2.33 ATOM 415 HH21 ARG 25 2.257 -16.447 19.349 1.00 44.44 ATOM 416 HH22 ARG 25 3.831 -16.829 19.968 1.00 64.10 ATOM 417 C ARG 25 0.135 -12.894 22.833 1.00 0.12 ATOM 418 O ARG 25 0.884 -12.587 23.761 1.00 40.55 ATOM 419 N LYS 26 -1.178 -13.045 22.995 1.00 13.33 ATOM 420 HN LYS 26 -1.728 -13.272 22.219 1.00 35.64 ATOM 421 CA LYS 26 -1.821 -12.875 24.307 1.00 12.51 ATOM 422 HA LYS 26 -1.223 -12.177 24.877 1.00 11.05 ATOM 423 CB LYS 26 -3.229 -12.285 24.134 1.00 63.32 ATOM 424 HB1 LYS 26 -3.715 -12.252 25.100 1.00 35.64 ATOM 425 HB2 LYS 26 -3.799 -12.930 23.479 1.00 73.44 ATOM 426 CG LYS 26 -3.240 -10.876 23.547 1.00 2.12 ATOM 427 HG1 LYS 26 -2.787 -10.904 22.565 1.00 35.64 ATOM 428 HG2 LYS 26 -2.666 -10.224 24.190 1.00 4.31 ATOM 429 CD LYS 26 -4.660 -10.327 23.424 1.00 34.43 ATOM 430 HD1 LYS 26 -5.135 -10.360 24.395 1.00 35.64 ATOM 431 HD2 LYS 26 -5.215 -10.944 22.732 1.00 73.13 ATOM 432 CE LYS 26 -4.673 -8.888 22.917 1.00 34.42 ATOM 433 HE1 LYS 26 -4.121 -8.270 23.612 1.00 35.64 ATOM 434 HE2 LYS 26 -5.696 -8.545 22.868 1.00 61.14 ATOM 435 NZ LYS 26 -4.061 -8.761 21.568 1.00 63.32 ATOM 436 HZ1 LYS 26 -3.058 -9.037 21.597 1.00 41.55 ATOM 437 HZ2 LYS 26 -4.124 -7.778 21.238 1.00 22.43 ATOM 438 HZ3 LYS 26 -4.557 -9.372 20.891 1.00 45.41 ATOM 439 C LYS 26 -1.899 -14.201 25.088 1.00 64.04 ATOM 440 O LYS 26 -2.286 -14.221 26.259 1.00 24.55 ATOM 441 N MET 27 -1.526 -15.306 24.443 1.00 2.11 ATOM 442 HN MET 27 -1.180 -15.230 23.528 1.00 35.64 ATOM 443 CA MET 27 -1.592 -16.631 25.074 1.00 45.11 ATOM 444 HA MET 27 -1.971 -16.501 26.080 1.00 50.43 ATOM 445 CB MET 27 -2.550 -17.548 24.301 1.00 54.12 ATOM 446 HB1 MET 27 -2.591 -18.509 24.795 1.00 35.64 ATOM 447 HB2 MET 27 -2.171 -17.686 23.298 1.00 1.42 ATOM 448 CG MET 27 -3.969 -17.004 24.204 1.00 13.11 ATOM 449 HG1 MET 27 -3.949 -16.080 23.644 1.00 35.64 ATOM 450 HG2 MET 27 -4.334 -16.812 25.202 1.00 74.43 ATOM 451 SD MET 27 -5.105 -18.146 23.394 1.00 35.45 ATOM 452 CE MET 27 -4.286 -18.396 21.818 1.00 75.24 ATOM 453 HE1 MET 27 -3.307 -18.824 21.985 1.00 3.35 ATOM 454 HE2 MET 27 -4.183 -17.449 21.311 1.00 35.44 ATOM 455 HE3 MET 27 -4.874 -19.068 21.207 1.00 35.34 ATOM 456 C MET 27 -0.203 -17.278 25.158 1.00 4.42 ATOM 457 O MET 27 0.609 -17.155 24.241 1.00 3.00 ATOM 458 N ASN 28 0.064 -17.966 26.262 1.00 11.35 ATOM 459 HN ASN 28 -0.622 -18.030 26.962 1.00 35.64 ATOM 460 CA ASN 28 1.352 -18.636 26.462 1.00 12.50 ATOM 461 HA ASN 28 2.136 -17.939 26.199 1.00 64.24 ATOM 462 CB ASN 28 1.515 -19.036 27.930 1.00 11.53 ATOM 463 HB1 ASN 28 2.497 -19.466 28.072 1.00 35.64 ATOM 464 HB2 ASN 28 0.766 -19.774 28.180 1.00 62.02 ATOM 465 CG ASN 28 1.365 -17.861 28.876 1.00 4.43 ATOM 466 OD1 ASN 28 1.692 -16.727 28.540 1.00 5.02 ATOM 467 ND2 ASN 28 0.862 -18.119 30.066 1.00 21.12 ATOM 468 HD21 ASN 28 0.613 -19.045 30.272 1.00 61.31 ATOM 469 HD22 ASN 28 0.757 -17.375 30.693 1.00 51.23 ATOM 470 C ASN 28 1.474 -19.882 25.575 1.00 2.43 ATOM 471 O ASN 28 0.778 -20.873 25.787 1.00 53.03 ATOM 472 N LEU 29 2.349 -19.828 24.580 1.00 62.34 ATOM 473 HN LEU 29 2.851 -18.999 24.430 1.00 35.64 ATOM 474 CA LEU 29 2.575 -20.976 23.696 1.00 21.04 ATOM 475 HA LEU 29 1.632 -21.491 23.576 1.00 32.21 ATOM 476 CB LEU 29 3.056 -20.499 22.321 1.00 4.10 ATOM 477 HB1 LEU 29 3.274 -21.369 21.720 1.00 35.64 ATOM 478 HB2 LEU 29 3.974 -19.942 22.459 1.00 31.32 ATOM 479 CG LEU 29 2.066 -19.616 21.546 1.00 42.44 ATOM 480 HG LEU 29 1.895 -18.705 22.102 1.00 40.30 ATOM 481 CD1 LEU 29 2.642 -19.231 20.188 1.00 3.52 ATOM 482 HD11 LEU 29 3.573 -18.702 20.327 1.00 1.32 ATOM 483 HD12 LEU 29 1.941 -18.592 19.668 1.00 23.44 ATOM 484 HD13 LEU 29 2.818 -20.123 19.603 1.00 71.31 ATOM 485 CD2 LEU 29 0.723 -20.325 21.380 1.00 73.43 ATOM 486 HD21 LEU 29 0.298 -20.527 22.353 1.00 44.22 ATOM 487 HD22 LEU 29 0.868 -21.257 20.850 1.00 72.31 ATOM 488 HD23 LEU 29 0.048 -19.695 20.819 1.00 14.11 ATOM 489 C LEU 29 3.596 -21.955 24.296 1.00 5.24 ATOM 490 O LEU 29 4.449 -21.569 25.099 1.00 43.20 ATOM 491 N THR 30 3.500 -23.227 23.913 1.00 32.51 ATOM 492 HN THR 30 2.768 -23.494 23.317 1.00 35.64 ATOM 493 CA THR 30 4.456 -24.242 24.376 1.00 5.23 ATOM 494 HA THR 30 4.680 -24.029 25.414 1.00 44.41 ATOM 495 CB THR 30 3.867 -25.671 24.303 1.00 65.12 ATOM 496 HB THR 30 2.956 -25.698 24.885 1.00 12.23 ATOM 497 OG1 THR 30 4.799 -26.611 24.856 1.00 23.51 ATOM 498 HG1 THR 30 4.342 -27.444 25.042 1.00 54.30 ATOM 499 CG2 THR 30 3.536 -26.067 22.867 1.00 55.31 ATOM 500 HG21 THR 30 4.435 -26.045 22.267 1.00 74.34 ATOM 501 HG22 THR 30 2.814 -25.375 22.457 1.00 25.34 ATOM 502 HG23 THR 30 3.121 -27.066 22.855 1.00 12.03 ATOM 503 C THR 30 5.771 -24.195 23.580 1.00 31.31 ATOM 504 O THR 30 5.881 -23.493 22.571 1.00 13.12 ATOM 505 N ARG 31 6.756 -24.967 24.030 1.00 11.31 ATOM 506 HN ARG 31 6.566 -25.593 24.762 1.00 35.64 ATOM 507 CA ARG 31 8.106 -24.931 23.457 1.00 54.01 ATOM 508 HA ARG 31 8.431 -23.901 23.453 1.00 20.34 ATOM 509 CB ARG 31 9.064 -25.742 24.337 1.00 41.24 ATOM 510 HB1 ARG 31 10.065 -25.649 23.937 1.00 35.64 ATOM 511 HB2 ARG 31 8.771 -26.783 24.307 1.00 43.40 ATOM 512 CG ARG 31 9.086 -25.290 25.794 1.00 14.31 ATOM 513 HG1 ARG 31 8.096 -25.409 26.212 1.00 35.64 ATOM 514 HG2 ARG 31 9.369 -24.247 25.834 1.00 2.13 ATOM 515 CD ARG 31 10.076 -26.100 26.625 1.00 23.11 ATOM 516 HD1 ARG 31 11.070 -25.948 26.229 1.00 35.64 ATOM 517 HD2 ARG 31 9.818 -27.147 26.554 1.00 12.55 ATOM 518 NE ARG 31 10.062 -25.709 28.032 1.00 24.32 ATOM 519 HE ARG 31 9.281 -25.220 28.357 1.00 1.14 ATOM 520 CZ ARG 31 11.008 -25.998 28.881 1.00 11.44 ATOM 521 NH1 ARG 31 12.088 -26.598 28.490 1.00 70.12 ATOM 522 HH11 ARG 31 12.206 -26.838 27.530 1.00 35.15 ATOM 523 HH12 ARG 31 12.797 -26.832 29.154 1.00 62.31 ATOM 524 NH2 ARG 31 10.879 -25.664 30.121 1.00 14.34 ATOM 525 HH21 ARG 31 10.056 -25.188 30.425 1.00 33.02 ATOM 526 HH22 ARG 31 11.602 -25.882 30.772 1.00 45.12 ATOM 527 C ARG 31 8.146 -25.466 22.014 1.00 73.52 ATOM 528 O ARG 31 7.860 -26.638 21.766 1.00 24.42 ATOM 529 N GLY 32 8.502 -24.594 21.070 1.00 35.12 ATOM 530 HN GLY 32 8.662 -23.658 21.321 1.00 35.64 ATOM 531 CA GLY 32 8.660 -25.004 19.677 1.00 61.22 ATOM 532 HA1 GLY 32 9.314 -25.864 19.641 1.00 35.64 ATOM 533 HA2 GLY 32 9.126 -24.196 19.133 1.00 61.42 ATOM 534 C GLY 32 7.347 -25.357 18.987 1.00 11.43 ATOM 535 O GLY 32 7.339 -26.115 18.017 1.00 42.12 ATOM 536 N ILE 33 6.237 -24.806 19.477 1.00 54.43 ATOM 537 HN ILE 33 6.304 -24.207 20.251 1.00 35.64 ATOM 538 CA ILE 33 4.919 -25.079 18.893 1.00 14.24 ATOM 539 HA ILE 33 4.735 -26.142 18.993 1.00 32.54 ATOM 540 CB ILE 33 3.797 -24.327 19.658 1.00 14.34 ATOM 541 HB ILE 33 3.825 -24.652 20.690 1.00 10.45 ATOM 542 CG1 ILE 33 2.414 -24.665 19.069 1.00 2.44 ATOM 543 HG11 ILE 33 2.278 -25.738 19.079 1.00 35.64 ATOM 544 HG12 ILE 33 2.367 -24.313 18.048 1.00 11.15 ATOM 545 CG2 ILE 33 4.043 -22.819 19.641 1.00 34.33 ATOM 546 HG21 ILE 33 3.250 -22.317 20.175 1.00 52.25 ATOM 547 HG22 ILE 33 4.065 -22.468 18.620 1.00 3.55 ATOM 548 HG23 ILE 33 4.989 -22.602 20.116 1.00 45.41 ATOM 549 CD1 ILE 33 1.256 -24.042 19.823 1.00 60.15 ATOM 550 HD11 ILE 33 1.357 -22.967 19.816 1.00 1.33 ATOM 551 HD12 ILE 33 1.256 -24.397 20.844 1.00 24.34 ATOM 552 HD13 ILE 33 0.327 -24.318 19.347 1.00 24.44 ATOM 553 C ILE 33 4.875 -24.712 17.394 1.00 72.04 ATOM 554 O ILE 33 5.145 -23.571 17.006 1.00 62.22 ATOM 555 N ASN 34 4.560 -25.693 16.550 1.00 60.32 ATOM 556 HN ASN 34 4.391 -26.592 16.905 1.00 35.64 ATOM 557 CA ASN 34 4.484 -25.463 15.104 1.00 74.13 ATOM 558 HA ASN 34 5.256 -24.750 14.844 1.00 23.25 ATOM 559 CB ASN 34 4.742 -26.769 14.336 1.00 52.11 ATOM 560 HB1 ASN 34 3.906 -27.439 14.483 1.00 35.64 ATOM 561 HB2 ASN 34 5.638 -27.235 14.721 1.00 2.01 ATOM 562 CG ASN 34 4.922 -26.548 12.841 1.00 65.03 ATOM 563 OD1 ASN 34 4.425 -25.584 12.271 1.00 53.00 ATOM 564 ND2 ASN 34 5.617 -27.452 12.187 1.00 72.02 ATOM 565 HD21 ASN 34 5.973 -28.214 12.689 1.00 34.02 ATOM 566 HD22 ASN 34 5.752 -27.322 11.227 1.00 10.53 ATOM 567 C ASN 34 3.119 -24.873 14.714 1.00 73.15 ATOM 568 O ASN 34 2.157 -25.606 14.472 1.00 55.13 ATOM 569 N LEU 35 3.039 -23.543 14.676 1.00 10.52 ATOM 570 HN LEU 35 3.827 -23.016 14.922 1.00 35.64 ATOM 571 CA LEU 35 1.802 -22.848 14.295 1.00 52.43 ATOM 572 HA LEU 35 0.988 -23.301 14.844 1.00 72.45 ATOM 573 CB LEU 35 1.885 -21.360 14.673 1.00 51.21 ATOM 574 HB1 LEU 35 1.004 -20.863 14.289 1.00 35.64 ATOM 575 HB2 LEU 35 2.752 -20.938 14.184 1.00 20.34 ATOM 576 CG LEU 35 1.989 -21.055 16.176 1.00 11.44 ATOM 577 HG LEU 35 2.880 -21.523 16.569 1.00 24.11 ATOM 578 CD1 LEU 35 2.111 -19.550 16.409 1.00 34.41 ATOM 579 HD11 LEU 35 2.992 -19.178 15.906 1.00 61.13 ATOM 580 HD12 LEU 35 2.194 -19.355 17.468 1.00 73.14 ATOM 581 HD13 LEU 35 1.236 -19.049 16.018 1.00 20.22 ATOM 582 CD2 LEU 35 0.786 -21.623 16.929 1.00 2.44 ATOM 583 HD21 LEU 35 -0.125 -21.195 16.535 1.00 21.52 ATOM 584 HD22 LEU 35 0.872 -21.382 17.979 1.00 61.01 ATOM 585 HD23 LEU 35 0.761 -22.697 16.810 1.00 1.40 ATOM 586 C LEU 35 1.514 -22.986 12.789 1.00 31.34 ATOM 587 O LEU 35 0.357 -23.004 12.367 1.00 54.31 ATOM 588 N ARG 36 2.570 -23.091 11.981 1.00 75.54 ATOM 589 HN ARG 36 3.470 -23.097 12.370 1.00 35.64 ATOM 590 CA ARG 36 2.417 -23.207 10.524 1.00 44.24 ATOM 591 HA ARG 36 1.798 -22.382 10.197 1.00 61.50 ATOM 592 CB ARG 36 3.787 -23.101 9.831 1.00 55.32 ATOM 593 HB1 ARG 36 4.395 -23.943 10.133 1.00 35.64 ATOM 594 HB2 ARG 36 4.269 -22.189 10.157 1.00 72.10 ATOM 595 CG ARG 36 3.716 -23.085 8.302 1.00 71.52 ATOM 596 HG1 ARG 36 2.980 -22.356 7.992 1.00 35.64 ATOM 597 HG2 ARG 36 3.419 -24.064 7.956 1.00 11.43 ATOM 598 CD ARG 36 5.064 -22.726 7.675 1.00 52.33 ATOM 599 HD1 ARG 36 4.993 -22.856 6.604 1.00 35.64 ATOM 600 HD2 ARG 36 5.817 -23.396 8.065 1.00 3.40 ATOM 601 NE ARG 36 5.461 -21.340 7.960 1.00 40.23 ATOM 602 HE ARG 36 4.884 -20.623 7.617 1.00 15.12 ATOM 603 CZ ARG 36 6.536 -20.995 8.622 1.00 12.35 ATOM 604 NH1 ARG 36 7.333 -21.887 9.111 1.00 41.12 ATOM 605 HH11 ARG 36 7.136 -22.855 8.987 1.00 21.14 ATOM 606 HH12 ARG 36 8.145 -21.601 9.620 1.00 61.14 ATOM 607 NH2 ARG 36 6.810 -19.747 8.795 1.00 74.14 ATOM 608 HH21 ARG 36 6.199 -19.046 8.423 1.00 3.23 ATOM 609 HH22 ARG 36 7.630 -19.484 9.300 1.00 20.35 ATOM 610 C ARG 36 1.712 -24.521 10.150 1.00 31.53 ATOM 611 O ARG 36 0.913 -24.565 9.216 1.00 4.25 ATOM 612 N LYS 37 2.002 -25.581 10.907 1.00 21.42 ATOM 613 HN LYS 37 2.691 -25.491 11.599 1.00 35.64 ATOM 614 CA LYS 37 1.327 -26.876 10.740 1.00 11.42 ATOM 615 HA LYS 37 1.486 -27.203 9.721 1.00 62.41 ATOM 616 CB LYS 37 1.953 -27.905 11.700 1.00 52.25 ATOM 617 HB1 LYS 37 1.819 -27.557 12.715 1.00 35.64 ATOM 618 HB2 LYS 37 3.012 -27.963 11.495 1.00 44.10 ATOM 619 CG LYS 37 1.379 -29.319 11.609 1.00 52.31 ATOM 620 HG1 LYS 37 2.178 -30.030 11.772 1.00 35.64 ATOM 621 HG2 LYS 37 0.967 -29.466 10.621 1.00 54.23 ATOM 622 CD LYS 37 0.279 -29.563 12.644 1.00 0.31 ATOM 623 HD1 LYS 37 -0.624 -29.063 12.322 1.00 35.64 ATOM 624 HD2 LYS 37 0.595 -29.158 13.596 1.00 53.02 ATOM 625 CE LYS 37 -0.006 -31.050 12.810 1.00 42.14 ATOM 626 HE1 LYS 37 0.925 -31.554 13.023 1.00 35.64 ATOM 627 HE2 LYS 37 -0.416 -31.430 11.887 1.00 75.32 ATOM 628 NZ LYS 37 -0.967 -31.327 13.913 1.00 20.42 ATOM 629 HZ1 LYS 37 -1.160 -32.348 13.970 1.00 2.33 ATOM 630 HZ2 LYS 37 -1.862 -30.830 13.751 1.00 34.30 ATOM 631 HZ3 LYS 37 -0.577 -31.014 14.827 1.00 0.21 ATOM 632 C LYS 37 -0.184 -26.737 10.982 1.00 35.23 ATOM 633 O LYS 37 -0.996 -27.393 10.331 1.00 23.05 ATOM 634 N ILE 38 -0.545 -25.871 11.922 1.00 61.30 ATOM 635 HN ILE 38 0.151 -25.437 12.459 1.00 35.64 ATOM 636 CA ILE 38 -1.950 -25.544 12.179 1.00 41.21 ATOM 637 HA ILE 38 -2.499 -26.471 12.284 1.00 71.25 ATOM 638 CB ILE 38 -2.105 -24.729 13.485 1.00 10.02 ATOM 639 HB ILE 38 -1.579 -23.794 13.356 1.00 22.43 ATOM 640 CG1 ILE 38 -1.479 -25.490 14.666 1.00 4.34 ATOM 641 HG11 ILE 38 -1.627 -24.922 15.573 1.00 35.64 ATOM 642 HG12 ILE 38 -0.419 -25.603 14.492 1.00 4.14 ATOM 643 CG2 ILE 38 -3.574 -24.404 13.758 1.00 15.31 ATOM 644 HG21 ILE 38 -3.982 -23.844 12.929 1.00 35.51 ATOM 645 HG22 ILE 38 -3.650 -23.815 14.660 1.00 22.10 ATOM 646 HG23 ILE 38 -4.132 -25.322 13.881 1.00 52.21 ATOM 647 CD1 ILE 38 -2.059 -26.874 14.886 1.00 51.44 ATOM 648 HD11 ILE 38 -1.564 -27.341 15.724 1.00 22.53 ATOM 649 HD12 ILE 38 -1.907 -27.474 14.000 1.00 42.23 ATOM 650 HD13 ILE 38 -3.116 -26.794 15.092 1.00 33.52 ATOM 651 C ILE 38 -2.543 -24.743 11.011 1.00 65.04 ATOM 652 O ILE 38 -3.643 -25.030 10.542 1.00 10.23 ATOM 653 N ALA 39 -1.796 -23.743 10.543 1.00 2.10 ATOM 654 HN ALA 39 -0.946 -23.540 10.988 1.00 35.64 ATOM 655 CA ALA 39 -2.209 -22.932 9.393 1.00 25.00 ATOM 656 HA ALA 39 -3.118 -22.409 9.664 1.00 30.12 ATOM 657 CB ALA 39 -1.141 -21.891 9.076 1.00 20.03 ATOM 658 HB1 ALA 39 -0.232 -22.389 8.770 1.00 43.13 ATOM 659 HB2 ALA 39 -0.944 -21.296 9.956 1.00 42.41 ATOM 660 HB3 ALA 39 -1.485 -21.249 8.278 1.00 42.32 ATOM 661 C ALA 39 -2.489 -23.806 8.159 1.00 21.14 ATOM 662 O ALA 39 -3.437 -23.555 7.414 1.00 13.32 ATOM 663 N GLU 40 -1.665 -24.837 7.959 1.00 33.22 ATOM 664 HN GLU 40 -0.910 -24.966 8.572 1.00 35.64 ATOM 665 CA GLU 40 -1.850 -25.782 6.848 1.00 54.13 ATOM 666 HA GLU 40 -1.818 -25.217 5.928 1.00 23.44 ATOM 667 CB GLU 40 -0.723 -26.823 6.829 1.00 12.32 ATOM 668 HB1 GLU 40 -0.930 -27.546 6.050 1.00 35.64 ATOM 669 HB2 GLU 40 -0.708 -27.334 7.782 1.00 22.42 ATOM 670 CG GLU 40 0.663 -26.238 6.578 1.00 23.30 ATOM 671 HG1 GLU 40 0.918 -25.581 7.399 1.00 35.64 ATOM 672 HG2 GLU 40 0.638 -25.668 5.660 1.00 72.01 ATOM 673 CD GLU 40 1.733 -27.310 6.460 1.00 5.05 ATOM 674 OE1 GLU 40 2.293 -27.721 7.495 1.00 4.45 ATOM 675 OE2 GLU 40 2.009 -27.760 5.326 1.00 34.52 ATOM 676 C GLU 40 -3.206 -26.498 6.936 1.00 15.41 ATOM 677 O GLU 40 -3.779 -26.893 5.920 1.00 51.45 ATOM 678 N LEU 41 -3.718 -26.656 8.156 1.00 24.33 ATOM 679 HN LEU 41 -3.212 -26.321 8.929 1.00 35.64 ATOM 680 CA LEU 41 -5.011 -27.321 8.380 1.00 40.23 ATOM 681 HA LEU 41 -5.053 -28.187 7.736 1.00 44.11 ATOM 682 CB LEU 41 -5.117 -27.787 9.839 1.00 62.22 ATOM 683 HB1 LEU 41 -6.038 -28.342 9.954 1.00 35.64 ATOM 684 HB2 LEU 41 -5.166 -26.910 10.472 1.00 61.45 ATOM 685 CG LEU 41 -3.958 -28.673 10.329 1.00 24.30 ATOM 686 HG LEU 41 -3.041 -28.099 10.291 1.00 52.52 ATOM 687 CD1 LEU 41 -4.173 -29.101 11.778 1.00 12.32 ATOM 688 HD11 LEU 41 -3.354 -29.731 12.096 1.00 74.45 ATOM 689 HD12 LEU 41 -5.101 -29.649 11.861 1.00 44.41 ATOM 690 HD13 LEU 41 -4.216 -28.225 12.410 1.00 54.11 ATOM 691 CD2 LEU 41 -3.783 -29.891 9.423 1.00 52.24 ATOM 692 HD21 LEU 41 -3.551 -29.565 8.419 1.00 63.34 ATOM 693 HD22 LEU 41 -4.697 -30.469 9.411 1.00 64.41 ATOM 694 HD23 LEU 41 -2.976 -30.505 9.794 1.00 12.35 ATOM 695 C LEU 41 -6.192 -26.400 8.030 1.00 32.31 ATOM 696 O LEU 41 -7.351 -26.817 8.082 1.00 1.10 ATOM 697 N MET 42 -5.883 -25.152 7.678 1.00 61.23 ATOM 698 HN MET 42 -4.943 -24.879 7.706 1.00 35.64 ATOM 699 CA MET 42 -6.893 -24.167 7.263 1.00 25.11 ATOM 700 HA MET 42 -7.866 -24.526 7.570 1.00 54.31 ATOM 701 CB MET 42 -6.612 -22.821 7.951 1.00 60.31 ATOM 702 HB1 MET 42 -7.404 -22.129 7.702 1.00 35.64 ATOM 703 HB2 MET 42 -5.676 -22.429 7.579 1.00 3.22 ATOM 704 CG MET 42 -6.521 -22.917 9.469 1.00 51.52 ATOM 705 HG1 MET 42 -6.101 -21.999 9.853 1.00 35.64 ATOM 706 HG2 MET 42 -5.872 -23.741 9.728 1.00 60.11 ATOM 707 SD MET 42 -8.123 -23.186 10.248 1.00 40.05 ATOM 708 CE MET 42 -8.926 -21.623 9.909 1.00 21.11 ATOM 709 HE1 MET 42 -9.010 -21.485 8.840 1.00 74.12 ATOM 710 HE2 MET 42 -8.339 -20.820 10.329 1.00 2.44 ATOM 711 HE3 MET 42 -9.911 -21.618 10.352 1.00 51.53 ATOM 712 C MET 42 -6.884 -23.988 5.728 1.00 25.21 ATOM 713 O MET 42 -6.192 -23.112 5.202 1.00 74.20 ATOM 714 N PRO 43 -7.640 -24.828 4.988 1.00 55.51 ATOM 715 CA PRO 43 -7.619 -24.832 3.510 1.00 25.31 ATOM 716 HA PRO 43 -6.604 -24.796 3.135 1.00 23.14 ATOM 717 CB PRO 43 -8.229 -26.196 3.175 1.00 63.35 ATOM 718 HB1 PRO 43 -7.449 -26.945 3.140 1.00 35.64 ATOM 719 HB2 PRO 43 -8.733 -26.151 2.218 1.00 53.25 ATOM 720 CG PRO 43 -9.185 -26.458 4.290 1.00 63.21 ATOM 721 HG1 PRO 43 -9.316 -27.524 4.420 1.00 35.64 ATOM 722 HG2 PRO 43 -10.136 -25.989 4.077 1.00 71.31 ATOM 723 CD PRO 43 -8.566 -25.850 5.525 1.00 24.04 ATOM 724 HD1 PRO 43 -8.026 -26.602 6.085 1.00 35.64 ATOM 725 HD2 PRO 43 -9.325 -25.396 6.144 1.00 4.21 ATOM 726 C PRO 43 -8.433 -23.694 2.859 1.00 30.31 ATOM 727 O PRO 43 -8.172 -23.316 1.715 1.00 33.11 ATOM 728 N GLY 44 -9.415 -23.153 3.577 1.00 3.01 ATOM 729 HN GLY 44 -9.577 -23.475 4.486 1.00 35.64 ATOM 730 CA GLY 44 -10.251 -22.090 3.015 1.00 45.01 ATOM 731 HA1 GLY 44 -10.992 -22.539 2.370 1.00 35.64 ATOM 732 HA2 GLY 44 -9.630 -21.433 2.421 1.00 44.15 ATOM 733 C GLY 44 -10.967 -21.255 4.072 1.00 33.42 ATOM 734 O GLY 44 -12.110 -21.540 4.428 1.00 12.23 ATOM 735 N ALA 45 -10.309 -20.202 4.553 1.00 42.44 ATOM 736 HN ALA 45 -9.430 -19.978 4.179 1.00 35.64 ATOM 737 CA ALA 45 -10.871 -19.356 5.613 1.00 12.32 ATOM 738 HA ALA 45 -11.935 -19.269 5.441 1.00 63.14 ATOM 739 CB ALA 45 -10.663 -20.021 6.972 1.00 50.15 ATOM 740 HB1 ALA 45 -9.605 -20.132 7.161 1.00 31.42 ATOM 741 HB2 ALA 45 -11.132 -20.994 6.974 1.00 34.13 ATOM 742 HB3 ALA 45 -11.103 -19.409 7.746 1.00 63.31 ATOM 743 C ALA 45 -10.255 -17.946 5.609 1.00 50.12 ATOM 744 O ALA 45 -9.423 -17.615 4.762 1.00 21.32 ATOM 745 N SER 46 -10.679 -17.118 6.565 1.00 35.23 ATOM 746 HN SER 46 -11.366 -17.433 7.190 1.00 35.64 ATOM 747 CA SER 46 -10.160 -15.748 6.706 1.00 2.11 ATOM 748 HA SER 46 -9.237 -15.680 6.145 1.00 33.20 ATOM 749 CB SER 46 -11.163 -14.731 6.140 1.00 63.12 ATOM 750 HB1 SER 46 -11.428 -15.012 5.132 1.00 35.64 ATOM 751 HB2 SER 46 -10.714 -13.748 6.133 1.00 71.40 ATOM 752 OG SER 46 -12.349 -14.682 6.925 1.00 0.03 ATOM 753 HG SER 46 -12.801 -15.537 6.878 1.00 12.51 ATOM 754 C SER 46 -9.864 -15.410 8.177 1.00 72.13 ATOM 755 O SER 46 -10.028 -16.250 9.067 1.00 43.42 ATOM 756 N GLY 47 -9.447 -14.163 8.424 1.00 54.32 ATOM 757 HN GLY 47 -9.371 -13.533 7.676 1.00 35.64 ATOM 758 CA GLY 47 -9.086 -13.723 9.773 1.00 4.33 ATOM 759 HA1 GLY 47 -8.920 -12.655 9.750 1.00 35.64 ATOM 760 HA2 GLY 47 -8.162 -14.205 10.054 1.00 1.10 ATOM 761 C GLY 47 -10.137 -14.029 10.844 1.00 23.12 ATOM 762 O GLY 47 -9.789 -14.360 11.981 1.00 23.33 ATOM 763 N ALA 48 -11.418 -13.920 10.494 1.00 33.32 ATOM 764 HN ALA 48 -11.642 -13.653 9.578 1.00 35.64 ATOM 765 CA ALA 48 -12.503 -14.182 11.452 1.00 3.43 ATOM 766 HA ALA 48 -12.352 -13.533 12.305 1.00 4.43 ATOM 767 CB ALA 48 -13.850 -13.830 10.830 1.00 1.25 ATOM 768 HB1 ALA 48 -13.826 -12.812 10.469 1.00 14.14 ATOM 769 HB2 ALA 48 -14.629 -13.928 11.574 1.00 4.42 ATOM 770 HB3 ALA 48 -14.053 -14.500 10.007 1.00 14.52 ATOM 771 C ALA 48 -12.499 -15.643 11.938 1.00 34.12 ATOM 772 O ALA 48 -12.594 -15.911 13.139 1.00 43.42 ATOM 773 N GLU 49 -12.385 -16.588 11.002 1.00 71.03 ATOM 774 HN GLU 49 -12.348 -16.321 10.059 1.00 35.64 ATOM 775 CA GLU 49 -12.323 -18.015 11.347 1.00 65.12 ATOM 776 HA GLU 49 -13.191 -18.245 11.949 1.00 1.35 ATOM 777 CB GLU 49 -12.349 -18.892 10.082 1.00 42.01 ATOM 778 HB1 GLU 49 -12.175 -19.921 10.370 1.00 35.64 ATOM 779 HB2 GLU 49 -11.548 -18.577 9.428 1.00 60.34 ATOM 780 CG GLU 49 -13.656 -18.835 9.289 1.00 24.41 ATOM 781 HG1 GLU 49 -14.481 -19.006 9.968 1.00 35.64 ATOM 782 HG2 GLU 49 -13.643 -19.621 8.546 1.00 32.04 ATOM 783 CD GLU 49 -13.874 -17.507 8.580 1.00 4.25 ATOM 784 OE1 GLU 49 -14.542 -16.621 9.149 1.00 44.42 ATOM 785 OE2 GLU 49 -13.371 -17.340 7.449 1.00 44.12 ATOM 786 C GLU 49 -11.064 -18.330 12.165 1.00 71.45 ATOM 787 O GLU 49 -11.117 -19.054 13.161 1.00 0.41 ATOM 788 N VAL 50 -9.932 -17.772 11.737 1.00 75.33 ATOM 789 HN VAL 50 -9.951 -17.231 10.918 1.00 35.64 ATOM 790 CA VAL 50 -8.661 -17.950 12.447 1.00 3.22 ATOM 791 HA VAL 50 -8.448 -19.011 12.479 1.00 41.44 ATOM 792 CB VAL 50 -7.499 -17.245 11.702 1.00 1.34 ATOM 793 HB VAL 50 -7.714 -16.184 11.667 1.00 23.42 ATOM 794 CG1 VAL 50 -6.177 -17.436 12.444 1.00 3.41 ATOM 795 HG11 VAL 50 -5.960 -18.492 12.533 1.00 35.30 ATOM 796 HG12 VAL 50 -6.249 -17.001 13.430 1.00 2.32 ATOM 797 HG13 VAL 50 -5.379 -16.951 11.897 1.00 51.33 ATOM 798 CG2 VAL 50 -7.392 -17.753 10.263 1.00 2.54 ATOM 799 HG21 VAL 50 -6.592 -17.234 9.755 1.00 41.11 ATOM 800 HG22 VAL 50 -8.323 -17.571 9.745 1.00 42.01 ATOM 801 HG23 VAL 50 -7.186 -18.815 10.266 1.00 41.41 ATOM 802 C VAL 50 -8.746 -17.420 13.893 1.00 15.25 ATOM 803 O VAL 50 -8.192 -18.018 14.822 1.00 45.13 ATOM 804 N LYS 51 -9.448 -16.300 14.077 1.00 44.41 ATOM 805 HN LYS 51 -9.818 -15.836 13.295 1.00 35.64 ATOM 806 CA LYS 51 -9.683 -15.745 15.416 1.00 2.14 ATOM 807 HA LYS 51 -8.721 -15.560 15.874 1.00 72.11 ATOM 808 CB LYS 51 -10.451 -14.420 15.314 1.00 13.51 ATOM 809 HB1 LYS 51 -11.379 -14.597 14.788 1.00 35.64 ATOM 810 HB2 LYS 51 -9.857 -13.715 14.748 1.00 33.21 ATOM 811 CG LYS 51 -10.778 -13.790 16.668 1.00 63.44 ATOM 812 HG1 LYS 51 -9.856 -13.624 17.207 1.00 35.64 ATOM 813 HG2 LYS 51 -11.406 -14.468 17.229 1.00 3.20 ATOM 814 CD LYS 51 -11.505 -12.457 16.514 1.00 62.24 ATOM 815 HD1 LYS 51 -10.877 -11.779 15.953 1.00 35.64 ATOM 816 HD2 LYS 51 -11.691 -12.046 17.496 1.00 53.52 ATOM 817 CE LYS 51 -12.837 -12.613 15.787 1.00 43.22 ATOM 818 HE1 LYS 51 -13.472 -13.274 16.359 1.00 35.64 ATOM 819 HE2 LYS 51 -12.654 -13.046 14.814 1.00 53.31 ATOM 820 NZ LYS 51 -13.530 -11.310 15.607 1.00 43.54 ATOM 821 HZ1 LYS 51 -12.961 -10.682 15.005 1.00 21.55 ATOM 822 HZ2 LYS 51 -13.679 -10.850 16.527 1.00 62.23 ATOM 823 HZ3 LYS 51 -14.455 -11.460 15.153 1.00 74.24 ATOM 824 C LYS 51 -10.465 -16.739 16.287 1.00 64.10 ATOM 825 O LYS 51 -10.167 -16.921 17.473 1.00 32.23 ATOM 826 N GLY 52 -11.466 -17.381 15.686 1.00 15.33 ATOM 827 HN GLY 52 -11.691 -17.152 14.759 1.00 35.64 ATOM 828 CA GLY 52 -12.226 -18.413 16.381 1.00 41.43 ATOM 829 HA1 GLY 52 -12.974 -18.807 15.709 1.00 35.64 ATOM 830 HA2 GLY 52 -12.721 -17.972 17.234 1.00 22.35 ATOM 831 C GLY 52 -11.342 -19.559 16.860 1.00 52.34 ATOM 832 O GLY 52 -11.387 -19.941 18.030 1.00 71.12 ATOM 833 N VAL 53 -10.519 -20.088 15.951 1.00 64.30 ATOM 834 HN VAL 53 -10.558 -19.754 15.029 1.00 35.64 ATOM 835 CA VAL 53 -9.569 -21.162 16.279 1.00 33.32 ATOM 836 HA VAL 53 -10.141 -22.043 16.537 1.00 33.02 ATOM 837 CB VAL 53 -8.671 -21.503 15.060 1.00 55.21 ATOM 838 HB VAL 53 -8.157 -20.600 14.758 1.00 3.22 ATOM 839 CG1 VAL 53 -7.614 -22.547 15.423 1.00 71.13 ATOM 840 HG11 VAL 53 -6.992 -22.172 16.223 1.00 40.44 ATOM 841 HG12 VAL 53 -6.998 -22.753 14.559 1.00 3.02 ATOM 842 HG13 VAL 53 -8.100 -23.458 15.742 1.00 64.32 ATOM 843 CG2 VAL 53 -9.518 -21.981 13.881 1.00 21.32 ATOM 844 HG21 VAL 53 -10.056 -22.875 14.161 1.00 31.44 ATOM 845 HG22 VAL 53 -8.877 -22.197 13.038 1.00 2.45 ATOM 846 HG23 VAL 53 -10.223 -21.209 13.606 1.00 35.12 ATOM 847 C VAL 53 -8.676 -20.779 17.473 1.00 52.23 ATOM 848 O VAL 53 -8.498 -21.563 18.409 1.00 55.02 ATOM 849 N CYS 54 -8.127 -19.564 17.432 1.00 4.42 ATOM 850 HN CYS 54 -8.295 -18.994 16.651 1.00 35.64 ATOM 851 CA CYS 54 -7.273 -19.059 18.517 1.00 64.00 ATOM 852 HA CYS 54 -6.447 -19.748 18.631 1.00 21.42 ATOM 853 CB CYS 54 -6.716 -17.676 18.158 1.00 13.43 ATOM 854 HB1 CYS 54 -6.105 -17.316 18.976 1.00 35.64 ATOM 855 HB2 CYS 54 -7.539 -16.993 18.006 1.00 0.45 ATOM 856 SG CYS 54 -5.701 -17.650 16.660 1.00 72.04 ATOM 857 HG CYS 54 -6.379 -18.257 15.696 1.00 53.24 ATOM 858 C CYS 54 -8.038 -18.983 19.846 1.00 22.11 ATOM 859 O CYS 54 -7.491 -19.281 20.909 1.00 14.15 ATOM 860 N THR 55 -9.308 -18.584 19.776 1.00 54.10 ATOM 861 HN THR 55 -9.683 -18.348 18.902 1.00 35.64 ATOM 862 CA THR 55 -10.161 -18.495 20.970 1.00 33.22 ATOM 863 HA THR 55 -9.639 -17.898 21.708 1.00 2.00 ATOM 864 CB THR 55 -11.514 -17.806 20.657 1.00 21.23 ATOM 865 HB THR 55 -12.037 -18.393 19.914 1.00 71.14 ATOM 866 OG1 THR 55 -11.290 -16.488 20.131 1.00 53.31 ATOM 867 HG1 THR 55 -10.804 -16.552 19.299 1.00 30.33 ATOM 868 CG2 THR 55 -12.391 -17.710 21.906 1.00 24.11 ATOM 869 HG21 THR 55 -11.884 -17.121 22.658 1.00 22.31 ATOM 870 HG22 THR 55 -12.580 -18.700 22.293 1.00 1.52 ATOM 871 HG23 THR 55 -13.329 -17.239 21.652 1.00 41.01 ATOM 872 C THR 55 -10.437 -19.885 21.559 1.00 4.01 ATOM 873 O THR 55 -10.356 -20.085 22.774 1.00 72.41 ATOM 874 N GLU 56 -10.756 -20.842 20.686 1.00 41.21 ATOM 875 HN GLU 56 -10.828 -20.612 19.735 1.00 35.64 ATOM 876 CA GLU 56 -11.007 -22.228 21.100 1.00 1.42 ATOM 877 HA GLU 56 -11.889 -22.238 21.723 1.00 21.51 ATOM 878 CB GLU 56 -11.246 -23.118 19.869 1.00 3.54 ATOM 879 HB1 GLU 56 -11.424 -24.131 20.205 1.00 35.64 ATOM 880 HB2 GLU 56 -10.352 -23.109 19.261 1.00 5.13 ATOM 881 CG GLU 56 -12.418 -22.697 18.987 1.00 2.33 ATOM 882 HG1 GLU 56 -12.395 -23.285 18.080 1.00 35.64 ATOM 883 HG2 GLU 56 -12.301 -21.652 18.732 1.00 51.23 ATOM 884 CD GLU 56 -13.771 -22.887 19.653 1.00 33.54 ATOM 885 OE1 GLU 56 -14.200 -24.049 19.811 1.00 15.02 ATOM 886 OE2 GLU 56 -14.421 -21.877 19.995 1.00 10.23 ATOM 887 C GLU 56 -9.818 -22.785 21.899 1.00 35.33 ATOM 888 O GLU 56 -9.986 -23.308 23.002 1.00 63.12 ATOM 889 N ALA 57 -8.618 -22.650 21.330 1.00 74.02 ATOM 890 HN ALA 57 -8.560 -22.227 20.446 1.00 35.64 ATOM 891 CA ALA 57 -7.385 -23.119 21.974 1.00 34.54 ATOM 892 HA ALA 57 -7.439 -24.198 22.045 1.00 10.42 ATOM 893 CB ALA 57 -6.180 -22.762 21.111 1.00 61.04 ATOM 894 HB1 ALA 57 -5.285 -23.181 21.549 1.00 24.41 ATOM 895 HB2 ALA 57 -6.082 -21.687 21.053 1.00 1.13 ATOM 896 HB3 ALA 57 -6.315 -23.164 20.116 1.00 61.11 ATOM 897 C ALA 57 -7.220 -22.535 23.387 1.00 5.32 ATOM 898 O ALA 57 -6.920 -23.260 24.340 1.00 31.43 ATOM 899 N GLY 58 -7.425 -21.222 23.516 1.00 45.22 ATOM 900 HN GLY 58 -7.618 -20.686 22.715 1.00 35.64 ATOM 901 CA GLY 58 -7.359 -20.575 24.825 1.00 55.30 ATOM 902 HA1 GLY 58 -7.562 -19.520 24.702 1.00 35.64 ATOM 903 HA2 GLY 58 -6.359 -20.691 25.221 1.00 22.23 ATOM 904 C GLY 58 -8.358 -21.155 25.824 1.00 0.32 ATOM 905 O GLY 58 -8.042 -21.335 27.003 1.00 42.15 ATOM 906 N MET 59 -9.564 -21.464 25.347 1.00 10.51 ATOM 907 HN MET 59 -9.760 -21.284 24.401 1.00 35.64 ATOM 908 CA MET 59 -10.604 -22.070 26.189 1.00 11.34 ATOM 909 HA MET 59 -10.767 -21.416 27.034 1.00 45.14 ATOM 910 CB MET 59 -11.917 -22.205 25.399 1.00 11.32 ATOM 911 HB1 MET 59 -12.638 -22.729 26.013 1.00 35.64 ATOM 912 HB2 MET 59 -11.727 -22.793 24.512 1.00 74.41 ATOM 913 CG MET 59 -12.541 -20.878 24.963 1.00 61.21 ATOM 914 HG1 MET 59 -13.062 -21.034 24.028 1.00 35.64 ATOM 915 HG2 MET 59 -11.751 -20.158 24.811 1.00 11.43 ATOM 916 SD MET 59 -13.712 -20.197 26.165 1.00 52.33 ATOM 917 CE MET 59 -12.647 -19.767 27.542 1.00 0.40 ATOM 918 HE1 MET 59 -12.175 -20.659 27.924 1.00 54.52 ATOM 919 HE2 MET 59 -13.235 -19.310 28.323 1.00 32.32 ATOM 920 HE3 MET 59 -11.890 -19.073 27.208 1.00 63.55 ATOM 921 C MET 59 -10.173 -23.452 26.710 1.00 1.21 ATOM 922 O MET 59 -10.367 -23.775 27.886 1.00 32.13 ATOM 923 N TYR 60 -9.584 -24.260 25.828 1.00 34.31 ATOM 924 HN TYR 60 -9.420 -23.930 24.916 1.00 35.64 ATOM 925 CA TYR 60 -9.178 -25.630 26.175 1.00 62.51 ATOM 926 HA TYR 60 -10.034 -26.114 26.622 1.00 73.43 ATOM 927 CB TYR 60 -8.787 -26.405 24.907 1.00 25.35 ATOM 928 HB1 TYR 60 -8.600 -27.438 25.166 1.00 35.64 ATOM 929 HB2 TYR 60 -7.887 -25.974 24.490 1.00 4.40 ATOM 930 CG TYR 60 -9.861 -26.378 23.831 1.00 3.22 ATOM 931 CD1 TYR 60 -9.530 -26.436 22.480 1.00 44.22 ATOM 932 HD1 TYR 60 -8.492 -26.532 22.196 1.00 51.21 ATOM 933 CD2 TYR 60 -11.207 -26.260 24.168 1.00 22.32 ATOM 934 HD2 TYR 60 -11.486 -26.216 25.210 1.00 43.25 ATOM 935 CE1 TYR 60 -10.505 -26.377 21.503 1.00 61.43 ATOM 936 HE1 TYR 60 -10.227 -26.424 20.460 1.00 15.50 ATOM 937 CE2 TYR 60 -12.185 -26.208 23.195 1.00 31.20 ATOM 938 HE2 TYR 60 -13.224 -26.117 23.479 1.00 41.21 ATOM 939 CZ TYR 60 -11.829 -26.263 21.867 1.00 20.04 ATOM 940 OH TYR 60 -12.800 -26.187 20.899 1.00 42.03 ATOM 941 HH TYR 60 -13.374 -25.429 21.083 1.00 61.04 ATOM 942 C TYR 60 -8.030 -25.642 27.199 1.00 2.23 ATOM 943 O TYR 60 -7.967 -26.517 28.065 1.00 11.32 ATOM 944 N ALA 61 -7.135 -24.662 27.107 1.00 3.45 ATOM 945 HN ALA 61 -7.195 -24.031 26.356 1.00 35.64 ATOM 946 CA ALA 61 -6.051 -24.515 28.085 1.00 1.13 ATOM 947 HA ALA 61 -5.541 -25.467 28.162 1.00 10.32 ATOM 948 CB ALA 61 -5.043 -23.479 27.601 1.00 14.35 ATOM 949 HB1 ALA 61 -4.237 -23.396 28.317 1.00 22.31 ATOM 950 HB2 ALA 61 -5.530 -22.520 27.495 1.00 0.05 ATOM 951 HB3 ALA 61 -4.643 -23.787 26.646 1.00 11.13 ATOM 952 C ALA 61 -6.592 -24.128 29.474 1.00 74.22 ATOM 953 O ALA 61 -6.220 -24.725 30.487 1.00 13.24 ATOM 954 N LEU 62 -7.489 -23.139 29.509 1.00 15.22 ATOM 955 HN LEU 62 -7.776 -22.729 28.663 1.00 35.64 ATOM 956 CA LEU 62 -8.054 -22.635 30.773 1.00 21.40 ATOM 957 HA LEU 62 -7.226 -22.334 31.399 1.00 54.50 ATOM 958 CB LEU 62 -8.936 -21.404 30.507 1.00 64.51 ATOM 959 HB1 LEU 62 -9.421 -21.126 31.433 1.00 35.64 ATOM 960 HB2 LEU 62 -9.699 -21.686 29.795 1.00 24.34 ATOM 961 CG LEU 62 -8.201 -20.169 29.960 1.00 41.04 ATOM 962 HG LEU 62 -7.742 -20.424 29.015 1.00 74.31 ATOM 963 CD1 LEU 62 -9.179 -19.024 29.705 1.00 1.33 ATOM 964 HD11 LEU 62 -9.636 -18.722 30.637 1.00 10.24 ATOM 965 HD12 LEU 62 -9.945 -19.350 29.018 1.00 1.32 ATOM 966 HD13 LEU 62 -8.648 -18.186 29.277 1.00 73.22 ATOM 967 CD2 LEU 62 -7.092 -19.732 30.916 1.00 30.43 ATOM 968 HD21 LEU 62 -7.518 -19.491 31.880 1.00 31.23 ATOM 969 HD22 LEU 62 -6.594 -18.860 30.516 1.00 2.14 ATOM 970 HD23 LEU 62 -6.376 -20.532 31.028 1.00 12.21 ATOM 971 C LEU 62 -8.867 -23.704 31.526 1.00 70.44 ATOM 972 O LEU 62 -8.730 -23.855 32.742 1.00 52.22 ATOM 973 N ARG 63 -9.714 -24.445 30.812 1.00 53.33 ATOM 974 HN ARG 63 -9.779 -24.301 29.842 1.00 35.64 ATOM 975 CA ARG 63 -10.564 -25.462 31.454 1.00 73.44 ATOM 976 HA ARG 63 -11.052 -24.982 32.292 1.00 11.21 ATOM 977 CB ARG 63 -11.647 -25.949 30.484 1.00 33.44 ATOM 978 HB1 ARG 63 -12.275 -25.109 30.224 1.00 35.64 ATOM 979 HB2 ARG 63 -12.251 -26.690 30.985 1.00 52.14 ATOM 980 CG ARG 63 -11.113 -26.562 29.194 1.00 54.55 ATOM 981 HG1 ARG 63 -10.698 -27.536 29.412 1.00 35.64 ATOM 982 HG2 ARG 63 -10.339 -25.921 28.795 1.00 13.35 ATOM 983 CD ARG 63 -12.216 -26.712 28.152 1.00 30.52 ATOM 984 HD1 ARG 63 -12.943 -27.428 28.509 1.00 35.64 ATOM 985 HD2 ARG 63 -11.779 -27.071 27.231 1.00 24.30 ATOM 986 NE ARG 63 -12.886 -25.437 27.899 1.00 42.53 ATOM 987 HE ARG 63 -12.531 -24.644 28.350 1.00 74.24 ATOM 988 CZ ARG 63 -13.934 -25.288 27.139 1.00 14.34 ATOM 989 NH1 ARG 63 -14.433 -26.290 26.494 1.00 44.13 ATOM 990 HH11 ARG 63 -14.013 -27.191 26.568 1.00 3.33 ATOM 991 HH12 ARG 63 -15.248 -26.161 25.928 1.00 24.12 ATOM 992 NH2 ARG 63 -14.482 -24.125 27.024 1.00 33.12 ATOM 993 HH21 ARG 63 -14.103 -23.347 27.518 1.00 53.51 ATOM 994 HH22 ARG 63 -15.280 -24.010 26.434 1.00 10.24 ATOM 995 C ARG 63 -9.747 -26.649 31.993 1.00 3.02 ATOM 996 O ARG 63 -10.222 -27.412 32.834 1.00 34.45 ATOM 997 N GLU 64 -8.522 -26.803 31.501 1.00 44.15 ATOM 998 HN GLU 64 -8.230 -26.226 30.761 1.00 35.64 ATOM 999 CA GLU 64 -7.598 -27.821 32.017 1.00 44.24 ATOM 1000 HA GLU 64 -8.180 -28.570 32.539 1.00 32.24 ATOM 1001 CB GLU 64 -6.856 -28.489 30.856 1.00 24.43 ATOM 1002 HB1 GLU 64 -6.083 -29.130 31.257 1.00 35.64 ATOM 1003 HB2 GLU 64 -6.392 -27.721 30.250 1.00 43.51 ATOM 1004 CG GLU 64 -7.752 -29.329 29.954 1.00 63.32 ATOM 1005 HG1 GLU 64 -8.537 -28.700 29.557 1.00 35.64 ATOM 1006 HG2 GLU 64 -8.193 -30.124 30.541 1.00 74.52 ATOM 1007 CD GLU 64 -6.988 -29.946 28.801 1.00 4.24 ATOM 1008 OE1 GLU 64 -7.326 -29.664 27.635 1.00 21.31 ATOM 1009 OE2 GLU 64 -6.020 -30.694 29.059 1.00 71.00 ATOM 1010 C GLU 64 -6.591 -27.209 33.005 1.00 33.43 ATOM 1011 O GLU 64 -5.683 -27.889 33.487 1.00 44.45 ATOM 1012 N ARG 65 -6.766 -25.917 33.298 1.00 33.34 ATOM 1013 HN ARG 65 -7.514 -25.439 32.879 1.00 35.64 ATOM 1014 CA ARG 65 -5.886 -25.181 34.220 1.00 4.22 ATOM 1015 HA ARG 65 -6.224 -24.153 34.226 1.00 75.41 ATOM 1016 CB ARG 65 -6.002 -25.738 35.654 1.00 52.24 ATOM 1017 HB1 ARG 65 -5.218 -25.303 36.260 1.00 35.64 ATOM 1018 HB2 ARG 65 -5.861 -26.810 35.623 1.00 34.31 ATOM 1019 CG ARG 65 -7.346 -25.449 36.334 1.00 51.41 ATOM 1020 HG1 ARG 65 -7.557 -24.392 36.246 1.00 35.64 ATOM 1021 HG2 ARG 65 -7.271 -25.711 37.379 1.00 60.01 ATOM 1022 CD ARG 65 -8.501 -26.234 35.714 1.00 51.02 ATOM 1023 HD1 ARG 65 -8.330 -27.289 35.880 1.00 35.64 ATOM 1024 HD2 ARG 65 -8.525 -26.041 34.651 1.00 15.33 ATOM 1025 NE ARG 65 -9.796 -25.868 36.286 1.00 33.13 ATOM 1026 HE ARG 65 -9.850 -25.029 36.789 1.00 54.31 ATOM 1027 CZ ARG 65 -10.881 -26.582 36.154 1.00 23.51 ATOM 1028 NH1 ARG 65 -10.856 -27.710 35.516 1.00 22.43 ATOM 1029 HH11 ARG 65 -10.001 -28.042 35.123 1.00 50.44 ATOM 1030 HH12 ARG 65 -11.691 -28.251 35.428 1.00 63.53 ATOM 1031 NH2 ARG 65 -11.994 -26.166 36.664 1.00 22.35 ATOM 1032 HH21 ARG 65 -12.019 -25.303 37.163 1.00 75.23 ATOM 1033 HH22 ARG 65 -12.825 -26.710 36.557 1.00 10.13 ATOM 1034 C ARG 65 -4.420 -25.194 33.750 1.00 54.13 ATOM 1035 O ARG 65 -3.498 -25.027 34.550 1.00 51.44 ATOM 1036 N ARG 66 -4.216 -25.368 32.444 1.00 35.22 ATOM 1037 HN ARG 66 -4.989 -25.498 31.855 1.00 35.64 ATOM 1038 CA ARG 66 -2.872 -25.354 31.860 1.00 20.54 ATOM 1039 HA ARG 66 -2.214 -25.870 32.546 1.00 64.55 ATOM 1040 CB ARG 66 -2.861 -26.099 30.513 1.00 62.03 ATOM 1041 HB1 ARG 66 -1.964 -25.831 29.973 1.00 35.64 ATOM 1042 HB2 ARG 66 -3.723 -25.789 29.935 1.00 10.13 ATOM 1043 CG ARG 66 -2.899 -27.621 30.653 1.00 53.23 ATOM 1044 HG1 ARG 66 -3.823 -27.904 31.140 1.00 35.64 ATOM 1045 HG2 ARG 66 -2.064 -27.934 31.262 1.00 4.31 ATOM 1046 CD ARG 66 -2.813 -28.330 29.302 1.00 24.30 ATOM 1047 HD1 ARG 66 -2.535 -29.361 29.472 1.00 35.64 ATOM 1048 HD2 ARG 66 -2.049 -27.851 28.705 1.00 61.23 ATOM 1049 NE ARG 66 -4.080 -28.302 28.567 1.00 32.12 ATOM 1050 HE ARG 66 -4.864 -28.676 29.013 1.00 53.24 ATOM 1051 CZ ARG 66 -4.225 -27.860 27.345 1.00 2.15 ATOM 1052 NH1 ARG 66 -3.237 -27.312 26.712 1.00 44.40 ATOM 1053 HH11 ARG 66 -2.354 -27.212 27.156 1.00 24.33 ATOM 1054 HH12 ARG 66 -3.368 -26.996 25.771 1.00 32.04 ATOM 1055 NH2 ARG 66 -5.370 -27.958 26.757 1.00 42.23 ATOM 1056 HH21 ARG 66 -6.148 -28.365 27.236 1.00 74.42 ATOM 1057 HH22 ARG 66 -5.478 -27.631 25.818 1.00 41.43 ATOM 1058 C ARG 66 -2.357 -23.917 31.683 1.00 4.24 ATOM 1059 O ARG 66 -3.113 -23.011 31.331 1.00 45.23 ATOM 1060 N VAL 67 -1.064 -23.720 31.933 1.00 64.35 ATOM 1061 HN VAL 67 -0.510 -24.487 32.194 1.00 35.64 ATOM 1062 CA VAL 67 -0.444 -22.392 31.837 1.00 22.31 ATOM 1063 HA VAL 67 -1.169 -21.663 32.171 1.00 43.41 ATOM 1064 CB VAL 67 0.801 -22.294 32.761 1.00 63.43 ATOM 1065 HB VAL 67 1.544 -22.993 32.400 1.00 1.24 ATOM 1066 CG1 VAL 67 1.417 -20.892 32.724 1.00 5.20 ATOM 1067 HG11 VAL 67 2.277 -20.859 33.377 1.00 1.22 ATOM 1068 HG12 VAL 67 0.687 -20.167 33.054 1.00 43.42 ATOM 1069 HG13 VAL 67 1.723 -20.659 31.714 1.00 73.32 ATOM 1070 CG2 VAL 67 0.438 -22.689 34.193 1.00 55.04 ATOM 1071 HG21 VAL 67 0.053 -23.699 34.202 1.00 71.23 ATOM 1072 HG22 VAL 67 -0.316 -22.015 34.576 1.00 41.32 ATOM 1073 HG23 VAL 67 1.317 -22.636 34.819 1.00 21.32 ATOM 1074 C VAL 67 -0.039 -22.055 30.389 1.00 24.12 ATOM 1075 O VAL 67 0.085 -20.886 30.025 1.00 24.12 ATOM 1076 N HIS 68 0.166 -23.083 29.564 1.00 10.40 ATOM 1077 HN HIS 68 0.051 -23.999 29.904 1.00 35.64 ATOM 1078 CA HIS 68 0.547 -22.878 28.159 1.00 65.11 ATOM 1079 HA HIS 68 0.332 -21.844 27.917 1.00 74.11 ATOM 1080 CB HIS 68 2.056 -23.110 27.966 1.00 71.34 ATOM 1081 HB1 HIS 68 2.596 -22.297 28.432 1.00 35.64 ATOM 1082 HB2 HIS 68 2.279 -23.116 26.909 1.00 72.32 ATOM 1083 CG HIS 68 2.570 -24.395 28.545 1.00 24.12 ATOM 1084 ND1 HIS 68 3.348 -24.443 29.682 1.00 71.35 ATOM 1085 HD1 HIS 68 3.629 -23.668 30.217 1.00 42.31 ATOM 1086 CD2 HIS 68 2.441 -25.681 28.132 1.00 74.43 ATOM 1087 HD2 HIS 68 1.887 -26.027 27.271 1.00 40.33 ATOM 1088 CE1 HIS 68 3.674 -25.691 29.941 1.00 11.32 ATOM 1089 HE1 HIS 68 4.276 -26.025 30.773 1.00 2.21 ATOM 1090 NE2 HIS 68 3.138 -26.460 29.019 1.00 13.14 ATOM 1091 HE2 HIS 68 3.294 -27.427 28.932 1.00 35.64 ATOM 1092 C HIS 68 -0.262 -23.763 27.195 1.00 11.11 ATOM 1093 O HIS 68 -0.506 -24.942 27.464 1.00 30.15 ATOM 1094 N VAL 69 -0.666 -23.174 26.068 1.00 62.24 ATOM 1095 HN VAL 69 -0.444 -22.230 25.927 1.00 35.64 ATOM 1096 CA VAL 69 -1.430 -23.876 25.031 1.00 21.13 ATOM 1097 HA VAL 69 -2.169 -24.497 25.522 1.00 61.11 ATOM 1098 CB VAL 69 -2.171 -22.867 24.111 1.00 11.21 ATOM 1099 HB VAL 69 -1.430 -22.329 23.533 1.00 14.34 ATOM 1100 CG1 VAL 69 -3.094 -23.590 23.135 1.00 21.25 ATOM 1101 HG11 VAL 69 -3.824 -24.165 23.686 1.00 4.33 ATOM 1102 HG12 VAL 69 -2.512 -24.253 22.511 1.00 13.33 ATOM 1103 HG13 VAL 69 -3.602 -22.866 22.513 1.00 42.43 ATOM 1104 CG2 VAL 69 -2.955 -21.847 24.940 1.00 4.44 ATOM 1105 HG21 VAL 69 -3.692 -22.361 25.541 1.00 42.52 ATOM 1106 HG22 VAL 69 -3.454 -21.150 24.280 1.00 11.21 ATOM 1107 HG23 VAL 69 -2.277 -21.307 25.585 1.00 10.22 ATOM 1108 C VAL 69 -0.517 -24.769 24.169 1.00 13.40 ATOM 1109 O VAL 69 0.650 -24.442 23.932 1.00 55.12 ATOM 1110 N THR 70 -1.058 -25.894 23.698 1.00 61.44 ATOM 1111 HN THR 70 -2.001 -26.084 23.890 1.00 35.64 ATOM 1112 CA THR 70 -0.292 -26.849 22.882 1.00 32.41 ATOM 1113 HA THR 70 0.751 -26.561 22.911 1.00 44.15 ATOM 1114 CB THR 70 -0.413 -28.294 23.429 1.00 5.25 ATOM 1115 HB THR 70 0.330 -28.912 22.942 1.00 24.20 ATOM 1116 OG1 THR 70 -1.718 -28.830 23.150 1.00 70.31 ATOM 1117 HG1 THR 70 -2.378 -28.376 23.692 1.00 44.43 ATOM 1118 CG2 THR 70 -0.164 -28.333 24.934 1.00 11.22 ATOM 1119 HG21 THR 70 0.822 -27.945 25.148 1.00 51.21 ATOM 1120 HG22 THR 70 -0.232 -29.353 25.284 1.00 41.21 ATOM 1121 HG23 THR 70 -0.906 -27.730 25.439 1.00 21.12 ATOM 1122 C THR 70 -0.768 -26.844 21.423 1.00 43.53 ATOM 1123 O THR 70 -1.787 -26.236 21.093 1.00 14.44 ATOM 1124 N GLN 71 -0.028 -27.526 20.547 1.00 5.33 ATOM 1125 HN GLN 71 0.807 -27.944 20.847 1.00 35.64 ATOM 1126 CA GLN 71 -0.430 -27.654 19.140 1.00 31.32 ATOM 1127 HA GLN 71 -0.510 -26.657 18.729 1.00 53.33 ATOM 1128 CB GLN 71 0.632 -28.434 18.348 1.00 44.34 ATOM 1129 HB1 GLN 71 0.762 -29.409 18.799 1.00 35.64 ATOM 1130 HB2 GLN 71 1.569 -27.896 18.401 1.00 34.42 ATOM 1131 CG GLN 71 0.273 -28.630 16.877 1.00 74.55 ATOM 1132 HG1 GLN 71 0.194 -27.658 16.411 1.00 35.64 ATOM 1133 HG2 GLN 71 -0.683 -29.130 16.816 1.00 13.34 ATOM 1134 CD GLN 71 1.293 -29.455 16.109 1.00 24.42 ATOM 1135 OE1 GLN 71 1.196 -30.676 16.031 1.00 44.31 ATOM 1136 NE2 GLN 71 2.266 -28.797 15.515 1.00 71.51 ATOM 1137 HE21 GLN 71 2.284 -27.823 15.595 1.00 24.21 ATOM 1138 HE22 GLN 71 2.933 -29.316 15.015 1.00 72.31 ATOM 1139 C GLN 71 -1.797 -28.350 19.013 1.00 31.53 ATOM 1140 O GLN 71 -2.617 -27.988 18.165 1.00 61.24 ATOM 1141 N GLU 72 -2.036 -29.332 19.886 1.00 71.12 ATOM 1142 HN GLU 72 -1.353 -29.544 20.553 1.00 35.64 ATOM 1143 CA GLU 72 -3.287 -30.099 19.887 1.00 64.23 ATOM 1144 HA GLU 72 -3.336 -30.650 18.958 1.00 22.02 ATOM 1145 CB GLU 72 -3.302 -31.095 21.056 1.00 74.40 ATOM 1146 HB1 GLU 72 -3.162 -30.549 21.979 1.00 35.64 ATOM 1147 HB2 GLU 72 -2.481 -31.790 20.933 1.00 22.13 ATOM 1148 CG GLU 72 -4.599 -31.895 21.161 1.00 53.13 ATOM 1149 HG1 GLU 72 -4.703 -32.507 20.274 1.00 35.64 ATOM 1150 HG2 GLU 72 -5.430 -31.205 21.214 1.00 33.35 ATOM 1151 CD GLU 72 -4.642 -32.796 22.384 1.00 32.03 ATOM 1152 OE1 GLU 72 -5.114 -32.341 23.447 1.00 45.12 ATOM 1153 OE2 GLU 72 -4.214 -33.965 22.288 1.00 0.54 ATOM 1154 C GLU 72 -4.515 -29.181 19.983 1.00 1.44 ATOM 1155 O GLU 72 -5.472 -29.329 19.227 1.00 21.43 ATOM 1156 N ASP 73 -4.476 -28.232 20.914 1.00 45.22 ATOM 1157 HN ASP 73 -3.671 -28.140 21.466 1.00 35.64 ATOM 1158 CA ASP 73 -5.602 -27.320 21.139 1.00 73.21 ATOM 1159 HA ASP 73 -6.449 -27.919 21.443 1.00 52.15 ATOM 1160 CB ASP 73 -5.260 -26.345 22.269 1.00 15.32 ATOM 1161 HB1 ASP 73 -6.109 -25.701 22.453 1.00 35.64 ATOM 1162 HB2 ASP 73 -4.414 -25.741 21.974 1.00 2.43 ATOM 1163 CG ASP 73 -4.917 -27.069 23.560 1.00 32.22 ATOM 1164 OD1 ASP 73 -3.759 -26.965 24.028 1.00 4.11 ATOM 1165 OD2 ASP 73 -5.802 -27.758 24.106 1.00 13.44 ATOM 1166 C ASP 73 -5.981 -26.552 19.859 1.00 55.22 ATOM 1167 O ASP 73 -7.164 -26.368 19.555 1.00 21.22 ATOM 1168 N PHE 74 -4.971 -26.121 19.107 1.00 25.54 ATOM 1169 HN PHE 74 -4.052 -26.293 19.403 1.00 35.64 ATOM 1170 CA PHE 74 -5.197 -25.397 17.853 1.00 22.30 ATOM 1171 HA PHE 74 -5.909 -24.609 18.060 1.00 53.32 ATOM 1172 CB PHE 74 -3.893 -24.758 17.356 1.00 24.23 ATOM 1173 HB1 PHE 74 -4.028 -24.433 16.334 1.00 35.64 ATOM 1174 HB2 PHE 74 -3.104 -25.495 17.388 1.00 44.43 ATOM 1175 CG PHE 74 -3.447 -23.564 18.164 1.00 14.23 ATOM 1176 CD1 PHE 74 -2.517 -23.702 19.185 1.00 15.12 ATOM 1177 HD1 PHE 74 -2.106 -24.677 19.403 1.00 44.12 ATOM 1178 CD2 PHE 74 -3.962 -22.300 17.898 1.00 1.05 ATOM 1179 HD2 PHE 74 -4.689 -22.179 17.106 1.00 65.41 ATOM 1180 CE1 PHE 74 -2.109 -22.605 19.921 1.00 15.11 ATOM 1181 HE1 PHE 74 -1.385 -22.726 20.714 1.00 10.52 ATOM 1182 CE2 PHE 74 -3.557 -21.202 18.633 1.00 31.12 ATOM 1183 HE2 PHE 74 -3.965 -20.226 18.417 1.00 21.04 ATOM 1184 CZ PHE 74 -2.630 -21.355 19.646 1.00 43.14 ATOM 1185 HZ PHE 74 -2.311 -20.497 20.220 1.00 62.53 ATOM 1186 C PHE 74 -5.790 -26.307 16.760 1.00 74.55 ATOM 1187 O PHE 74 -6.805 -25.970 16.152 1.00 24.20 ATOM 1188 N GLU 75 -5.161 -27.459 16.511 1.00 61.35 ATOM 1189 HN GLU 75 -4.371 -27.697 17.045 1.00 35.64 ATOM 1190 CA GLU 75 -5.625 -28.380 15.459 1.00 0.22 ATOM 1191 HA GLU 75 -5.680 -27.811 14.540 1.00 64.51 ATOM 1192 CB GLU 75 -4.620 -29.528 15.260 1.00 12.22 ATOM 1193 HB1 GLU 75 -3.672 -29.107 14.953 1.00 35.64 ATOM 1194 HB2 GLU 75 -4.983 -30.173 14.472 1.00 22.53 ATOM 1195 CG GLU 75 -4.382 -30.381 16.500 1.00 3.33 ATOM 1196 HG1 GLU 75 -5.309 -30.868 16.770 1.00 35.64 ATOM 1197 HG2 GLU 75 -4.069 -29.737 17.310 1.00 25.32 ATOM 1198 CD GLU 75 -3.315 -31.441 16.285 1.00 33.32 ATOM 1199 OE1 GLU 75 -3.664 -32.638 16.191 1.00 22.03 ATOM 1200 OE2 GLU 75 -2.125 -31.078 16.185 1.00 73.44 ATOM 1201 C GLU 75 -7.029 -28.931 15.764 1.00 54.00 ATOM 1202 O GLU 75 -7.860 -29.077 14.862 1.00 31.41 ATOM 1203 N MET 76 -7.290 -29.228 17.039 1.00 11.11 ATOM 1204 HN MET 76 -6.565 -29.169 17.698 1.00 35.64 ATOM 1205 CA MET 76 -8.628 -29.637 17.482 1.00 60.44 ATOM 1206 HA MET 76 -8.899 -30.533 16.942 1.00 12.33 ATOM 1207 CB MET 76 -8.626 -29.938 18.989 1.00 60.20 ATOM 1208 HB1 MET 76 -9.648 -30.035 19.328 1.00 35.64 ATOM 1209 HB2 MET 76 -8.162 -29.112 19.510 1.00 50.12 ATOM 1210 CG MET 76 -7.881 -31.215 19.361 1.00 60.44 ATOM 1211 HG1 MET 76 -7.805 -31.276 20.437 1.00 35.64 ATOM 1212 HG2 MET 76 -6.889 -31.176 18.935 1.00 73.44 ATOM 1213 SD MET 76 -8.709 -32.699 18.754 1.00 71.01 ATOM 1214 CE MET 76 -10.268 -32.589 19.636 1.00 14.54 ATOM 1215 HE1 MET 76 -10.889 -33.435 19.380 1.00 21.45 ATOM 1216 HE2 MET 76 -10.774 -31.674 19.361 1.00 20.30 ATOM 1217 HE3 MET 76 -10.080 -32.589 20.700 1.00 51.44 ATOM 1218 C MET 76 -9.654 -28.541 17.168 1.00 51.01 ATOM 1219 O MET 76 -10.752 -28.814 16.675 1.00 41.11 ATOM 1220 N ALA 77 -9.276 -27.296 17.446 1.00 70.20 ATOM 1221 HN ALA 77 -8.410 -27.147 17.888 1.00 35.64 ATOM 1222 CA ALA 77 -10.112 -26.143 17.124 1.00 50.43 ATOM 1223 HA ALA 77 -11.053 -26.259 17.644 1.00 31.33 ATOM 1224 CB ALA 77 -9.451 -24.867 17.618 1.00 34.12 ATOM 1225 HB1 ALA 77 -8.515 -24.719 17.099 1.00 34.12 ATOM 1226 HB2 ALA 77 -9.265 -24.944 18.679 1.00 24.14 ATOM 1227 HB3 ALA 77 -10.103 -24.026 17.428 1.00 63.32 ATOM 1228 C ALA 77 -10.383 -26.054 15.616 1.00 3.42 ATOM 1229 O ALA 77 -11.533 -25.947 15.192 1.00 32.01 ATOM 1230 N VAL 78 -9.319 -26.121 14.815 1.00 1.51 ATOM 1231 HN VAL 78 -8.432 -26.225 15.220 1.00 35.64 ATOM 1232 CA VAL 78 -9.426 -26.040 13.351 1.00 11.44 ATOM 1233 HA VAL 78 -9.781 -25.049 13.102 1.00 63.20 ATOM 1234 CB VAL 78 -8.046 -26.245 12.672 1.00 30.52 ATOM 1235 HB VAL 78 -7.643 -27.195 13.003 1.00 65.12 ATOM 1236 CG1 VAL 78 -8.192 -26.298 11.152 1.00 21.01 ATOM 1237 HG11 VAL 78 -8.795 -27.150 10.876 1.00 1.10 ATOM 1238 HG12 VAL 78 -7.217 -26.386 10.696 1.00 74.35 ATOM 1239 HG13 VAL 78 -8.671 -25.394 10.804 1.00 22.01 ATOM 1240 CG2 VAL 78 -7.069 -25.146 13.083 1.00 63.42 ATOM 1241 HG21 VAL 78 -7.458 -24.184 12.782 1.00 54.11 ATOM 1242 HG22 VAL 78 -6.114 -25.312 12.605 1.00 53.40 ATOM 1243 HG23 VAL 78 -6.939 -25.161 14.156 1.00 65.12 ATOM 1244 C VAL 78 -10.411 -27.078 12.791 1.00 64.32 ATOM 1245 O VAL 78 -11.304 -26.744 12.009 1.00 14.14 ATOM 1246 N ALA 79 -10.248 -28.333 13.201 1.00 1.34 ATOM 1247 HN ALA 79 -9.521 -28.537 13.829 1.00 35.64 ATOM 1248 CA ALA 79 -11.116 -29.419 12.739 1.00 11.33 ATOM 1249 HA ALA 79 -10.992 -29.507 11.668 1.00 54.21 ATOM 1250 CB ALA 79 -10.684 -30.736 13.370 1.00 71.53 ATOM 1251 HB1 ALA 79 -9.646 -30.923 13.140 1.00 52.33 ATOM 1252 HB2 ALA 79 -11.289 -31.542 12.978 1.00 32.53 ATOM 1253 HB3 ALA 79 -10.811 -30.683 14.442 1.00 44.32 ATOM 1254 C ALA 79 -12.598 -29.138 13.043 1.00 14.22 ATOM 1255 O ALA 79 -13.467 -29.338 12.192 1.00 34.10 ATOM 1256 N LYS 80 -12.876 -28.653 14.253 1.00 14.33 ATOM 1257 HN LYS 80 -12.138 -28.486 14.879 1.00 35.64 ATOM 1258 CA LYS 80 -14.255 -28.379 14.678 1.00 62.34 ATOM 1259 HA LYS 80 -14.863 -29.215 14.357 1.00 35.30 ATOM 1260 CB LYS 80 -14.331 -28.282 16.211 1.00 64.40 ATOM 1261 HB1 LYS 80 -13.739 -27.440 16.539 1.00 35.64 ATOM 1262 HB2 LYS 80 -13.919 -29.187 16.639 1.00 34.43 ATOM 1263 CG LYS 80 -15.754 -28.103 16.740 1.00 63.51 ATOM 1264 HG1 LYS 80 -16.384 -28.871 16.311 1.00 35.64 ATOM 1265 HG2 LYS 80 -16.116 -27.133 16.430 1.00 71.34 ATOM 1266 CD LYS 80 -15.838 -28.189 18.267 1.00 52.14 ATOM 1267 HD1 LYS 80 -15.218 -29.008 18.606 1.00 35.64 ATOM 1268 HD2 LYS 80 -16.865 -28.381 18.548 1.00 52.24 ATOM 1269 CE LYS 80 -15.380 -26.904 18.955 1.00 53.12 ATOM 1270 HE1 LYS 80 -15.568 -26.994 20.016 1.00 35.64 ATOM 1271 HE2 LYS 80 -15.953 -26.077 18.563 1.00 4.21 ATOM 1272 NZ LYS 80 -13.935 -26.623 18.746 1.00 41.00 ATOM 1273 HZ1 LYS 80 -13.673 -25.738 19.228 1.00 53.13 ATOM 1274 HZ2 LYS 80 -13.727 -26.528 17.736 1.00 23.51 ATOM 1275 HZ3 LYS 80 -13.360 -27.396 19.140 1.00 11.44 ATOM 1276 C LYS 80 -14.820 -27.096 14.035 1.00 45.30 ATOM 1277 O LYS 80 -16.000 -27.042 13.683 1.00 72.53 ATOM 1278 N VAL 81 -13.978 -26.071 13.883 1.00 15.21 ATOM 1279 HN VAL 81 -13.046 -26.178 14.160 1.00 35.64 ATOM 1280 CA VAL 81 -14.408 -24.786 13.302 1.00 63.44 ATOM 1281 HA VAL 81 -15.351 -24.520 13.762 1.00 12.51 ATOM 1282 CB VAL 81 -13.386 -23.653 13.612 1.00 13.44 ATOM 1283 HB VAL 81 -12.418 -23.956 13.234 1.00 41.33 ATOM 1284 CG1 VAL 81 -13.779 -22.347 12.919 1.00 14.51 ATOM 1285 HG11 VAL 81 -14.767 -22.049 13.238 1.00 72.53 ATOM 1286 HG12 VAL 81 -13.776 -22.490 11.848 1.00 61.23 ATOM 1287 HG13 VAL 81 -13.070 -21.573 13.177 1.00 53.42 ATOM 1288 CG2 VAL 81 -13.260 -23.442 15.123 1.00 62.13 ATOM 1289 HG21 VAL 81 -14.208 -23.111 15.524 1.00 41.10 ATOM 1290 HG22 VAL 81 -12.506 -22.695 15.322 1.00 50.15 ATOM 1291 HG23 VAL 81 -12.976 -24.372 15.596 1.00 30.23 ATOM 1292 C VAL 81 -14.620 -24.890 11.780 1.00 62.52 ATOM 1293 O VAL 81 -15.673 -24.510 11.264 1.00 45.35 ATOM 1294 N MET 82 -13.615 -25.402 11.065 1.00 12.32 ATOM 1295 HN MET 82 -12.777 -25.630 11.517 1.00 35.64 ATOM 1296 CA MET 82 -13.732 -25.627 9.618 1.00 63.11 ATOM 1297 HA MET 82 -14.045 -24.696 9.164 1.00 42.33 ATOM 1298 CB MET 82 -12.378 -26.041 9.026 1.00 50.24 ATOM 1299 HB1 MET 82 -12.508 -26.256 7.974 1.00 35.64 ATOM 1300 HB2 MET 82 -12.040 -26.937 9.526 1.00 72.20 ATOM 1301 CG MET 82 -11.290 -24.982 9.164 1.00 13.31 ATOM 1302 HG1 MET 82 -10.379 -25.360 8.724 1.00 35.64 ATOM 1303 HG2 MET 82 -11.125 -24.787 10.215 1.00 10.54 ATOM 1304 SD MET 82 -11.722 -23.428 8.353 1.00 51.12 ATOM 1305 CE MET 82 -11.929 -23.960 6.651 1.00 5.01 ATOM 1306 HE1 MET 82 -10.996 -24.364 6.281 1.00 0.21 ATOM 1307 HE2 MET 82 -12.223 -23.117 6.042 1.00 33.01 ATOM 1308 HE3 MET 82 -12.694 -24.721 6.600 1.00 3.51 ATOM 1309 C MET 82 -14.789 -26.701 9.317 1.00 11.40 ATOM 1310 O MET 82 -15.452 -26.660 8.279 1.00 72.43 ATOM 1311 N GLN 83 -14.930 -27.655 10.247 1.00 22.00 ATOM 1312 HN GLN 83 -14.314 -27.651 11.011 1.00 35.64 ATOM 1313 CA GLN 83 -15.963 -28.705 10.189 1.00 51.14 ATOM 1314 HA GLN 83 -15.991 -29.162 11.169 1.00 10.24 ATOM 1315 CB GLN 83 -17.350 -28.098 9.907 1.00 71.23 ATOM 1316 HB1 GLN 83 -18.078 -28.896 9.881 1.00 35.64 ATOM 1317 HB2 GLN 83 -17.330 -27.610 8.942 1.00 52.22 ATOM 1318 CG GLN 83 -17.795 -27.077 10.953 1.00 62.23 ATOM 1319 HG1 GLN 83 -17.094 -26.253 10.950 1.00 35.64 ATOM 1320 HG2 GLN 83 -17.785 -27.550 11.923 1.00 32.45 ATOM 1321 CD GLN 83 -19.189 -26.530 10.701 1.00 1.41 ATOM 1322 OE1 GLN 83 -20.054 -27.215 10.161 1.00 75.35 ATOM 1323 NE2 GLN 83 -19.418 -25.291 11.090 1.00 32.34 ATOM 1324 HE21 GLN 83 -18.685 -24.793 11.509 1.00 71.34 ATOM 1325 HE22 GLN 83 -20.314 -24.921 10.946 1.00 35.10 ATOM 1326 C GLN 83 -15.631 -29.815 9.173 1.00 62.14 ATOM 1327 O GLN 83 -16.522 -30.539 8.717 1.00 73.35 ATOM 1328 N LYS 84 -14.349 -29.962 8.833 1.00 24.02 ATOM 1329 HN LYS 84 -13.693 -29.295 9.135 1.00 35.64 ATOM 1330 CA LYS 84 -13.890 -31.099 8.020 1.00 51.23 ATOM 1331 HA LYS 84 -14.767 -31.650 7.705 1.00 73.02 ATOM 1332 CB LYS 84 -13.121 -30.639 6.763 1.00 50.55 ATOM 1333 HB1 LYS 84 -12.668 -31.505 6.298 1.00 35.64 ATOM 1334 HB2 LYS 84 -12.336 -29.960 7.066 1.00 51.54 ATOM 1335 CG LYS 84 -13.985 -29.933 5.715 1.00 60.42 ATOM 1336 HG1 LYS 84 -14.890 -30.506 5.565 1.00 35.64 ATOM 1337 HG2 LYS 84 -13.435 -29.885 4.785 1.00 54.11 ATOM 1338 CD LYS 84 -14.358 -28.516 6.135 1.00 43.54 ATOM 1339 HD1 LYS 84 -13.463 -27.908 6.147 1.00 35.64 ATOM 1340 HD2 LYS 84 -14.784 -28.545 7.127 1.00 64.13 ATOM 1341 CE LYS 84 -15.370 -27.882 5.187 1.00 61.44 ATOM 1342 HE1 LYS 84 -15.575 -26.875 5.522 1.00 35.64 ATOM 1343 HE2 LYS 84 -16.282 -28.461 5.214 1.00 1.25 ATOM 1344 NZ LYS 84 -14.877 -27.834 3.785 1.00 4.52 ATOM 1345 HZ1 LYS 84 -13.929 -27.412 3.752 1.00 4.35 ATOM 1346 HZ2 LYS 84 -15.518 -27.259 3.203 1.00 11.24 ATOM 1347 HZ3 LYS 84 -14.833 -28.796 3.385 1.00 10.24 ATOM 1348 C LYS 84 -13.013 -32.040 8.862 1.00 5.15 ATOM 1349 O LYS 84 -11.782 -31.935 8.864 1.00 51.12 ATOM 1350 N ASP 85 -13.662 -32.935 9.601 1.00 12.34 ATOM 1351 HN ASP 85 -14.641 -32.939 9.580 1.00 35.64 ATOM 1352 CA ASP 85 -12.968 -33.904 10.455 1.00 63.13 ATOM 1353 HA ASP 85 -11.904 -33.786 10.300 1.00 55.55 ATOM 1354 CB ASP 85 -13.289 -33.622 11.928 1.00 21.25 ATOM 1355 HB1 ASP 85 -14.354 -33.735 12.088 1.00 35.64 ATOM 1356 HB2 ASP 85 -13.005 -32.606 12.162 1.00 42.14 ATOM 1357 CG ASP 85 -12.554 -34.556 12.876 1.00 42.22 ATOM 1358 OD1 ASP 85 -11.377 -34.286 13.195 1.00 50.33 ATOM 1359 OD2 ASP 85 -13.152 -35.564 13.312 1.00 2.43 ATOM 1360 C ASP 85 -13.366 -35.343 10.083 1.00 54.14 ATOM 1361 O ASP 85 -12.508 -36.180 9.792 1.00 2.34 ATOM 1362 N SER 86 -14.672 -35.615 10.089 1.00 53.20 ATOM 1363 HN SER 86 -15.301 -34.910 10.353 1.00 35.64 ATOM 1364 HA SER 86 -14.650 -37.285 8.850 1.00 73.20 ATOM 1365 CB SER 86 -15.020 -37.947 10.856 1.00 51.14 ATOM 1366 HB1 SER 86 -15.566 -37.609 11.725 1.00 35.64 ATOM 1367 HB2 SER 86 -13.970 -38.024 11.100 1.00 65.12 ATOM 1368 OG SER 86 -15.499 -39.235 10.489 1.00 31.23 ATOM 1369 HG SER 86 -16.429 -39.315 10.744 1.00 52.24 ATOM 1370 CA SER 86 -15.205 -36.939 9.713 1.00 23.40 ATOM 1371 C SER 86 -16.696 -36.851 9.335 1.00 73.31 ATOM 1372 OT1 SER 86 -17.552 -36.842 10.251 1.00 35.64 ATOM 1373 OT2 SER 86 -17.007 -36.780 8.125 1.00 35.64 ATOM 1374 OH2 TIP3 1 -19.319 -38.653 2.680 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -18.603 -38.234 2.165 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -18.911 -39.440 3.058 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -18.868 -41.394 8.560 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.828 -40.651 9.208 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -18.221 -41.142 7.873 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -17.869 -37.783 5.759 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.799 -37.518 5.840 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -17.477 -37.553 6.636 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.246 -30.478 8.307 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -19.705 -30.403 9.168 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.322 -30.677 8.548 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -16.816 -34.309 7.142 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.749 -34.037 6.948 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.902 -35.246 7.457 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -13.914 -41.043 4.267 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -13.989 -40.834 5.227 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -13.158 -41.636 4.215 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -11.078 -42.573 11.955 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -10.354 -42.981 12.455 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -10.640 -41.863 11.444 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -16.964 -37.551 1.695 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.243 -38.202 1.659 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.733 -36.983 2.451 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -22.220 -37.482 11.832 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -22.102 -36.927 12.632 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -21.689 -37.030 11.150 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.479 -33.020 4.696 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.445 -33.644 5.447 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -15.690 -33.246 4.159 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -16.034 -36.581 4.108 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -15.532 -36.142 4.826 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -16.729 -37.091 4.581 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.647 -40.315 4.645 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -17.359 -40.744 5.473 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.776 -39.378 4.897 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -18.065 -35.168 12.442 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -17.826 -35.831 11.756 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -17.368 -34.506 12.383 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -16.557 -33.378 9.780 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -16.820 -33.545 8.854 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -17.277 -32.810 10.135 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -12.922 -41.966 13.987 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -12.346 -42.246 13.245 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -13.745 -42.505 13.866 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -18.506 -39.428 10.385 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -18.311 -38.469 10.321 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -19.205 -39.486 11.079 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -20.594 -39.640 12.095 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.094 -40.368 12.473 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -21.248 -38.909 12.026 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -16.534 -41.087 7.101 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -15.679 -40.635 6.945 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -16.327 -41.756 7.766 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -19.692 -36.365 7.776 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.158 -36.396 8.633 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.769 -36.624 7.996 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -19.007 -32.238 3.926 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.355 -33.118 3.737 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -18.063 -32.400 4.155 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -19.064 -43.368 10.642 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -18.831 -42.533 10.205 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -19.688 -43.791 10.024 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -13.547 -43.322 10.954 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -12.617 -43.212 11.231 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -13.729 -42.526 10.412 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.183 -41.757 2.812 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -15.393 -41.659 3.371 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.898 -41.345 3.336 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -24.703 -30.817 13.426 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -24.383 -30.443 14.272 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -23.939 -30.731 12.822 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.133 -36.154 10.545 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -20.055 -35.716 11.404 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.217 -36.464 10.352 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -13.500 -39.345 14.346 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -12.918 -38.909 13.685 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -13.477 -40.297 14.093 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -20.491 -43.624 8.234 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.998 -42.778 8.304 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -20.683 -43.708 7.298 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -13.598 -40.205 16.947 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -13.567 -39.764 16.067 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -13.448 -41.139 16.746 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.553 -44.423 12.656 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.100 -45.190 12.825 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.029 -43.941 11.941 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -13.780 -36.860 2.610 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -14.596 -36.780 3.147 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -13.895 -37.707 2.135 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -14.851 -39.399 2.154 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.395 -39.725 2.953 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -15.428 -40.143 1.896 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -9.310 -40.544 11.046 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -8.927 -40.940 11.857 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -8.600 -39.977 10.699 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -13.831 -40.603 6.951 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -13.064 -39.985 6.915 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -13.834 -40.919 7.883 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -13.764 -40.937 9.642 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -14.487 -40.354 9.986 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.944 -40.430 9.830 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.151 -34.013 3.531 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -14.105 -34.480 4.395 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.096 -34.727 2.873 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.665 -32.024 10.889 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.258 -32.723 11.189 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.208 -31.209 10.943 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -19.422 -33.809 6.842 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -20.236 -33.283 6.781 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -19.732 -34.707 7.098 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.646 -31.362 6.098 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.122 -31.080 6.882 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.973 -31.684 5.466 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -18.073 -29.672 0.396 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -17.988 -29.901 -0.537 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -18.822 -30.199 0.704 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -12.962 -31.521 17.873 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -13.818 -31.775 17.449 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -12.299 -31.696 17.185 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -15.134 -37.112 14.263 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -14.484 -36.507 13.827 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -14.651 -37.962 14.344 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -15.158 -33.806 22.103 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -14.789 -33.722 21.191 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -14.389 -34.001 22.648 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -13.638 -33.640 19.830 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -13.111 -34.396 19.486 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -13.443 -32.915 19.214 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -13.041 -35.305 16.134 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -12.941 -35.491 15.175 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -14.005 -35.180 16.252 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -15.066 -43.437 13.245 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -14.672 -43.532 12.352 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -15.980 -43.783 13.141 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -16.167 -39.322 17.484 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -16.306 -39.540 18.408 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -15.267 -39.655 17.291 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.399 -37.644 15.720 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.096 -38.297 16.390 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -16.687 -37.647 15.047 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -15.468 -30.430 32.008 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -14.880 -31.109 32.365 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -15.629 -30.716 31.081 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.111 -35.887 21.120 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.578 -35.102 20.757 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -19.134 -36.526 20.404 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -19.041 -27.664 16.281 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -18.570 -26.813 16.442 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -19.180 -28.027 17.183 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -15.816 -35.131 16.090 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -16.573 -35.460 16.595 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -15.684 -35.809 15.392 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -11.916 -37.915 12.638 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -11.083 -37.691 13.100 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -12.441 -37.084 12.687 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -13.385 -31.138 27.477 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -12.522 -31.113 27.947 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -13.407 -30.294 26.974 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.290 -33.776 19.862 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -21.061 -33.181 19.717 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -19.907 -33.892 18.964 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -16.019 -31.705 23.801 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -15.480 -32.157 24.492 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.935 -32.289 23.022 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -15.207 -32.436 16.630 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -16.048 -31.981 16.417 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -15.400 -33.381 16.470 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -19.248 -34.063 17.279 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -18.699 -33.345 16.942 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -19.319 -34.685 16.524 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -12.335 -29.890 23.848 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -11.851 -29.469 23.115 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -12.082 -30.824 23.788 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -19.031 -35.630 14.989 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -18.531 -36.430 15.283 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -18.665 -35.433 14.098 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.552 -35.987 14.015 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -22.111 -35.916 14.793 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -20.641 -35.870 14.362 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -22.182 -31.800 19.551 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -22.377 -31.271 20.331 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -22.249 -31.166 18.807 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -10.454 -29.668 21.807 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -9.552 -29.342 22.026 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -10.477 -30.570 22.191 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -11.068 -30.788 28.873 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -10.705 -30.042 28.344 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -10.374 -31.486 28.804 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -11.787 -38.465 18.449 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -11.234 -38.454 17.636 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -12.519 -39.071 18.228 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -9.423 -37.489 19.733 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -10.269 -37.847 19.399 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -9.341 -37.859 20.617 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -14.539 -32.918 25.752 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.132 -32.267 26.366 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.215 -33.768 26.063 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -10.211 -36.523 14.262 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -10.687 -35.744 13.883 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -9.421 -36.133 14.691 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -8.674 -41.908 13.414 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -7.994 -42.260 13.995 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -9.344 -41.523 14.033 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -11.578 -33.007 15.635 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -12.114 -33.707 16.059 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -11.524 -33.290 14.694 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -17.343 -31.692 27.382 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -18.278 -31.512 27.631 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -17.404 -32.397 26.721 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -19.702 -32.105 22.079 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -19.844 -32.694 21.314 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.862 -32.674 22.851 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -17.648 -34.669 23.071 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -18.084 -35.192 22.361 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -16.801 -34.385 22.672 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -13.679 -28.893 25.952 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -13.174 -29.162 25.144 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -14.605 -29.166 25.755 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -17.574 -31.199 15.894 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -17.373 -30.640 15.118 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -18.497 -30.983 16.107 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.347 -31.270 29.359 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.667 -31.217 28.654 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -16.180 -31.422 28.869 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -10.639 -33.412 35.134 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -10.863 -33.079 34.229 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -11.273 -34.121 35.287 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -11.754 -29.413 33.517 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -11.222 -30.220 33.517 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -11.121 -28.706 33.263 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.882 -29.194 36.839 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -12.694 -29.047 37.794 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -12.273 -29.918 36.588 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -11.274 -32.650 32.626 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -11.922 -32.077 32.154 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -10.869 -33.170 31.923 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -15.770 -30.782 39.788 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.541 -30.973 39.211 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -15.009 -30.893 39.211 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -11.441 -31.416 39.096 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.385 -31.874 39.947 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -11.611 -30.480 39.336 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -17.906 -31.222 38.109 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -18.274 -30.504 37.584 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -18.579 -31.910 38.080 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -14.473 -27.400 35.579 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -14.106 -28.205 36.014 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -15.185 -27.751 34.988 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -10.591 -18.894 -5.494 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -11.488 -18.794 -5.829 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -10.467 -18.110 -4.900 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -11.765 -12.329 -6.794 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -12.507 -11.918 -6.292 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -11.847 -11.952 -7.689 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -7.452 -15.916 -5.096 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -8.281 -15.929 -5.620 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -7.411 -16.818 -4.693 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -10.347 -16.758 -3.876 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -10.594 -15.864 -4.186 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -10.262 -16.661 -2.902 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -11.092 -14.285 -4.966 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -11.501 -13.988 -4.127 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -11.335 -13.583 -5.614 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -19.670 -21.874 2.674 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -20.167 -22.387 3.356 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -20.049 -22.167 1.838 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -17.230 -22.950 3.309 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -18.120 -22.638 3.047 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.936 -22.297 3.976 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.721 -18.470 5.303 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -14.209 -18.284 6.123 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -15.045 -17.601 5.026 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.566 -17.077 5.970 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.337 -17.650 5.786 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.110 -17.522 6.709 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -18.307 -20.457 6.838 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -18.003 -19.760 7.459 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -18.353 -21.270 7.392 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -16.175 -24.364 6.948 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -16.838 -23.908 7.482 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -16.030 -25.208 7.414 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -16.678 -25.688 2.997 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -17.014 -24.768 3.031 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -17.405 -26.193 2.565 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -24.771 -26.378 12.162 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -25.517 -27.004 12.053 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -24.123 -26.877 12.706 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -20.353 -19.668 10.634 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -19.871 -18.830 10.822 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -20.584 -19.602 9.701 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -21.839 -29.194 4.974 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -22.756 -29.447 4.826 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -21.464 -29.944 5.494 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -16.888 -15.740 4.213 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -17.541 -16.259 4.734 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.188 -15.520 4.866 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -17.238 -17.344 2.058 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -17.831 -18.062 2.366 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -17.205 -16.722 2.811 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.580 -19.433 3.271 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.022 -20.222 2.887 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.767 -19.794 3.685 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -17.358 -18.433 8.398 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -17.390 -17.721 9.051 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -16.940 -19.180 8.882 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -19.080 -17.257 10.893 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -19.118 -16.378 10.457 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -18.129 -17.370 11.114 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.558 -14.390 -1.373 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.625 -14.133 -0.435 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.635 -15.357 -1.357 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.531 -17.159 0.026 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -15.334 -18.100 -0.137 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.263 -17.184 0.691 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -22.455 -21.034 4.927 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -21.782 -20.354 5.144 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -23.278 -20.540 4.868 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.727 -24.646 4.636 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.169 -24.402 5.479 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.453 -24.983 4.077 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -19.822 -24.294 6.826 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -20.115 -25.221 6.720 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -20.071 -23.871 5.986 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -20.803 -26.863 6.164 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -21.334 -27.508 5.655 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -19.919 -27.296 6.239 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -21.100 -23.343 4.465 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -21.680 -22.579 4.703 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -21.678 -24.112 4.539 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -20.765 -16.385 13.052 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -21.454 -17.079 13.087 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -20.192 -16.661 12.317 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -21.620 -23.541 12.109 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -22.139 -23.932 11.368 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -22.206 -23.647 12.884 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -13.739 -19.840 3.140 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -13.193 -20.507 3.617 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.134 -19.300 3.860 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -16.561 -20.583 4.736 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -15.825 -20.002 5.013 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -17.143 -20.623 5.527 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -16.579 -20.804 9.709 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -17.199 -21.508 9.426 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.709 -21.227 9.674 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -10.359 -16.633 -1.139 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -9.979 -16.639 -0.240 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -11.264 -16.993 -1.017 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -14.829 -19.911 0.514 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -15.062 -20.848 0.678 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -14.431 -19.621 1.357 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -18.559 -27.323 1.853 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -19.043 -27.869 2.501 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -18.271 -27.963 1.177 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -19.566 -29.552 3.326 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -19.414 -30.493 3.560 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -20.335 -29.293 3.871 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.113 -15.186 12.962 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -16.407 -15.555 13.523 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -17.119 -15.770 12.183 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -11.813 -13.651 -2.355 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -11.946 -14.387 -1.741 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -12.403 -12.943 -2.016 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -19.381 -22.189 11.175 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -19.715 -21.276 11.052 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -20.129 -22.661 11.604 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -20.310 -19.290 5.395 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -19.848 -19.214 4.534 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -19.700 -19.826 5.946 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -16.998 -20.568 12.601 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -16.740 -20.471 11.670 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -17.758 -21.165 12.572 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -12.847 -17.586 -0.585 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.701 -17.165 -0.367 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -13.085 -18.285 -1.239 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -23.101 -25.005 10.407 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -23.822 -25.473 10.877 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -22.873 -25.599 9.664 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -22.161 -26.809 8.569 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -21.381 -26.986 9.137 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -21.782 -26.723 7.668 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -18.439 -22.641 8.531 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -18.952 -23.284 7.979 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -18.857 -22.702 9.417 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -23.768 -24.352 13.744 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -24.305 -24.495 14.527 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -24.166 -24.945 13.069 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -24.007 -28.489 9.730 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -23.478 -27.879 9.174 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -24.882 -28.084 9.764 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -26.217 -28.765 12.149 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -27.030 -29.291 12.094 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -25.583 -29.362 12.580 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -20.295 -29.828 10.759 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -21.209 -29.927 11.115 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -20.228 -28.873 10.543 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -9.503 -16.430 1.478 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -9.575 -15.461 1.359 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -10.274 -16.665 2.020 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -8.982 -19.117 2.145 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -9.948 -19.043 1.985 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -8.696 -18.197 2.268 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -14.984 -22.245 1.940 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.710 -21.597 2.611 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -15.778 -22.671 2.329 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -13.013 -24.111 2.602 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -13.481 -24.335 3.437 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -13.616 -23.488 2.155 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -13.730 -29.971 2.303 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -13.584 -29.954 1.355 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -13.206 -30.741 2.612 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -15.128 -15.565 6.275 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.650 -15.118 6.976 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.600 -16.235 6.765 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -18.746 -14.687 9.905 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -18.773 -14.126 10.705 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.937 -14.067 9.175 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -16.384 -8.847 10.652 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -16.840 -9.720 10.534 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -16.910 -8.237 10.123 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.804 -11.096 10.263 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.131 -11.727 10.932 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -18.019 -11.523 9.407 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.392 -17.132 11.045 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -15.673 -16.991 10.382 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -15.910 -17.301 11.884 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.683 -28.492 6.462 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -18.997 -28.980 7.246 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.090 -29.129 6.014 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.200 -30.710 5.984 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.863 -31.486 5.488 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.911 -30.866 6.897 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -16.816 -29.572 2.898 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.713 -29.507 3.274 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -16.968 -29.710 1.949 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -27.277 -31.415 12.769 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -26.357 -31.326 13.095 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -27.350 -32.338 12.519 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -22.783 -29.700 11.792 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -22.841 -28.954 12.428 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -23.283 -29.379 11.000 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -21.077 -22.156 24.012 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -21.974 -21.805 23.807 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -20.987 -22.922 23.437 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -13.960 -14.229 23.330 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -14.051 -15.110 23.742 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -13.346 -14.375 22.584 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -23.524 -21.215 23.234 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -23.713 -20.274 23.146 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -24.381 -21.641 23.138 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -19.283 -12.455 16.195 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -19.300 -13.154 15.495 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -20.115 -12.573 16.658 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -12.485 -14.359 20.907 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -13.341 -14.461 20.470 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -12.007 -15.201 20.697 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.054 -18.089 23.146 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.767 -18.411 23.740 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -15.762 -18.900 22.667 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -18.221 -25.235 17.139 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -17.744 -24.619 17.736 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.118 -24.860 17.073 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.510 -29.347 13.731 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.137 -28.448 13.823 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -17.359 -29.572 12.807 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.513 -16.532 20.886 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -15.769 -16.939 21.737 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -15.305 -17.299 20.310 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -16.780 -23.670 18.925 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -17.196 -23.151 19.622 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -15.851 -23.793 19.243 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.884 -10.204 16.961 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.373 -10.641 17.670 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -18.468 -10.914 16.615 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -15.304 -14.786 17.012 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -15.365 -15.768 16.947 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.493 -14.600 17.952 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -15.892 -14.158 19.686 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -15.673 -15.015 20.131 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -16.791 -13.966 19.979 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.604 -31.234 25.277 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -20.461 -31.299 26.237 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -20.345 -32.115 24.936 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -15.369 -20.452 22.041 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -15.507 -21.013 22.829 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.013 -21.079 21.355 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -19.789 -28.425 27.150 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -19.860 -28.406 26.170 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -19.074 -27.798 27.348 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -15.606 -21.366 17.425 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -16.233 -22.101 17.440 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -15.171 -21.410 18.301 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -23.064 -27.803 13.727 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -22.263 -27.336 14.053 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -23.407 -28.273 14.518 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -15.897 -21.355 24.628 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -15.232 -20.970 25.230 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -16.650 -20.732 24.673 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -18.110 -30.012 22.735 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -17.347 -30.519 23.071 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -18.753 -30.709 22.456 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.682 -27.181 17.823 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -21.494 -26.295 17.458 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -20.888 -27.396 18.350 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -20.997 -24.809 16.461 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.403 -23.974 16.201 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -21.034 -25.357 15.647 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.972 -19.454 24.527 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -18.424 -19.943 25.259 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -18.651 -19.377 23.846 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.025 -26.142 23.637 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.936 -26.443 23.750 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -17.563 -26.476 24.440 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -15.578 -21.647 29.813 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -15.649 -21.381 30.753 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.780 -20.832 29.325 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.497 -14.415 14.442 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -18.640 -14.863 14.355 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.146 -15.076 14.111 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -13.720 -16.727 29.302 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -13.014 -16.074 29.509 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -14.211 -16.321 28.578 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.386 -16.667 24.742 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -14.967 -17.176 24.129 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -13.764 -17.324 25.078 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -15.550 -17.534 17.148 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -15.720 -18.179 16.434 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -15.508 -18.078 17.956 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -14.433 -12.093 26.698 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -14.349 -11.854 25.752 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -14.950 -12.904 26.693 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -14.983 -18.967 19.682 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -14.386 -19.585 19.237 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.276 -19.456 20.478 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -16.968 -27.147 25.944 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -17.157 -27.082 26.906 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -16.783 -28.103 25.800 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -20.696 -26.578 14.360 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -20.189 -26.337 13.574 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -20.041 -27.019 14.947 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -19.858 -28.729 24.414 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -20.335 -29.550 24.671 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -19.180 -29.042 23.783 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -19.455 -28.360 18.953 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -18.950 -27.979 19.711 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -19.629 -29.272 19.223 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -22.147 -29.855 17.560 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -22.045 -28.886 17.715 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -21.431 -30.071 16.921 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -9.656 -12.382 25.054 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -10.127 -12.704 25.842 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -8.800 -12.859 25.079 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -18.500 -13.025 12.165 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -17.853 -13.717 12.449 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.254 -13.146 12.774 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -17.278 -16.906 28.974 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.936 -16.546 28.128 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -17.701 -16.156 29.397 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.102 -17.034 13.518 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -14.178 -16.762 13.655 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.224 -17.794 14.130 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -15.623 -19.386 14.992 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -15.567 -20.114 15.640 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -16.106 -19.778 14.234 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -22.206 -18.730 12.567 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -22.969 -19.302 12.681 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -21.625 -19.221 11.957 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -15.874 -24.283 30.750 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.886 -23.502 30.168 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -15.939 -23.907 31.651 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.516 -21.090 25.986 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.746 -21.555 26.795 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -20.085 -21.505 25.298 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -17.681 -27.245 28.600 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.922 -27.107 29.213 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.367 -27.619 29.161 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.270 -24.103 24.897 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.901 -24.538 24.296 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.279 -23.163 24.619 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -16.231 -29.768 25.731 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -16.611 -30.340 26.430 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.228 -30.340 24.932 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -19.935 -31.004 27.961 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -19.919 -30.043 27.720 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -20.572 -31.054 28.682 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -7.437 -14.255 25.314 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -7.423 -15.069 24.767 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -6.506 -14.152 25.615 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -12.178 -10.929 27.675 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -13.082 -11.284 27.499 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -11.932 -10.487 26.836 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -12.392 -18.058 31.900 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -13.065 -18.435 32.496 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -12.904 -17.625 31.204 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -10.400 -12.608 20.332 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -11.125 -13.197 20.649 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -9.917 -12.354 21.154 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -16.273 -15.866 26.630 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.506 -16.048 26.048 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.008 -15.748 26.019 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -11.693 -10.293 25.009 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -12.440 -10.771 24.590 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -10.931 -10.896 24.900 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.094 -27.679 21.252 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -17.976 -27.013 21.958 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -18.059 -28.539 21.728 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -19.774 -33.743 24.449 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -18.906 -34.019 24.063 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -20.234 -34.573 24.608 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -12.641 -29.071 19.363 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -12.020 -29.255 20.088 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.733 -29.931 18.899 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -24.115 -29.420 15.719 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -23.467 -29.642 16.426 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -24.961 -29.375 16.180 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -20.145 -30.097 15.680 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -20.151 -30.272 14.732 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -19.707 -29.221 15.759 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -13.696 -28.362 31.871 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -12.969 -28.802 32.366 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -14.404 -29.042 31.840 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -11.053 -10.424 30.113 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -11.459 -10.550 29.225 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -11.472 -9.599 30.452 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -10.256 -26.652 39.688 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -9.283 -26.730 39.623 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -10.470 -25.855 39.157 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -16.294 -23.153 43.319 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.008 -22.438 43.894 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -17.249 -23.053 43.271 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -13.329 -28.460 41.810 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -14.248 -28.785 41.967 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -13.314 -27.577 42.235 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -13.672 -26.052 33.349 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -13.887 -26.512 34.186 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -13.644 -26.774 32.685 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -11.730 -14.888 29.850 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -11.916 -14.126 30.452 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -10.955 -15.317 30.247 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -13.228 -22.951 29.421 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -13.024 -23.223 30.336 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.024 -22.384 29.516 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -15.918 -26.993 30.664 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -15.035 -27.289 30.944 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -15.867 -26.007 30.699 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -13.206 -23.573 32.308 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -13.307 -24.508 32.597 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -14.075 -23.169 32.507 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -11.056 -23.061 34.055 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -11.701 -23.212 33.335 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -10.195 -23.281 33.659 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -10.296 -18.908 33.606 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -10.849 -19.527 34.098 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -10.890 -18.554 32.912 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.556 -18.737 29.944 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.794 -18.158 29.739 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -16.336 -18.219 29.634 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -11.839 -12.731 31.470 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -11.597 -11.886 31.040 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -11.640 -12.589 32.401 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -13.974 -19.066 33.962 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -13.425 -19.794 34.347 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -14.021 -18.411 34.665 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -12.432 -8.229 31.013 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -12.210 -7.407 31.461 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.394 -8.231 30.979 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.690 -20.251 32.218 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.749 -19.622 31.462 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.110 -19.791 32.865 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -12.513 -21.012 35.129 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -11.906 -21.709 34.791 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -12.985 -21.448 35.871 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -13.164 -23.413 39.549 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -13.778 -23.837 40.200 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.186 -22.460 39.786 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -14.790 -24.456 41.428 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.345 -25.138 41.969 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -15.395 -24.012 42.057 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.767 -22.847 33.085 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -15.880 -21.884 32.916 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.945 -22.945 34.033 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -13.164 -26.019 43.066 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -13.039 -25.927 44.014 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -12.334 -25.655 42.676 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -14.693 -24.490 35.515 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -14.301 -24.649 34.639 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -14.928 -25.379 35.833 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -12.044 -28.749 39.430 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -11.380 -28.029 39.492 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -12.579 -28.651 40.253 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -15.846 -29.377 42.105 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.808 -29.918 41.281 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.780 -29.345 42.321 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.195 -28.296 33.641 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.001 -29.140 33.184 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.523 -27.719 32.937 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -7.281 -8.168 -13.740 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -8.041 -7.574 -13.556 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -7.677 -9.048 -13.803 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -9.376 -3.677 -13.423 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -9.720 -3.164 -14.185 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -10.079 -3.589 -12.749 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -11.444 3.318 -6.792 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -10.964 2.471 -6.631 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -12.305 3.042 -7.113 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.356 -6.430 -4.351 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -15.220 -6.386 -3.885 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.791 -6.965 -3.747 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -9.932 1.114 -6.465 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -9.772 0.395 -7.105 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -9.040 1.383 -6.178 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -9.379 -6.426 -13.129 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -9.215 -5.467 -13.263 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -10.275 -6.561 -13.463 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -16.465 -6.279 -2.595 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.164 -5.643 -2.769 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -16.579 -6.507 -1.648 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -13.336 -11.521 -1.550 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.099 -11.724 -2.132 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.706 -11.579 -0.640 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.741 -5.366 -12.163 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.337 -5.833 -12.756 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.083 -5.581 -11.263 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -14.830 -6.077 -9.737 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.754 -6.232 -9.522 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -14.377 -6.082 -8.864 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -13.811 -6.129 -7.145 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -14.224 -6.189 -6.258 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -12.872 -6.221 -6.972 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -10.923 -2.148 -15.137 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -11.157 -1.225 -14.981 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -10.977 -2.248 -16.094 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -11.400 -9.877 -2.601 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -10.898 -9.682 -1.780 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -12.079 -10.531 -2.316 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.787 -11.252 -5.339 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.107 -10.355 -5.200 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -14.159 -11.759 -4.590 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.231 -12.494 -3.284 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.275 -13.238 -2.633 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.060 -12.563 -3.773 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -10.611 -7.326 4.946 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -10.707 -7.781 5.800 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -9.739 -6.883 5.010 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.475 -7.983 0.287 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.172 -8.664 0.353 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.964 -8.081 1.120 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -10.615 -9.028 7.336 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -10.997 -9.312 8.193 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -10.773 -9.775 6.750 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.751 -11.779 0.835 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.406 -11.074 0.650 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.280 -12.516 1.188 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -13.379 -12.305 4.818 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.766 -13.186 4.881 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -13.276 -12.023 5.738 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.895 -5.049 1.887 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -15.205 -5.392 2.509 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.396 -4.420 2.416 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -16.962 -6.826 0.080 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -16.558 -6.181 0.702 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.819 -7.061 0.505 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.883 -10.552 9.426 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -12.387 -11.158 8.846 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -12.576 -10.082 9.944 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -18.145 -12.688 8.014 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -17.319 -13.203 8.099 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -18.532 -13.001 7.166 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.703 -9.215 10.956 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.658 -9.042 10.783 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -13.369 -8.374 11.302 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -19.210 -7.519 1.468 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -19.251 -8.328 1.988 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -20.094 -7.142 1.541 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -13.922 -5.307 -0.012 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.855 -6.283 0.074 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.672 -5.067 0.573 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.875 -9.391 -0.257 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.291 -8.528 -0.047 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.868 -9.419 -1.222 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -13.222 -12.422 7.786 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -14.137 -12.612 8.040 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -12.884 -13.284 7.439 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.872 -5.916 3.436 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.518 -5.733 4.313 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.319 -6.657 3.106 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -8.600 -3.348 -5.780 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -9.403 -3.304 -6.310 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -8.293 -4.270 -5.883 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -16.443 -8.523 13.371 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -16.465 -8.462 12.394 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -16.710 -9.452 13.554 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.158 -11.040 13.025 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -15.137 -11.060 13.011 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -13.920 -10.460 12.275 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -7.869 -3.498 -1.488 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -8.075 -2.890 -2.224 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -8.506 -3.251 -0.786 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -9.652 -2.809 0.515 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -10.560 -2.860 0.131 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -9.646 -1.970 0.988 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -7.379 -5.804 -6.279 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -7.553 -6.274 -7.125 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -6.505 -5.380 -6.419 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -13.283 -4.446 -2.549 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.658 -4.916 -3.315 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -13.702 -4.878 -1.777 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -12.190 -2.966 -0.518 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -12.429 -3.207 -1.442 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -13.039 -2.929 -0.060 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -10.394 -10.551 11.970 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -10.860 -10.672 11.121 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -10.096 -9.606 11.943 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.040 -7.731 -2.392 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -12.436 -8.477 -2.577 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -13.213 -7.797 -1.429 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.910 -10.630 2.636 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.001 -11.219 3.415 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -13.461 -11.056 1.951 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.276 -14.674 8.596 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -15.614 -15.356 8.882 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -17.053 -14.845 9.164 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -18.769 -14.235 5.870 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -18.430 -14.186 4.968 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -18.870 -15.192 6.034 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.796 -14.586 1.425 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -15.588 -15.479 1.095 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -16.209 -14.745 2.289 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -16.854 -11.200 13.498 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -17.523 -11.717 13.013 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.725 -11.701 14.336 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -9.155 -7.001 19.151 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -9.626 -7.842 19.215 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -8.661 -6.940 19.997 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -11.251 -7.496 23.776 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -11.482 -6.673 24.216 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -11.583 -8.190 24.372 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -16.475 -8.029 16.115 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -16.544 -8.100 15.144 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -17.110 -8.706 16.448 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -14.735 -6.464 13.969 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -15.231 -5.997 14.649 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -15.335 -7.186 13.691 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.266 -7.147 17.231 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -11.875 -6.315 17.593 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.163 -7.185 17.630 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -14.801 -7.535 18.160 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -15.389 -7.669 17.373 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -15.341 -7.025 18.773 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -12.170 -7.207 14.443 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -12.139 -7.044 15.407 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -13.038 -6.833 14.166 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -11.397 -9.793 14.487 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -11.587 -8.833 14.333 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -11.050 -10.108 13.626 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -16.017 -11.608 18.423 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.808 -12.431 18.905 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -15.201 -11.071 18.496 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -13.727 -10.088 18.209 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -13.005 -10.117 18.884 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -14.057 -9.162 18.253 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -9.011 -11.582 22.418 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -9.297 -10.645 22.334 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -9.217 -11.813 23.350 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -11.777 -10.193 20.138 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -11.374 -11.080 20.189 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -11.256 -9.660 20.768 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.930 -11.629 24.003 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -14.312 -11.211 23.223 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -13.932 -12.595 23.784 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -16.042 -12.481 15.740 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -15.845 -13.409 16.006 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -16.464 -12.096 16.531 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -14.469 -35.307 5.916 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -15.041 -35.018 6.649 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -13.703 -35.737 6.361 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -9.806 -33.600 2.992 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -10.273 -34.467 3.007 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -9.593 -33.427 3.930 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -11.362 -35.832 3.346 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -11.169 -36.484 4.026 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -12.193 -36.155 2.934 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 2.322 -30.435 7.869 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 1.390 -30.617 7.714 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 2.396 -29.454 7.771 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -7.375 -37.911 10.104 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -7.776 -37.182 9.621 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -6.523 -37.547 10.422 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 3.511 -32.512 6.558 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 4.472 -32.365 6.416 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 3.269 -31.870 7.257 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 3.710 -29.838 5.297 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 3.044 -29.109 5.369 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 3.285 -30.593 5.739 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -8.864 -32.952 5.531 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -8.650 -32.972 6.490 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -8.006 -33.155 5.096 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -3.062 -32.778 7.632 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -2.751 -32.046 7.056 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -2.659 -33.562 7.252 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -5.151 -36.452 11.022 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -4.598 -36.603 11.803 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -5.570 -35.582 11.191 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -9.155 -34.924 9.879 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -8.971 -34.836 10.825 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -9.984 -35.420 9.843 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -11.435 -29.110 9.299 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -11.256 -30.063 9.250 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -10.840 -28.790 9.985 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -11.120 -33.786 6.934 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -11.154 -33.098 7.624 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -10.455 -33.454 6.299 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -5.476 -32.683 9.008 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -5.670 -31.808 8.624 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -4.574 -32.890 8.678 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 2.890 -32.956 -1.214 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 3.268 -33.137 -0.353 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 2.975 -32.006 -1.317 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -4.933 -30.911 2.041 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -4.667 -31.143 1.145 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -5.817 -31.332 2.144 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.747 -33.600 13.044 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -8.651 -33.154 13.904 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -9.705 -33.836 13.002 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 0.615 -36.449 12.397 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -0.252 -36.364 11.927 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 1.001 -37.253 12.032 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -11.635 -39.320 10.222 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -10.776 -39.744 10.438 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -11.799 -38.716 10.978 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 1.927 -33.954 12.285 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 2.408 -34.093 13.129 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 1.387 -34.762 12.186 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -6.671 -30.507 7.532 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -7.188 -29.745 7.818 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -7.318 -31.236 7.495 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -4.056 -32.483 4.260 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -4.244 -31.878 3.517 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -3.350 -32.032 4.764 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 3.490 -31.927 11.335 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 2.939 -32.708 11.566 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 3.470 -31.899 10.372 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 7.701 -28.153 5.321 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 8.493 -28.154 5.895 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 6.966 -28.403 5.925 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -1.789 -36.282 11.163 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -2.367 -36.203 11.953 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -2.405 -36.313 10.422 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -10.521 -40.961 15.122 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -11.443 -41.186 14.890 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -10.587 -40.088 15.557 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -12.152 -27.518 3.480 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -11.632 -28.348 3.579 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -11.678 -27.019 2.782 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -12.182 -32.129 3.067 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -11.381 -32.657 2.862 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -12.872 -32.804 3.252 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 10.334 -29.019 9.467 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 9.582 -28.675 10.000 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 10.786 -29.623 10.060 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 5.943 -32.551 5.281 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 6.435 -32.111 4.586 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 5.387 -33.203 4.808 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 3.050 -34.458 14.743 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 3.021 -33.796 15.459 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 2.353 -35.103 14.986 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 3.871 -34.161 4.421 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 3.346 -34.962 4.474 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 3.538 -33.604 5.160 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -12.255 -36.238 7.183 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -12.318 -36.290 8.162 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -11.765 -35.396 7.019 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -11.763 -38.944 7.409 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -11.871 -37.988 7.238 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -11.619 -39.000 8.376 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 3.900 -27.838 0.843 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 4.178 -26.901 0.888 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 4.321 -28.248 1.625 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -8.043 -33.055 8.131 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -8.543 -33.678 8.706 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -7.118 -33.126 8.455 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -10.809 -29.877 3.910 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -11.349 -30.635 3.603 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -9.976 -30.277 4.180 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.197 -32.518 2.268 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -8.141 -32.738 2.171 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -6.917 -33.023 3.055 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -6.419 -33.744 4.633 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -5.573 -33.237 4.561 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -6.145 -34.610 4.953 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 3.911 -30.602 13.701 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 4.506 -31.273 14.079 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 3.746 -30.921 12.787 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -3.388 -34.767 19.791 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -3.769 -34.501 20.660 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -4.168 -34.828 19.196 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -1.078 -35.296 21.097 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -1.399 -35.027 21.977 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -1.879 -35.257 20.529 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 6.257 -32.651 21.924 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 6.166 -32.937 20.983 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 5.478 -33.057 22.373 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -7.911 -33.033 22.690 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -7.195 -32.414 22.912 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -7.536 -33.910 22.899 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 1.418 -34.722 22.998 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 1.370 -34.652 22.025 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 0.495 -34.764 23.279 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 1.194 -34.202 20.229 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 0.355 -34.654 20.491 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 1.226 -34.310 19.257 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -4.477 -34.645 28.214 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -5.428 -34.692 28.363 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -4.389 -34.612 27.235 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -6.574 -32.527 27.098 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -6.789 -31.955 26.334 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -6.358 -31.885 27.817 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -8.885 -32.862 15.887 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -9.866 -32.769 15.852 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -8.658 -32.625 16.804 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 0.091 -31.590 26.719 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -0.641 -31.873 27.276 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -0.298 -31.545 25.815 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 3.868 -33.490 22.947 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 3.439 -32.842 22.351 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 3.140 -34.100 23.191 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 0.875 -34.383 17.468 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 0.878 -35.041 16.744 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -0.080 -34.156 17.579 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -8.144 -35.441 18.454 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -8.561 -34.635 18.810 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -8.565 -36.176 18.962 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 2.120 -33.699 30.861 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 2.319 -34.011 31.748 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 1.380 -34.282 30.563 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -3.655 -31.973 28.413 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -4.457 -31.424 28.554 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -4.001 -32.881 28.316 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 5.447 -32.941 14.113 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 6.232 -33.273 13.614 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 4.792 -33.661 14.035 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -8.697 -34.749 25.396 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -8.836 -33.796 25.238 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -8.025 -35.005 24.736 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -9.912 -29.117 27.054 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -8.951 -29.214 27.276 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.947 -29.245 26.100 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -9.214 -31.905 25.619 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -8.422 -31.351 25.452 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -9.292 -31.924 26.592 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 3.244 -28.650 30.986 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 3.560 -29.120 30.185 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 3.901 -28.886 31.676 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -4.545 -36.648 16.310 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -5.146 -36.356 15.600 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -4.793 -36.092 17.077 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 6.629 -35.807 27.041 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 6.552 -36.715 27.350 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 6.491 -35.865 26.090 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -6.397 -35.138 23.704 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -5.939 -35.025 24.557 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.716 -34.897 23.040 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -1.950 -36.109 15.722 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -1.835 -35.355 16.344 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -2.782 -36.539 16.027 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -0.161 -35.045 30.374 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -0.894 -35.689 30.368 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -0.586 -34.203 30.122 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 2.781 -32.584 16.841 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 2.127 -33.204 17.244 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 2.223 -31.864 16.464 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -10.185 -38.417 16.231 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -10.388 -37.764 15.522 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -9.248 -38.276 16.419 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -5.478 -34.738 18.086 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -5.475 -33.936 17.538 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -6.426 -34.902 18.274 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -1.861 -34.240 23.537 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -2.751 -34.151 23.102 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -2.068 -34.508 24.442 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 0.710 -35.921 15.117 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 0.743 -36.141 14.163 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -0.227 -36.088 15.365 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 2.754 -31.317 26.990 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.035 -32.011 26.377 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 1.765 -31.391 27.000 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 6.198 -29.825 16.504 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 7.014 -29.821 15.970 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 6.046 -30.770 16.704 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -7.868 -29.310 22.776 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -7.267 -28.580 23.025 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -7.664 -30.008 23.419 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -5.939 -35.518 14.177 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -6.119 -34.968 13.388 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -6.787 -35.513 14.671 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -1.831 -34.122 17.576 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -2.315 -34.327 18.405 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -2.420 -33.474 17.109 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -12.191 -35.705 18.705 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -12.450 -35.547 17.773 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -12.052 -36.669 18.752 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -8.188 -35.456 15.759 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -8.142 -35.616 16.730 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -8.413 -34.501 15.688 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 2.772 -29.756 22.818 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 2.471 -30.540 22.310 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 3.742 -29.741 22.676 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -12.896 -31.314 30.885 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -13.732 -31.299 30.386 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -12.226 -31.004 30.237 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -3.535 -33.509 31.714 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.064 -32.683 31.616 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -3.639 -33.747 32.639 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -1.148 -31.578 24.284 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -1.407 -32.404 23.832 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -1.529 -30.875 23.738 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -2.660 -33.373 13.772 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -3.079 -33.181 14.652 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -3.032 -34.234 13.517 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.330 -34.057 11.762 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.117 -33.431 11.050 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.207 -33.759 12.094 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -3.420 -36.042 13.361 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -2.822 -36.170 14.132 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -4.314 -35.943 13.765 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 6.431 -29.576 27.213 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 6.608 -29.933 26.319 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 7.025 -30.091 27.797 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 6.647 -33.422 28.467 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 6.677 -34.286 28.007 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 5.693 -33.300 28.684 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 2.411 -31.914 21.172 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 1.923 -32.687 20.808 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 2.746 -31.444 20.372 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -10.106 -35.153 27.682 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -10.394 -36.068 27.701 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -9.622 -35.070 26.826 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -4.799 -33.942 25.613 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -4.723 -33.417 24.777 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -5.420 -33.417 26.165 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -6.787 -30.790 24.865 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -6.397 -29.934 25.121 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -6.057 -31.253 24.379 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 3.072 -28.922 25.429 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 2.962 -29.699 26.003 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 2.887 -29.261 24.528 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -10.409 -31.999 23.214 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -9.665 -32.481 22.796 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -10.155 -31.953 24.161 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 3.233 -30.605 18.931 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 3.235 -31.194 18.160 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 3.663 -29.786 18.610 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 3.999 -33.067 28.959 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 3.370 -33.319 29.668 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 3.533 -32.377 28.461 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -6.611 -28.823 41.094 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -6.454 -29.529 40.439 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -7.052 -29.284 41.842 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -11.360 -33.172 41.839 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -11.439 -32.236 42.148 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -12.248 -33.529 41.941 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -1.898 -28.224 35.989 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -1.461 -28.604 35.193 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -2.815 -28.549 35.934 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 0.552 -28.690 31.158 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 0.465 -29.634 30.880 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 1.527 -28.559 31.234 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -6.905 -30.784 36.724 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -6.647 -30.909 37.668 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -7.171 -31.678 36.429 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -8.801 -29.590 35.216 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -9.549 -30.057 35.651 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -8.017 -29.859 35.744 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -1.583 -32.708 29.964 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -2.167 -32.994 30.699 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -2.209 -32.368 29.285 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -7.905 -33.072 35.295 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -8.887 -33.082 35.342 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -7.670 -33.986 35.104 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -10.801 -30.999 36.477 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.801 -31.883 36.058 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -10.915 -31.190 37.440 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -7.042 -31.172 33.444 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -7.257 -31.891 34.068 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -7.552 -30.415 33.775 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -2.851 -35.773 30.191 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -3.103 -35.061 30.805 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -3.350 -35.570 29.378 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 0.646 -31.306 30.535 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -0.181 -31.781 30.303 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 1.308 -32.016 30.631 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -4.981 -31.190 31.622 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -5.772 -31.194 32.212 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -5.356 -31.059 30.720 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -8.810 -33.973 42.305 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -9.716 -33.638 42.091 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -8.811 -34.877 41.976 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -8.218 -32.546 44.588 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -8.419 -33.126 43.824 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -8.477 -33.066 45.354 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -5.950 -31.014 39.271 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -5.034 -30.844 39.579 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -6.327 -31.607 39.964 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -6.764 -32.250 41.501 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -7.105 -31.532 42.071 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -7.325 -33.015 41.727 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -7.904 -30.320 43.063 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -7.869 -31.038 43.738 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -8.738 -29.853 43.263 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -3.526 -29.574 33.401 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -3.922 -30.223 32.786 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -4.243 -28.930 33.560 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -9.184 -32.669 28.329 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -9.558 -33.573 28.221 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -8.244 -32.770 28.087 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -8.158 -13.336 -7.803 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -8.089 -13.149 -6.846 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -7.374 -13.867 -7.995 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -9.081 -20.308 -3.700 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.614 -19.918 -4.428 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.732 -20.725 -3.129 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -9.494 -12.137 -9.886 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -9.088 -12.574 -9.101 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -10.414 -11.944 -9.603 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 2.457 -13.811 -10.109 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 2.440 -13.499 -11.042 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 3.044 -14.577 -10.126 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.646 -18.167 -7.326 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.975 -17.245 -7.318 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -9.285 -18.649 -6.765 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -0.223 -5.836 -5.856 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -0.354 -5.333 -5.018 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -0.154 -6.777 -5.564 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -6.026 -18.706 -7.579 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -5.949 -18.852 -8.528 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -6.993 -18.534 -7.440 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -2.920 -16.838 -3.111 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -1.967 -16.841 -2.894 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -3.091 -17.758 -3.421 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 2.505 -11.166 -9.436 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 2.644 -12.130 -9.550 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 1.842 -10.940 -10.120 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -1.378 -12.269 -9.947 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -0.731 -11.908 -10.585 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -0.854 -12.902 -9.407 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 1.393 -11.271 -6.903 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 1.977 -11.077 -7.665 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 1.829 -10.824 -6.147 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -12.065 -11.124 -9.370 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -11.690 -10.239 -9.566 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -12.951 -11.095 -9.750 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -3.979 -12.120 -4.513 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -3.809 -13.069 -4.727 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -4.917 -12.000 -4.711 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 0.359 -13.479 -8.238 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 1.078 -13.780 -8.831 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 0.802 -12.862 -7.620 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -7.446 -13.138 -5.089 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -7.297 -14.111 -5.070 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -8.118 -12.988 -4.379 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -3.573 -14.815 -4.874 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -4.139 -15.297 -5.527 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -3.311 -15.510 -4.233 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -7.112 -18.477 -4.239 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -7.822 -19.119 -4.018 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -6.366 -19.037 -4.523 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -0.281 -17.532 -2.812 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -0.568 -18.343 -3.261 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 0.604 -17.761 -2.448 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -5.040 -19.998 -5.331 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -5.312 -20.896 -5.558 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -5.265 -19.470 -6.132 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -0.887 -23.812 -4.364 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -0.148 -24.376 -4.037 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -1.130 -24.206 -5.204 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -9.560 -15.601 -6.857 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -9.374 -14.837 -7.430 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -10.226 -15.264 -6.219 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -3.904 -12.520 -9.007 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -3.655 -12.976 -8.178 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -3.045 -12.385 -9.466 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -2.258 -13.476 -6.982 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -2.552 -14.072 -6.266 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -1.367 -13.798 -7.212 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -8.942 -12.882 -12.468 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -9.179 -12.699 -11.533 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -9.633 -13.479 -12.774 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -8.193 -9.985 -10.982 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.600 -10.754 -10.522 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -7.754 -10.381 -11.764 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 0.602 -11.067 -11.456 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 1.203 -11.629 -11.991 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 0.133 -10.512 -12.124 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -1.126 -10.601 -7.691 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -0.216 -10.824 -7.383 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -1.384 -11.363 -8.247 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 2.599 -12.627 -12.621 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 3.278 -11.917 -12.754 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 2.637 -13.143 -13.436 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -4.907 -12.320 -11.516 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -4.728 -12.343 -10.547 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.639 -13.195 -11.824 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 0.537 -12.256 -3.507 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -0.137 -11.933 -4.143 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 0.256 -13.171 -3.304 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.793 -26.855 3.130 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 1.049 -25.900 3.190 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 1.254 -27.271 3.898 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -1.635 -22.008 0.221 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.228 -22.835 0.555 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.565 -22.084 -0.755 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -0.957 -21.902 -2.437 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -0.062 -22.118 -2.105 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -1.093 -22.533 -3.180 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 0.638 -20.254 -0.242 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -0.287 -20.557 -0.180 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 1.125 -21.052 -0.537 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 2.093 -18.362 -1.642 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.535 -19.026 -1.179 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 2.995 -18.591 -1.382 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 3.305 -12.414 -3.157 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 2.371 -12.312 -3.427 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 3.349 -13.318 -2.794 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -1.210 -13.778 -0.054 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -1.705 -13.315 -0.763 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -0.976 -13.066 0.583 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 1.358 -22.831 -1.205 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 1.382 -23.644 -1.738 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 1.847 -23.073 -0.383 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 1.202 -27.925 0.649 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 2.183 -27.995 0.603 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 1.028 -27.616 1.561 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -2.860 -19.505 -3.592 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -3.568 -19.779 -4.212 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -2.445 -20.341 -3.317 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -11.687 -18.481 1.813 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -12.082 -18.199 0.962 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -12.415 -18.942 2.274 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -4.472 -21.756 0.075 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -3.531 -21.950 0.248 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -4.902 -21.874 0.929 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 0.663 -25.768 -0.897 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 0.212 -25.219 -0.231 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 0.811 -26.628 -0.439 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 6.365 -14.627 0.279 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 6.090 -15.495 -0.104 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 7.151 -14.386 -0.226 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -7.079 -20.978 1.380 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -7.523 -21.850 1.450 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -7.759 -20.338 1.676 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 2.748 -14.929 -2.024 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.940 -15.878 -2.017 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 1.796 -14.878 -2.252 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 2.119 -11.558 0.733 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 2.739 -12.224 0.359 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 2.695 -10.948 1.226 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 5.702 -16.978 -0.970 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 5.931 -17.339 -1.830 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 5.652 -17.771 -0.382 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -2.763 -12.781 -2.122 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -3.024 -13.693 -2.329 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -3.011 -12.277 -2.925 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 1.160 -25.376 -3.482 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.920 -25.591 -2.546 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 1.815 -26.038 -3.714 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -0.569 -24.412 1.292 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 0.157 -24.331 1.947 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -1.139 -25.116 1.655 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -4.575 -29.439 5.634 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -5.276 -29.800 6.212 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -4.468 -28.512 5.930 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -1.893 -26.261 3.017 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -1.003 -26.677 3.073 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -2.516 -27.025 3.043 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -14.031 -19.526 -2.076 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -14.316 -19.857 -1.198 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -14.672 -19.895 -2.688 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -1.492 -10.948 -4.979 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -2.380 -11.315 -4.797 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -1.451 -10.901 -5.957 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -0.238 -12.162 1.880 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 0.628 -11.979 1.440 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -0.105 -11.842 2.801 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 0.013 -14.825 -2.401 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.427 -14.673 -1.544 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -0.178 -15.767 -2.608 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -5.153 -16.293 -6.479 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -5.992 -16.140 -5.997 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -5.294 -17.142 -6.939 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -4.016 -12.222 0.220 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -3.601 -12.056 -0.649 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -4.261 -13.163 0.181 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 9.030 -12.678 2.941 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 9.534 -11.886 3.145 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 9.694 -13.405 2.996 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 5.593 -19.253 0.523 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 6.167 -19.223 1.318 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 5.321 -20.199 0.460 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 4.922 -21.919 0.590 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 4.099 -22.416 0.741 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 5.630 -22.561 0.800 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 2.693 -23.644 1.029 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 3.391 -24.339 1.029 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 2.252 -23.757 1.897 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 4.685 -25.347 1.663 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 4.576 -25.498 2.621 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 5.501 -24.803 1.596 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 7.240 -29.804 12.771 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 7.692 -29.825 13.642 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 6.793 -30.659 12.717 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 0.037 -29.657 4.775 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 0.085 -29.665 3.814 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 0.738 -29.026 5.045 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -11.136 -25.764 1.590 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -11.779 -25.124 1.980 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -10.949 -25.408 0.718 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 4.304 -27.046 9.081 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 3.505 -27.275 8.537 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 3.941 -26.629 9.865 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 4.144 -26.175 4.361 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 3.776 -25.244 4.408 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 3.431 -26.730 4.748 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 5.009 -28.550 3.254 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 4.614 -29.180 3.896 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 4.826 -27.669 3.643 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -12.761 -31.154 -3.984 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -12.375 -31.882 -4.472 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -12.775 -30.428 -4.609 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -2.228 -30.944 5.731 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -1.409 -30.482 5.437 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -2.930 -30.263 5.651 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -3.682 -28.481 3.147 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -3.992 -28.742 4.035 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -4.064 -29.156 2.559 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 3.800 -13.642 0.144 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 4.739 -13.929 0.166 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 3.424 -14.121 -0.626 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 0.273 -15.399 31.200 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -0.360 -15.221 31.925 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -0.175 -15.059 30.402 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -2.050 -17.350 28.258 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -2.982 -17.529 28.512 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -1.815 -16.565 28.769 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 6.205 -15.151 32.119 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 6.948 -15.772 31.993 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 5.540 -15.673 32.607 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 1.817 -12.411 31.170 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 1.498 -12.755 32.031 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 2.782 -12.577 31.194 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 8.719 -21.938 26.277 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 9.052 -21.236 25.682 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 9.483 -22.147 26.848 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 6.196 -12.683 12.192 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 5.954 -12.112 11.432 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 6.856 -12.151 12.688 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -7.437 -16.752 24.111 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -6.770 -17.406 23.823 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -7.769 -17.108 24.966 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -10.869 -13.364 27.631 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -11.311 -13.917 28.309 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -11.306 -12.489 27.716 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -3.655 -15.830 34.251 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -3.539 -16.682 34.711 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -4.121 -15.273 34.901 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 2.529 -12.352 26.169 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 3.100 -11.597 26.446 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 2.170 -12.703 27.010 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 4.809 -19.273 30.063 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 4.445 -18.412 29.823 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 5.129 -19.150 30.987 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 6.174 -21.796 27.162 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 5.538 -21.671 26.423 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 7.055 -21.838 26.714 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 5.201 -29.260 32.804 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 5.929 -29.913 32.748 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 4.874 -29.345 33.726 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 7.958 -23.831 28.872 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 7.617 -23.192 28.231 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 7.699 -23.461 29.740 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 4.017 -29.268 28.443 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 3.533 -30.010 28.025 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 4.910 -29.299 28.021 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -8.125 -17.390 26.748 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -7.909 -18.041 27.425 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.365 -16.590 27.251 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -4.990 -13.997 26.603 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -5.169 -13.622 27.483 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -4.017 -14.083 26.576 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -6.929 -15.310 21.678 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -6.024 -15.641 21.696 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -7.363 -15.760 22.433 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 0.463 -25.947 30.873 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 0.345 -26.920 30.840 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 1.072 -25.809 31.635 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 4.569 -12.983 31.411 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 5.109 -13.807 31.462 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 4.900 -12.442 32.136 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -0.632 -21.934 37.680 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -0.962 -22.628 37.098 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -1.226 -21.980 38.467 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -13.889 -22.384 37.084 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -13.712 -22.856 37.925 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -14.265 -23.077 36.497 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -13.256 -20.700 39.275 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -13.340 -19.745 39.283 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -13.486 -20.955 38.362 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.998 -28.101 39.001 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.834 -28.930 39.499 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -4.193 -28.407 38.088 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 0.115 -28.975 38.683 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 0.670 -28.182 38.586 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -0.292 -29.086 37.815 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -10.903 -24.291 38.422 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -10.173 -23.651 38.597 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -11.680 -23.909 38.901 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -5.895 -23.129 40.786 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -5.046 -23.492 41.117 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -5.625 -22.378 40.215 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.104 -26.765 43.577 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.795 -26.254 43.110 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -8.280 -26.340 43.315 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 1.619 -18.548 36.047 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 0.707 -18.354 36.337 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 1.763 -19.476 36.321 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -8.570 -23.081 38.976 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -7.825 -22.477 38.876 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -8.448 -23.465 39.865 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -5.005 -21.575 33.593 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -4.366 -21.937 32.959 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -5.494 -20.915 33.087 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -1.546 -26.442 41.596 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -2.456 -26.717 41.803 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -1.567 -26.249 40.637 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 1.963 -16.143 34.793 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 2.023 -17.070 35.115 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 1.219 -15.767 35.304 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 1.091 -26.111 35.704 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 1.301 -26.252 36.649 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 0.175 -25.763 35.717 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.006 -21.174 39.099 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -4.890 -20.237 39.289 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.062 -21.216 38.109 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -0.402 -15.606 36.081 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -0.893 -14.949 36.598 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -0.575 -16.457 36.541 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 1.877 -28.657 34.888 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 1.092 -29.052 34.469 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 1.586 -27.758 35.136 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -5.178 -21.004 36.401 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -5.055 -21.337 35.489 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -5.508 -20.093 36.278 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 5.802 -18.747 32.539 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 5.188 -18.065 32.895 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 6.657 -18.273 32.444 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 1.220 -13.592 33.631 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 1.756 -14.353 33.928 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 0.336 -13.978 33.459 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -1.179 -14.940 33.547 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -0.838 -15.280 34.406 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -2.113 -15.244 33.527 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -4.354 -26.872 41.398 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -4.202 -27.242 40.501 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -5.064 -27.427 41.762 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -8.177 -24.485 41.350 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -7.360 -23.936 41.398 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -7.900 -25.278 40.842 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -2.539 -22.346 39.554 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -2.771 -23.047 40.195 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -3.391 -21.918 39.354 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 0.853 -26.281 38.504 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 1.204 -25.872 39.303 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -0.120 -26.270 38.636 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -1.905 -26.231 38.882 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -2.612 -26.910 38.839 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -1.915 -25.819 37.993 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -3.441 -24.276 41.352 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -3.872 -25.160 41.362 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -2.578 -24.433 41.764 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 1.975 -25.482 33.051 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 2.762 -24.901 33.093 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 1.806 -25.725 33.985 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 8.001 -23.752 35.305 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 7.276 -24.200 34.820 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 7.654 -22.851 35.473 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 4.122 -16.691 33.131 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 3.419 -16.487 33.785 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 3.732 -16.415 32.268 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -6.118 -18.402 36.458 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -6.567 -18.305 35.577 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -6.837 -18.312 37.093 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -1.003 -18.139 37.003 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -1.947 -17.926 36.813 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -1.049 -18.912 37.581 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 1.912 -21.096 37.020 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 1.002 -21.249 37.370 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 2.255 -21.984 36.871 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -3.577 -17.318 36.649 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -4.445 -17.779 36.607 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -3.809 -16.391 36.875 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -1.588 -25.540 36.207 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -1.672 -26.520 36.126 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -2.290 -25.192 35.612 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -2.075 -13.227 35.796 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -2.049 -13.488 34.863 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -1.369 -12.544 35.869 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -3.673 -30.389 40.619 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -3.854 -30.933 41.396 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.772 -30.014 40.792 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -4.164 -14.599 36.806 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -3.397 -14.024 36.570 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -4.782 -14.000 37.239 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -7.414 -26.593 39.797 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -6.657 -26.443 39.216 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -7.165 -27.401 40.310 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -7.690 -18.141 34.281 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -8.591 -18.473 34.076 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -7.524 -17.464 33.585 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -4.618 -15.984 31.651 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -4.404 -15.113 31.234 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -4.238 -15.919 32.550 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 2.965 -15.863 30.816 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 2.836 -16.074 29.875 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 2.077 -15.574 31.115 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 5.702 -21.405 33.237 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 6.114 -21.366 34.125 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 5.637 -20.463 32.964 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 0.131 -11.689 35.352 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 0.656 -10.886 35.380 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 0.626 -12.280 34.747 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 4.487 -19.868 36.353 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 4.228 -18.966 36.124 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 3.670 -20.268 36.702 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 6.853 -21.177 35.735 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 5.990 -20.775 35.998 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 7.511 -20.635 36.183 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 4.807 -22.011 29.649 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 4.700 -21.062 29.881 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 5.277 -21.993 28.790 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 6.420 -27.295 36.082 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 6.987 -26.763 36.691 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 6.991 -28.052 35.829 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 4.230 -23.759 32.782 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 4.841 -24.326 33.302 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 4.587 -22.854 32.906 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 6.014 -25.365 34.147 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 6.023 -25.994 34.902 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 6.187 -25.930 33.365 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -10.120 -29.167 44.269 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -9.794 -28.264 44.032 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -10.089 -29.184 45.230 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -10.778 -25.253 42.014 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -10.762 -25.808 41.206 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -10.048 -24.616 41.878 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 6.472 -27.021 31.943 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 7.038 -27.576 31.356 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 5.804 -27.655 32.283 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -11.734 -30.605 42.550 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -12.380 -29.916 42.287 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -11.154 -30.151 43.197 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -1.327 -29.179 41.033 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -0.744 -29.235 40.244 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -1.115 -28.312 41.423 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.485 -29.374 36.621 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.027 -30.224 36.631 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -5.421 -29.612 36.460 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -0.752 -29.178 33.672 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -0.317 -29.042 32.807 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -1.672 -29.432 33.441 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -7.289 -16.247 32.331 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -6.366 -16.178 32.015 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -7.791 -15.652 31.741 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.276 -13.710 30.260 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -5.126 -13.439 29.863 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -3.633 -13.048 29.918 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.710 -14.570 30.497 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.731 -13.603 30.593 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.629 -14.713 29.536 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.359 1.980 -14.402 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -1.849 2.493 -13.748 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -2.010 1.069 -14.321 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -5.722 -3.840 -10.591 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -6.640 -3.830 -10.255 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -5.826 -3.810 -11.564 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -6.158 -4.984 -15.627 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -5.382 -4.914 -16.228 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -6.897 -5.162 -16.217 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 2.317 5.504 -16.063 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 1.647 4.843 -15.795 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 1.851 6.080 -16.677 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 7.808 -6.029 -11.447 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 7.378 -6.804 -11.037 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 8.383 -5.671 -10.742 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -4.037 -4.907 -17.369 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -3.887 -5.799 -17.714 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -3.250 -4.400 -17.672 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -4.810 -10.282 -14.724 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.649 -10.436 -14.242 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -4.850 -10.895 -15.466 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -1.655 -3.832 -15.426 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -0.966 -4.396 -15.030 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -2.477 -4.311 -15.257 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 6.262 -8.060 -10.223 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 5.493 -8.444 -9.737 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 7.030 -8.262 -9.650 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -6.454 -7.830 -11.056 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -6.363 -7.579 -11.992 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.124 -8.547 -11.067 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -0.061 -1.168 -16.089 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 0.393 -0.447 -16.553 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 0.561 -1.929 -16.161 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 2.820 -6.806 -14.171 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 3.380 -7.307 -13.540 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 2.959 -7.253 -15.015 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -6.881 -11.231 -13.071 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -6.156 -11.646 -12.550 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -7.609 -11.899 -13.042 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 4.451 -10.745 -13.156 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 4.345 -9.810 -12.874 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 5.368 -10.801 -13.443 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -1.028 -9.427 -12.855 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -1.230 -9.352 -13.814 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -1.909 -9.521 -12.438 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 0.900 1.484 -16.679 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 0.950 2.242 -16.055 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 0.042 1.594 -17.109 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 2.575 0.096 -14.465 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 3.547 0.203 -14.571 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 2.201 0.614 -15.193 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.874 -3.428 -18.204 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.579 -3.324 -17.275 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -1.324 -2.777 -18.705 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -1.996 -5.924 -19.376 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -2.019 -5.799 -20.330 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -1.819 -5.026 -19.019 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -2.008 -0.738 -14.267 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -2.854 -1.235 -14.249 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -1.590 -1.003 -15.118 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -4.665 0.942 -13.410 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -4.679 0.041 -13.805 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -3.951 1.408 -13.901 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.864 -6.806 -13.995 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -5.569 -7.483 -13.975 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -5.262 -6.068 -14.493 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 1.918 -0.493 -18.425 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 2.850 -0.697 -18.266 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 1.782 0.365 -17.984 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -5.679 3.575 -7.695 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -4.823 3.899 -8.049 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -6.196 3.377 -8.482 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -11.000 -2.382 -10.007 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -11.751 -2.582 -9.434 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -11.304 -2.653 -10.904 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 8.551 0.667 -9.208 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 8.678 0.179 -10.048 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 8.101 1.493 -9.480 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 4.877 -5.711 -8.739 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 4.782 -6.382 -9.427 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 5.838 -5.675 -8.567 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -9.484 -0.576 -8.610 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.241 0.179 -9.198 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -10.111 -1.105 -9.147 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -3.712 -9.850 -12.130 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -3.999 -10.757 -11.904 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -4.005 -9.733 -13.056 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -7.565 -6.997 -8.721 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -6.938 -7.194 -9.454 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -8.355 -6.634 -9.182 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -1.624 -8.046 -17.724 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -1.825 -7.258 -18.278 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -0.873 -8.453 -18.162 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.370 -5.373 -14.259 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -0.408 -5.957 -14.101 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 1.144 -5.964 -14.132 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -2.238 -9.031 -15.281 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -3.168 -9.332 -15.291 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -2.069 -8.735 -16.208 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 0.302 -7.071 -11.700 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -0.074 -7.720 -12.323 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 0.054 -7.419 -10.820 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -2.101 -6.564 -14.097 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -2.013 -7.430 -14.543 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -3.059 -6.506 -13.889 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -6.540 -3.518 -13.296 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -6.383 -4.086 -14.079 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -7.515 -3.501 -13.207 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 8.032 -2.721 -8.545 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 8.491 -2.576 -7.689 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 7.798 -1.830 -8.839 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -4.597 -1.680 -14.159 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -5.250 -2.294 -13.759 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -4.651 -1.870 -15.127 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -4.506 -2.192 -16.808 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -3.980 -1.733 -17.472 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -4.507 -3.120 -17.104 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 0.238 1.196 -12.241 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 1.165 1.356 -11.933 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -0.080 2.081 -12.506 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 1.981 2.243 -8.653 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 1.882 1.382 -8.176 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.093 2.888 -7.945 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -10.514 -8.861 -9.895 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.808 -9.160 -10.500 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -10.118 -8.962 -9.002 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -7.227 1.120 -12.581 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -7.591 0.758 -13.393 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -6.263 1.184 -12.760 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 1.744 -7.447 -8.477 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 0.979 -7.949 -8.838 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 1.407 -7.065 -7.652 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 1.580 -3.195 -15.455 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 1.104 -4.020 -15.240 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 2.477 -3.337 -15.084 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 7.977 3.226 -13.088 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 7.339 3.181 -13.829 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 8.852 3.137 -13.522 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -7.449 2.330 -5.914 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -6.764 2.739 -6.482 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -8.057 3.076 -5.702 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -0.827 -0.437 -6.943 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 0.144 -0.475 -7.060 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -1.053 0.492 -7.151 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -8.495 -3.694 -9.759 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -8.839 -4.594 -9.919 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -9.280 -3.122 -9.856 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -8.016 -7.164 -3.910 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -7.857 -6.656 -4.733 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -8.515 -7.954 -4.209 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 5.335 1.820 -11.938 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 5.984 2.225 -11.330 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 5.864 1.539 -12.695 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 7.453 2.913 -10.473 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 7.489 3.795 -10.089 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 7.734 3.046 -11.412 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 1.170 1.662 -4.700 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 1.238 1.364 -3.776 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 0.323 2.135 -4.735 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 5.617 -1.708 -16.896 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 6.323 -1.130 -17.271 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 5.860 -2.593 -17.182 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 5.223 0.377 -15.174 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 6.093 0.255 -14.728 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 5.188 -0.360 -15.826 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -0.271 -1.694 -19.569 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -0.226 -1.326 -20.454 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 0.545 -1.366 -19.130 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -11.916 -3.380 -12.366 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -12.207 -3.004 -13.207 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -12.554 -4.119 -12.200 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 1.263 -4.064 -7.284 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 0.875 -4.081 -8.165 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 0.684 -4.662 -6.755 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 7.025 -5.984 -5.450 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 7.210 -6.937 -5.582 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 6.217 -5.973 -4.896 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 4.455 -8.132 -12.326 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 3.851 -7.625 -11.735 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 5.305 -8.137 -11.843 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -9.507 -9.411 -4.711 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -10.215 -9.655 -4.073 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -9.959 -9.396 -5.571 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 5.072 -10.357 -3.598 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 4.537 -11.155 -3.379 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 5.144 -10.378 -4.566 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -9.588 -6.237 -10.354 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -9.435 -6.309 -11.319 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -10.210 -6.967 -10.159 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 4.865 -9.559 -6.354 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 5.763 -9.181 -6.234 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 4.641 -9.350 -7.285 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 2.405 3.885 -12.744 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.695 3.049 -12.319 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 3.216 4.230 -13.173 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -8.660 1.370 -10.304 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -8.123 1.286 -11.128 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -9.016 2.265 -10.345 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -5.344 6.275 -11.333 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -5.016 6.806 -10.575 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -6.149 6.726 -11.606 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -3.676 4.625 -9.254 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -3.901 5.573 -9.340 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -3.681 4.292 -10.176 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -1.108 4.806 -8.351 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -2.013 4.717 -8.725 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.516 4.678 -9.121 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 4.027 -8.969 -8.910 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 3.280 -8.366 -8.695 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 3.586 -9.805 -9.185 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 0.685 3.604 -14.865 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -0.167 3.795 -14.433 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 1.342 3.673 -14.133 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 2.731 1.644 -11.269 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 3.698 1.566 -11.451 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 2.672 1.664 -10.290 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.591 3.907 -10.418 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 0.986 3.243 -9.810 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 1.322 4.146 -11.016 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -3.470 -0.203 -11.214 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -3.917 0.230 -11.975 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -2.891 -0.878 -11.628 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -0.214 -8.915 -9.671 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -0.609 -9.409 -8.923 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.171 -9.569 -10.391 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -8.934 -9.174 -7.673 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -8.377 -8.417 -7.942 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -8.327 -9.758 -7.186 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -7.183 -10.501 -5.845 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -7.247 -11.463 -5.647 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -7.889 -10.098 -5.293 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 0.046 -8.525 -5.366 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -0.529 -9.260 -5.091 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 0.953 -8.884 -5.276 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 1.834 0.188 -6.901 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 1.684 0.703 -6.074 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 2.374 -0.577 -6.611 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 0.593 1.067 -1.935 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -0.272 0.626 -1.898 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 0.387 2.002 -1.765 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -0.883 -2.680 3.070 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -0.470 -2.720 3.941 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -1.775 -2.308 3.241 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -6.880 -3.793 6.203 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -7.147 -3.382 7.035 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -6.142 -4.375 6.449 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -6.173 -6.414 3.506 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -5.484 -6.877 2.989 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -6.586 -5.799 2.861 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -3.663 0.760 3.736 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -3.450 1.321 4.494 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -3.142 1.131 3.011 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 2.652 -10.806 5.963 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 2.647 -10.315 6.816 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 3.346 -10.375 5.449 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 0.037 -6.943 2.669 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 0.767 -7.558 2.910 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 0.495 -6.111 2.431 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -8.129 -6.217 5.421 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -7.914 -5.286 5.616 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -7.508 -6.459 4.699 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -2.356 -4.827 2.087 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -1.761 -4.095 2.338 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -2.956 -4.914 2.847 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 2.844 -9.361 8.313 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 3.531 -8.910 8.834 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.495 -10.049 8.929 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -2.321 0.911 -1.882 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -2.849 0.995 -2.698 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -1.993 1.818 -1.719 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 0.510 -10.927 4.197 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 0.780 -10.066 3.818 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 1.188 -11.102 4.885 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -7.350 -2.001 -3.760 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -7.926 -2.342 -4.479 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.965 -1.171 -4.136 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 1.027 -2.526 1.027 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 0.342 -2.373 1.707 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 1.499 -3.326 1.347 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 2.596 -3.141 8.871 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 3.049 -3.160 9.723 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 2.971 -2.378 8.419 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -6.313 -0.031 3.690 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -6.861 0.729 3.471 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.404 0.326 3.714 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -3.487 -2.014 3.635 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -3.608 -1.046 3.708 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -4.404 -2.364 3.548 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -0.468 -4.053 -3.795 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -0.273 -4.221 -2.854 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 0.064 -3.258 -4.006 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -7.406 -4.438 1.962 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -6.914 -3.807 2.534 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -8.092 -3.895 1.546 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 2.887 -6.685 0.135 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 2.897 -5.927 -0.491 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 3.502 -7.318 -0.254 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 3.845 -6.495 11.277 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 3.022 -6.497 10.746 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 4.314 -7.309 10.988 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -0.033 -9.281 9.638 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 0.621 -10.021 9.709 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -0.448 -9.251 10.506 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 0.454 -3.945 -1.209 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 1.358 -4.233 -1.472 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 0.616 -3.253 -0.529 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -3.222 -4.490 4.795 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -3.237 -3.540 4.567 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -2.309 -4.648 5.121 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -3.508 -6.770 10.015 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -3.842 -6.932 10.927 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -2.969 -5.978 10.102 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -0.855 -5.906 0.079 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -1.246 -5.510 0.891 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -0.392 -5.158 -0.355 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -9.834 -7.932 11.860 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.136 -7.545 11.283 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -10.155 -7.184 12.378 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -0.811 -5.403 5.715 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -1.181 -6.301 5.638 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -0.347 -5.407 6.579 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 1.624 -7.945 6.165 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 0.684 -7.974 6.456 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 2.117 -8.326 6.922 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -2.140 -7.568 4.120 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -2.888 -7.284 3.574 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -1.347 -7.263 3.617 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -4.813 -6.359 5.906 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -4.179 -5.678 5.589 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -5.408 -6.497 5.143 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.170 -2.745 3.730 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.491 -3.097 4.590 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -6.379 -1.783 3.770 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -3.440 0.895 -4.412 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -2.721 0.240 -4.543 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -3.045 1.740 -4.697 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 4.668 -5.715 -4.000 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 4.854 -4.828 -3.619 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 4.224 -5.516 -4.864 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -1.107 3.380 -2.165 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -1.188 3.297 -3.140 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -1.137 4.331 -2.005 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -1.419 2.968 -4.906 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -1.342 2.562 -5.799 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -1.647 3.912 -5.095 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -1.352 -0.912 -4.324 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -0.458 -1.184 -4.009 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -1.241 -0.834 -5.300 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -8.065 -7.863 7.632 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -8.964 -8.254 7.620 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -8.052 -7.271 6.846 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 1.156 -1.829 -3.821 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 1.681 -1.626 -3.017 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 1.829 -1.900 -4.534 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -1.442 1.165 -10.011 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -2.218 0.713 -10.396 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -0.807 1.217 -10.748 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -0.915 -8.147 7.301 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -1.883 -8.065 7.425 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.599 -8.547 8.143 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -2.104 5.407 -5.837 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -2.972 5.805 -6.036 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -1.653 5.368 -6.705 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -3.644 -8.094 7.657 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -3.636 -7.619 8.523 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -4.066 -7.454 7.035 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -4.731 6.277 -6.546 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -5.263 5.463 -6.528 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -5.264 6.926 -6.031 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 1.833 -5.522 4.845 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 1.891 -6.421 5.228 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 0.878 -5.320 4.860 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -6.162 0.141 -4.831 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -6.735 0.891 -5.106 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -5.300 0.557 -4.644 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -6.121 8.347 -5.347 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -7.033 8.657 -5.383 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -5.676 8.981 -4.776 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -4.322 7.350 -9.013 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -3.918 8.213 -8.861 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -4.506 7.007 -8.107 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -1.312 2.195 -7.529 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -1.153 3.146 -7.700 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -1.358 1.798 -8.434 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -8.220 -8.096 16.622 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -9.091 -8.526 16.743 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -8.222 -7.375 17.272 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -7.796 -6.957 10.247 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.875 -7.244 9.312 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -6.847 -6.911 10.401 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.803 -2.215 -5.978 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.151 -2.759 -6.474 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 3.616 -2.743 -6.002 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -6.022 -9.713 7.779 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -6.746 -9.049 7.819 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.211 -9.188 7.907 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 1.601 -7.642 15.534 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 1.542 -7.146 14.682 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 1.991 -8.506 15.275 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -4.706 -5.507 14.938 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -5.471 -5.659 15.500 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -4.101 -4.973 15.497 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.097 -6.906 12.675 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -3.519 -7.474 13.193 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -4.460 -6.271 13.337 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -7.310 -11.638 6.239 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -6.898 -11.075 6.929 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -7.793 -11.013 5.682 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -9.213 4.413 -5.625 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -9.992 4.104 -6.140 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -9.593 4.929 -4.912 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 3.712 -4.954 -6.394 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 2.803 -4.704 -6.653 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 4.141 -5.201 -7.244 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 1.857 -4.973 2.043 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 2.368 -5.620 1.508 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 2.194 -5.093 2.954 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 2.530 -9.545 -4.946 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 2.806 -9.067 -4.140 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 3.346 -9.571 -5.495 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 1.423 -6.843 9.963 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 1.267 -6.276 9.179 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 1.015 -7.696 9.725 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 1.137 -5.139 7.735 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 1.537 -4.389 8.234 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 1.661 -5.182 6.918 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -8.537 -12.257 13.120 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -9.127 -11.559 12.762 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -8.917 -13.085 12.779 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 2.026 -11.557 12.723 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 1.208 -12.081 12.724 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 2.142 -11.304 11.777 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -12.174 -8.010 2.753 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -11.572 -7.839 3.516 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -12.364 -8.979 2.809 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 5.431 -11.473 9.911 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 4.510 -11.820 9.804 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 5.964 -12.028 9.307 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 3.790 -8.102 -2.841 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 4.412 -8.853 -2.984 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 4.232 -7.339 -3.270 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 1.888 -8.685 3.472 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 2.685 -9.203 3.219 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 2.033 -8.461 4.416 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 3.800 -10.485 2.758 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 4.751 -10.479 2.586 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 3.587 -11.440 2.890 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -1.504 -7.969 21.713 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -0.846 -7.619 22.349 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -1.174 -7.677 20.844 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 0.267 -6.919 23.484 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 0.435 -5.953 23.548 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 1.157 -7.305 23.362 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -5.085 -7.822 27.901 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -4.597 -8.581 28.273 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -4.489 -7.065 28.051 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.887 -5.047 18.242 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.469 -4.183 18.268 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -10.209 -5.655 18.607 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 2.275 -10.337 23.668 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 3.125 -10.751 23.407 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 1.683 -11.100 23.832 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 2.635 -5.754 24.992 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 2.913 -6.511 24.447 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 2.289 -5.112 24.349 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 2.855 -9.902 14.755 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 2.414 -10.224 13.940 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 3.470 -10.625 14.988 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -6.013 -5.267 23.009 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -5.790 -5.845 23.765 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -5.753 -4.381 23.308 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -2.271 -6.772 24.724 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -1.449 -6.927 24.215 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -2.169 -5.857 25.065 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -6.636 -10.907 26.464 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -6.347 -11.740 26.851 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -6.982 -10.401 27.219 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -1.594 -1.579 25.705 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -2.550 -1.339 25.649 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -1.163 -0.766 25.981 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -3.169 -5.766 18.991 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -2.385 -6.326 18.846 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -3.180 -5.163 18.217 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 0.182 -5.806 17.057 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.292 -6.353 17.709 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 0.610 -6.456 16.465 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -4.461 -3.879 25.069 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -3.502 -3.943 25.248 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -4.808 -4.757 25.325 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -4.976 -6.573 25.332 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -5.216 -7.111 26.114 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -4.026 -6.777 25.182 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 1.452 -8.572 18.123 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.567 -8.287 17.191 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 2.340 -8.520 18.502 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.231 -4.058 16.790 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.611 -3.194 17.058 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -2.297 -3.846 16.573 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 4.336 -10.536 27.147 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 4.454 -11.195 27.863 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 5.127 -9.966 27.213 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -1.016 -7.633 18.896 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -1.617 -8.405 18.985 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -0.137 -8.034 18.704 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -2.552 -9.883 19.549 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -1.993 -10.647 19.299 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -3.466 -10.224 19.466 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -2.809 -8.992 29.026 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -2.679 -8.048 28.816 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -1.912 -9.323 29.198 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.118 -9.893 17.528 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -6.058 -9.748 16.567 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -7.032 -9.635 17.749 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -9.853 -8.969 21.980 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -9.069 -8.407 21.819 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -10.395 -8.445 22.618 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 0.460 -5.457 26.654 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 1.350 -5.494 26.239 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 0.272 -6.385 26.894 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -5.226 -6.467 20.561 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -4.571 -6.121 19.900 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -5.348 -5.728 21.186 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -5.108 -10.765 19.853 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -5.569 -10.469 19.029 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -5.728 -11.426 20.251 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -6.894 -9.640 14.790 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -7.424 -9.022 15.344 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -6.990 -9.295 13.895 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 4.324 -6.897 17.507 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 4.405 -6.982 18.484 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 3.408 -6.615 17.370 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -4.272 -1.176 25.588 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.490 -2.093 25.318 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.115 -0.802 25.859 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 5.732 -6.023 13.312 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 5.060 -5.913 12.610 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 6.181 -6.856 13.079 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -10.620 -9.277 17.099 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -10.831 -9.545 16.179 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -11.235 -8.527 17.275 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -8.534 -11.540 29.972 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -9.457 -11.230 30.100 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -8.070 -10.756 29.613 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 0.840 -10.054 26.058 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 1.397 -9.787 25.302 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 1.106 -10.972 26.230 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -0.717 -7.961 26.830 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -1.301 -7.918 26.053 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -0.159 -8.758 26.666 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 6.686 -9.100 26.770 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 6.450 -8.172 26.647 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 7.652 -9.077 26.990 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 0.816 -4.229 23.480 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 0.342 -3.698 24.137 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 0.754 -3.712 22.667 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -8.828 -10.631 18.684 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -9.266 -11.247 19.292 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -9.566 -10.196 18.210 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -6.760 -12.544 21.089 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -7.486 -12.140 21.612 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -6.782 -13.488 21.341 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -3.674 -1.417 17.416 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -3.646 -0.801 18.153 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -3.087 -1.030 16.758 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -2.623 -6.371 27.993 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -2.453 -5.443 27.779 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.825 -6.842 27.666 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -0.601 -3.285 16.490 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -0.298 -4.188 16.752 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 0.180 -2.876 16.114 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -7.504 -9.308 28.588 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -6.752 -8.691 28.469 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -8.274 -8.798 28.312 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -1.769 -4.277 25.764 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -0.921 -4.619 26.144 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -1.663 -3.295 25.792 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -2.807 -11.753 29.100 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -3.139 -10.840 29.025 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -1.846 -11.645 29.225 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -0.206 -10.768 29.456 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 0.416 -11.180 30.082 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 0.352 -10.478 28.723 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -0.527 -14.916 28.458 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 0.066 -15.615 28.124 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -1.128 -14.729 27.709 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -6.538 -13.062 28.814 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -7.111 -12.462 29.341 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -7.159 -13.724 28.456 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 1.650 -6.668 12.982 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 1.160 -6.638 12.147 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 2.583 -6.591 12.710 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 7.816 -3.858 17.491 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 8.066 -3.091 16.966 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 7.254 -4.392 16.886 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 4.457 -12.096 14.287 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 5.162 -12.397 13.678 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 3.670 -12.016 13.714 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 4.142 -7.276 20.348 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 5.037 -7.132 20.724 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 3.581 -7.434 21.129 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 3.004 -7.788 23.089 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 3.974 -7.893 23.238 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 2.645 -8.690 23.246 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -7.736 -7.085 21.511 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -7.623 -6.395 22.187 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -6.886 -7.076 21.022 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 5.180 -8.583 15.487 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 4.310 -8.887 15.156 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 4.957 -7.999 16.245 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -8.534 -14.739 27.731 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -9.394 -14.259 27.671 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -8.130 -14.616 26.839 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 6.223 -11.024 24.880 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 6.387 -10.366 25.595 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 5.816 -11.789 25.351 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -8.438 -14.420 19.425 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -8.039 -14.832 20.218 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -9.180 -13.893 19.776 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -4.616 -17.162 29.180 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -5.353 -16.645 28.849 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -4.567 -16.928 30.134 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 1.635 -13.241 28.600 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 0.855 -13.833 28.529 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 1.621 -12.943 29.537 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -3.754 4.157 -11.986 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -4.210 3.609 -12.641 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.329 4.953 -11.897 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -1.094 3.642 -12.578 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -0.550 3.878 -11.794 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -1.995 3.964 -12.349 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 6.215 3.008 -15.222 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 5.741 2.152 -15.273 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 5.518 3.654 -14.971 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 4.382 4.919 -14.435 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 3.669 5.136 -15.085 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 4.881 5.740 -14.350 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 7.834 -33.664 12.976 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 8.324 -34.105 12.279 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 8.531 -33.266 13.547 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.431 -27.275 8.449 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 7.566 -27.697 9.326 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 6.657 -27.747 8.070 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 5.866 -33.566 19.389 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 5.466 -34.412 19.169 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 5.858 -33.070 18.544 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 7.434 -30.878 32.968 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 7.129 -31.478 33.674 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 8.360 -31.174 32.781 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 10.182 -27.802 35.340 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 10.187 -27.830 34.367 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 9.411 -28.356 35.590 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 6.077 -28.223 20.510 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 5.749 -28.856 21.186 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 6.629 -27.594 21.021 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 5.525 -30.028 22.563 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 5.903 -30.027 23.462 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 5.734 -30.922 22.219 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 15.388 -31.841 28.402 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 15.184 -32.692 28.003 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 14.898 -31.198 27.865 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 14.868 -29.163 27.492 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 15.657 -29.327 28.049 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 15.225 -28.702 26.708 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 6.977 -30.915 24.847 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 6.593 -31.767 25.089 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 7.723 -31.148 24.251 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 8.681 -31.957 22.946 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 9.332 -32.485 22.477 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 7.822 -32.206 22.530 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 5.507 -32.496 16.820 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 4.530 -32.553 16.903 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 5.676 -32.699 15.874 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 9.690 -32.406 14.497 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 10.247 -31.650 14.227 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 9.317 -32.133 15.343 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 10.074 -31.282 32.636 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 10.698 -32.007 32.543 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 10.596 -30.483 32.396 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 6.158 -31.498 35.483 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 5.656 -32.223 35.868 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 5.552 -30.723 35.550 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 10.307 -19.635 3.760 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 9.748 -20.123 4.408 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 10.148 -20.093 2.923 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 6.878 -23.747 1.469 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 7.507 -24.491 1.574 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 7.340 -22.984 1.888 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 8.102 -21.642 2.687 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 7.724 -20.754 2.526 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 8.298 -21.648 3.644 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 8.403 -25.872 2.387 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 7.855 -25.714 3.184 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 8.273 -26.826 2.193 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 13.344 -22.281 5.458 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 13.115 -21.323 5.425 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 13.977 -22.396 4.740 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 7.691 -24.623 8.824 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 7.886 -24.398 7.887 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 7.526 -25.594 8.805 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 13.511 -17.169 5.733 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 13.258 -17.147 6.682 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 14.154 -16.461 5.645 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 8.188 -23.756 6.287 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 7.741 -24.333 5.624 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 9.126 -23.747 6.005 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 10.498 -17.102 6.973 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 9.777 -17.072 7.625 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 11.312 -17.096 7.516 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 7.348 -19.019 2.652 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 7.942 -18.268 2.545 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 7.091 -18.987 3.604 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 12.594 -19.695 5.288 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 11.816 -19.606 4.698 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 12.981 -18.787 5.314 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 10.937 -23.582 5.788 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 11.796 -23.100 5.780 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 10.807 -23.850 4.845 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 14.609 -17.831 10.370 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 15.498 -17.821 10.735 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 14.291 -18.744 10.532 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 8.038 -16.698 8.240 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 8.099 -16.564 7.267 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 7.073 -16.836 8.399 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 9.024 -20.019 10.494 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 9.906 -20.392 10.655 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 8.915 -19.360 11.205 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 14.339 -26.065 5.618 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 14.683 -26.832 5.156 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 13.366 -26.190 5.602 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 11.013 -22.434 8.379 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 10.780 -22.907 7.554 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 10.346 -22.743 9.032 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 14.349 -23.969 7.443 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 14.498 -24.779 6.912 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 14.027 -23.316 6.793 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 7.700 -28.529 2.591 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 6.733 -28.661 2.562 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 7.910 -28.540 3.544 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 10.707 -24.772 3.391 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 11.130 -25.589 3.703 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 9.956 -25.085 2.842 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 9.263 -18.512 12.863 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 10.133 -18.926 12.672 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 8.955 -18.966 13.654 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 13.287 -23.041 9.810 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 12.475 -22.861 9.287 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 13.886 -23.486 9.166 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 8.600 -21.090 5.336 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 7.971 -20.354 5.518 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 8.301 -21.812 5.917 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 12.537 -22.837 12.436 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 12.697 -22.995 11.475 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 13.418 -22.861 12.826 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 6.538 -13.856 5.474 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 5.640 -13.659 5.798 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 6.503 -13.628 4.522 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 9.771 -27.670 7.170 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 8.956 -27.343 7.610 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 10.205 -28.223 7.860 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 7.052 -18.870 5.337 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 6.232 -18.860 5.890 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 7.412 -17.961 5.431 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 7.760 -11.056 13.781 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 8.293 -11.877 13.914 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 7.837 -10.582 14.634 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 12.811 -17.399 8.353 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 13.455 -17.317 9.091 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 12.562 -18.349 8.360 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 6.765 -23.320 13.172 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 7.117 -23.503 14.071 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 7.403 -22.708 12.789 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 12.251 -20.034 8.017 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 12.389 -19.949 7.049 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 11.708 -20.851 8.109 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 9.409 -23.253 10.436 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 8.813 -23.940 10.059 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 9.664 -23.611 11.310 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 11.591 -26.321 5.629 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 11.321 -25.425 5.903 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 10.988 -26.916 6.129 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 13.503 -20.341 10.403 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 13.713 -21.294 10.336 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 13.116 -20.124 9.524 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 10.143 -24.105 13.007 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 10.121 -24.515 13.896 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 11.024 -23.675 12.961 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 3.580 -13.197 2.810 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 3.557 -13.488 1.872 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 4.490 -13.402 3.097 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 6.407 -13.385 2.773 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 7.337 -13.055 2.821 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 6.375 -13.883 1.929 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 6.879 -25.620 4.677 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 7.137 -26.537 4.919 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 5.899 -25.644 4.665 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 5.487 -28.517 6.988 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 4.876 -28.077 7.613 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 4.897 -29.050 6.415 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 7.763 -15.200 10.499 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.030 -14.321 10.199 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 8.028 -15.796 9.762 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 7.903 -16.270 5.551 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 7.453 -15.403 5.437 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.695 -16.207 4.983 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 6.387 -13.560 8.362 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 5.619 -13.338 7.794 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.035 -13.930 7.742 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 11.009 -14.526 3.221 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 10.711 -15.390 3.588 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 11.958 -14.631 3.115 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 10.298 -16.923 4.274 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 10.367 -17.854 3.977 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 10.480 -16.969 5.246 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 8.233 -28.044 10.936 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 7.891 -28.681 11.604 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 8.165 -27.165 11.384 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 8.024 -25.582 12.078 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 7.281 -25.006 12.333 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 8.807 -25.145 12.466 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 8.812 -16.698 22.571 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 8.995 -17.608 22.847 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.904 -16.176 23.397 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 12.126 -24.343 23.937 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 12.160 -23.508 24.452 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 11.792 -24.058 23.051 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 11.973 -21.794 24.900 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 11.227 -21.181 24.687 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 12.760 -21.242 24.822 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 13.266 -20.855 28.559 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 13.175 -19.878 28.594 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 13.346 -21.120 29.498 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 8.118 -16.743 19.176 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 8.279 -16.391 18.292 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 8.229 -15.964 19.769 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 12.706 -26.468 22.255 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 12.460 -25.761 22.888 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 11.866 -26.881 22.022 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 7.906 -19.604 22.715 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 7.931 -19.446 21.751 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 7.076 -19.170 23.007 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.638 -24.055 27.580 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 14.335 -23.802 28.215 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 12.921 -23.421 27.747 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 9.239 -21.649 21.145 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 8.906 -21.288 21.984 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 9.046 -20.947 20.496 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 9.929 -17.477 25.460 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 10.109 -17.532 26.427 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 9.662 -16.548 25.321 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 6.604 -12.695 19.325 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.241 -13.427 19.393 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 6.527 -12.528 18.351 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.485 -17.632 28.156 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.950 -17.981 28.895 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 11.407 -17.802 28.431 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 13.292 -25.996 25.765 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 12.824 -25.435 25.109 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 13.555 -25.362 26.475 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 19.758 -25.623 28.020 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 20.508 -26.089 27.640 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 19.039 -26.292 28.036 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.271 -23.553 21.530 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.960 -23.610 20.844 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.696 -22.817 21.238 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 18.201 -23.951 29.487 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 18.740 -24.497 28.867 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 18.810 -23.741 30.201 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 11.163 -30.075 14.142 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 12.064 -30.388 14.270 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 11.265 -29.102 13.997 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 15.829 -24.632 21.994 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 16.535 -24.114 22.388 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 15.661 -25.343 22.644 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 12.309 -23.967 17.932 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 12.744 -24.172 18.788 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 12.829 -24.448 17.283 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 11.394 -27.390 13.882 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.745 -26.864 14.397 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 11.647 -26.808 13.159 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 7.267 -19.830 28.868 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 7.009 -20.448 28.164 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 6.422 -19.556 29.265 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 8.983 -27.802 17.027 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.241 -27.201 17.267 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.125 -28.332 17.843 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 15.052 -26.632 23.765 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 14.399 -26.826 23.062 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 14.498 -26.410 24.546 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 9.899 -20.056 24.581 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 9.188 -19.946 23.915 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 9.992 -19.155 24.980 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 15.642 -23.195 29.336 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 16.613 -23.396 29.357 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 15.598 -22.283 29.013 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 5.695 -17.812 23.194 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 4.741 -17.608 23.305 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 6.143 -17.154 23.759 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 7.755 -23.653 15.703 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 8.496 -23.273 16.229 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 6.987 -23.605 16.301 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 8.866 -10.406 18.738 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 8.126 -9.829 19.021 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 8.712 -10.534 17.792 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 5.965 -15.344 24.601 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 5.099 -15.383 24.167 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 5.859 -14.635 25.272 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 8.153 -19.379 19.910 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 8.344 -18.438 19.692 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 7.514 -19.650 19.241 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 15.787 -25.991 29.921 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 15.857 -25.024 29.825 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 16.442 -26.341 29.278 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.588 -25.783 15.214 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 8.854 -25.163 15.397 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 9.464 -26.502 15.873 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.974 -22.718 17.057 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.696 -23.318 17.353 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 10.323 -21.838 17.220 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 5.659 -17.148 20.522 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 6.548 -17.207 20.127 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 5.780 -17.484 21.439 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 4.325 -12.742 28.714 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 3.429 -13.131 28.634 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 4.519 -12.788 29.675 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 6.953 -23.023 31.328 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 6.054 -23.034 30.960 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 6.910 -22.343 32.027 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.357 -20.226 12.178 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 11.560 -21.141 12.445 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 12.111 -19.975 11.608 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 14.581 -19.014 34.128 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 14.120 -19.112 34.967 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 15.444 -18.665 34.370 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 16.619 -27.992 25.579 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 17.231 -28.508 25.042 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 16.124 -27.449 24.922 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.259 -22.309 27.485 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.483 -22.243 26.534 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 11.866 -21.665 27.917 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 17.602 -27.307 28.101 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 17.234 -27.441 27.201 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 17.549 -28.198 28.515 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 13.403 -25.786 31.498 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 13.552 -26.487 32.176 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 14.226 -25.792 30.966 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 16.957 -29.707 29.201 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 16.640 -30.634 29.161 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 16.685 -29.398 30.093 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 13.404 -28.645 29.785 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 13.734 -28.913 28.902 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 14.195 -28.703 30.361 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 11.658 -29.180 31.880 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 12.104 -29.031 31.018 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.157 -28.350 32.039 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 8.106 -15.919 13.091 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 7.958 -15.650 12.158 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 8.521 -16.801 13.021 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.012 -31.142 28.894 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 7.435 -31.943 28.810 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 8.905 -31.490 28.827 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 5.266 -13.255 26.198 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 4.324 -13.261 25.940 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 5.242 -13.179 27.176 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.738 -15.056 24.751 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 7.766 -15.162 24.832 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.866 -14.088 24.675 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 3.149 -16.713 23.542 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 2.189 -16.905 23.619 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 3.196 -15.733 23.579 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.166 -14.610 20.913 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.459 -15.304 21.553 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.259 -13.779 21.407 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 8.619 -28.897 19.495 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 7.686 -28.660 19.668 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.901 -29.339 20.299 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 4.613 -28.303 18.075 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 5.237 -28.786 17.479 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 5.123 -28.180 18.905 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.587 -24.643 20.301 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 13.293 -25.382 20.869 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 14.491 -24.444 20.624 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 6.183 -11.951 16.735 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 5.659 -12.095 15.925 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 6.696 -11.139 16.546 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.618 -29.691 15.123 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 8.740 -28.989 15.804 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 9.508 -29.796 14.728 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 7.792 -29.118 30.786 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 7.855 -29.685 29.990 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 7.658 -29.749 31.514 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.974 -13.475 14.122 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 8.544 -14.302 13.810 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.869 -13.744 14.343 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.304 -25.712 37.258 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.182 -24.911 36.717 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 9.206 -25.614 37.629 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 10.934 -25.097 37.788 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 11.317 -24.859 36.932 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.680 -25.088 38.395 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 15.711 -28.368 31.243 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 15.801 -27.461 30.879 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 15.343 -28.232 32.139 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.835 -23.661 32.334 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.363 -23.897 33.150 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.398 -24.443 32.148 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 8.535 -25.235 31.615 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 8.135 -24.339 31.603 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 7.767 -25.834 31.733 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 10.475 -21.508 30.589 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 10.441 -21.931 29.721 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.890 -22.171 31.163 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 12.861 -27.974 35.737 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.880 -27.917 35.696 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 13.037 -28.399 36.580 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.333 -18.963 30.355 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.600 -19.275 29.772 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.827 -19.783 30.573 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.469 -25.068 34.858 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 10.296 -25.916 35.322 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.648 -24.546 34.999 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 13.048 -18.181 29.153 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 13.660 -17.442 29.076 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 13.160 -18.489 30.088 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.707 -19.272 31.530 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.653 -20.246 31.469 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.007 -19.106 32.448 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 13.655 -22.010 31.038 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 14.283 -22.685 30.724 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 13.012 -22.513 31.582 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 8.126 -17.250 32.108 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 8.521 -17.837 31.416 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.891 -16.875 32.557 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 4.495 -29.322 35.444 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 3.530 -29.127 35.344 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 4.873 -28.489 35.790 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 7.967 -29.394 35.252 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 7.943 -29.597 34.299 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 7.589 -30.190 35.670 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.504 -26.806 32.700 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 9.729 -26.389 32.261 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.726 -26.185 33.423 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 13.776 -27.880 33.183 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 13.112 -28.524 32.863 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 13.629 -27.851 34.157 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 9.679 -4.278 -12.770 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.228 -5.138 -12.816 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 9.894 -4.176 -11.816 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 10.176 0.104 -15.281 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.623 -0.728 -15.020 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 10.279 0.141 -16.253 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 3.516 -4.156 -13.843 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 4.405 -4.168 -13.436 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 3.282 -5.102 -13.930 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 7.661 -0.048 -14.083 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.488 0.030 -14.606 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 7.604 -1.005 -13.863 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 5.678 -4.506 -12.194 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 6.440 -5.101 -12.008 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 5.059 -4.678 -11.467 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 11.262 -1.643 -11.189 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 10.390 -1.204 -11.256 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.564 -1.710 -12.108 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 7.446 0.110 -17.668 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.388 0.254 -17.879 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 7.111 0.994 -17.477 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.688 -4.359 -10.023 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.509 -4.034 -9.607 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 8.983 -3.829 -9.596 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 11.214 -2.438 -8.553 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 11.401 -2.168 -9.478 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 11.020 -1.600 -8.097 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 8.474 -7.872 -8.564 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 8.238 -6.923 -8.424 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 9.411 -7.852 -8.798 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 9.349 -2.445 -6.148 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 10.162 -2.950 -6.297 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 9.615 -1.513 -6.310 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.223 -2.315 -14.068 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.993 -2.807 -14.375 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.639 -3.001 -13.678 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 7.510 -5.383 -8.052 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 7.366 -5.443 -7.079 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 7.613 -4.420 -8.220 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.517 -2.611 -13.033 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 6.777 -3.221 -12.823 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 8.299 -3.197 -13.093 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 10.002 1.105 -18.004 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 9.546 1.887 -17.611 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 10.422 1.451 -18.800 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 4.981 -3.140 -2.986 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 5.810 -3.068 -3.518 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 4.722 -2.222 -2.828 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 7.111 -3.247 -4.703 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.201 -4.182 -4.961 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 7.893 -2.813 -5.104 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.573 3.011 -16.692 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 7.683 3.166 -16.313 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.181 3.180 -15.946 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 7.447 -8.645 -6.117 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 8.100 -9.171 -5.637 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 7.840 -8.528 -7.008 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 2.872 -6.535 -10.820 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 2.609 -6.658 -9.884 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 2.026 -6.573 -11.310 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 10.271 -0.113 -7.261 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.614 0.201 -7.929 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 10.760 0.682 -7.019 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.752 -0.625 -11.585 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 8.290 -1.432 -11.897 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.547 0.041 -12.267 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 10.258 2.739 -14.499 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.263 1.787 -14.750 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.178 2.933 -14.286 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 3.002 -4.766 -1.809 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 3.162 -5.360 -2.561 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 3.644 -4.038 -1.942 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 4.948 -8.886 10.605 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 5.510 -8.770 11.403 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 5.144 -9.800 10.309 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 2.335 -1.077 -1.443 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 2.120 -1.397 -0.551 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 1.871 -0.217 -1.507 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 4.151 -12.920 6.923 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 3.702 -13.026 7.790 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 3.553 -12.332 6.418 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 6.384 -8.747 12.967 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 6.982 -9.516 13.050 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 5.960 -8.680 13.846 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 6.406 -5.609 15.954 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 5.598 -5.942 16.390 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 6.194 -5.651 14.990 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.026 -9.066 22.182 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.185 -9.644 21.395 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 11.772 -8.456 22.177 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 6.793 -6.933 21.102 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.409 -7.305 21.760 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.258 -6.131 20.762 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 10.095 -10.076 24.582 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 9.812 -11.006 24.461 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 10.608 -9.872 23.772 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 8.319 -8.773 22.709 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 8.484 -9.085 23.615 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 9.215 -8.730 22.310 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 8.547 -12.323 24.144 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 7.754 -11.913 24.545 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 8.411 -12.207 23.178 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 3.382 -13.978 23.863 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 3.781 -13.224 23.379 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 2.634 -13.577 24.349 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.193 -7.230 17.276 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.783 -6.645 17.771 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 7.667 -6.619 16.712 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.233 -4.924 19.958 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.983 -4.520 19.094 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 8.814 -4.274 20.360 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 11.348 -10.472 19.915 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.863 -11.069 19.366 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 10.462 -10.452 19.485 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.906 -11.659 21.611 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.942 -10.689 21.640 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.522 -11.857 20.738 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 4.493 -11.680 22.744 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 4.716 -11.239 21.890 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 5.260 -11.487 23.319 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 5.578 -8.620 23.490 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 5.696 -9.405 24.050 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.427 -8.532 23.023 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 6.759 -8.721 19.088 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.699 -8.073 19.825 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.111 -8.196 18.339 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 9.365 -9.082 26.956 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.647 -9.422 26.074 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 10.183 -9.026 27.458 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 5.224 -10.612 20.332 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 5.524 -9.798 19.880 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 5.706 -11.329 19.873 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 7.561 -9.650 16.147 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 6.669 -9.294 15.918 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 8.057 -8.860 16.448 1.00 0.00 WAT1 END