REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -864.517, 81.0678, 109.999, 43.6372, 562.356, -594.483, -1070.79, 3.69612, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.368217E-03,0.446661,1.09561,42.4322,4.534322E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 50, 0 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:22 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 15.077 -21.267 -3.162 1.00 52.35 ATOM 2 CB MET 1 13.459 -21.841 -4.452 1.00 24.10 ATOM 3 HB1 MET 1 12.420 -21.573 -4.590 1.00 37.30 ATOM 4 HB2 MET 1 13.515 -22.880 -4.159 1.00 22.34 ATOM 5 CG MET 1 14.173 -21.687 -5.788 1.00 31.43 ATOM 6 HG1 MET 1 14.084 -20.661 -6.115 1.00 37.30 ATOM 7 HG2 MET 1 13.702 -22.337 -6.512 1.00 31.44 ATOM 8 SD MET 1 15.922 -22.112 -5.681 1.00 40.21 ATOM 9 CE MET 1 16.453 -21.810 -7.365 1.00 22.40 ATOM 10 HE1 MET 1 15.894 -22.442 -8.039 1.00 50.24 ATOM 11 HE2 MET 1 17.506 -22.032 -7.453 1.00 63.42 ATOM 12 HE3 MET 1 16.281 -20.774 -7.618 1.00 72.20 ATOM 13 C MET 1 14.013 -19.494 -3.722 1.00 73.33 ATOM 14 O MET 1 15.054 -18.871 -3.941 1.00 13.20 ATOM 15 N MET 1 13.300 -21.210 -2.058 1.00 64.33 ATOM 16 HT1 MET 1 13.718 -20.653 -1.284 1.00 37.30 ATOM 17 HT2 MET 1 13.338 -22.215 -1.800 1.00 37.30 ATOM 18 HT3 MET 1 12.302 -20.931 -2.168 1.00 37.30 ATOM 19 CA MET 1 14.048 -20.977 -3.325 1.00 74.33 ATOM 20 N GLY 2 12.813 -18.926 -3.796 1.00 12.23 ATOM 21 HN GLY 2 12.017 -19.456 -3.581 1.00 37.30 ATOM 22 CA GLY 2 12.660 -17.531 -4.191 1.00 14.14 ATOM 23 HA1 GLY 2 11.657 -17.389 -4.568 1.00 37.30 ATOM 24 HA2 GLY 2 13.359 -17.313 -4.987 1.00 62.23 ATOM 25 C GLY 2 12.898 -16.545 -3.050 1.00 64.32 ATOM 26 O GLY 2 11.992 -15.810 -2.656 1.00 64.53 ATOM 27 N HIS 3 14.115 -16.529 -2.506 1.00 33.22 ATOM 28 HN HIS 3 14.773 -17.198 -2.791 1.00 37.30 ATOM 29 CA HIS 3 14.480 -15.537 -1.487 1.00 72.31 ATOM 30 HA HIS 3 13.734 -15.594 -0.704 1.00 53.24 ATOM 31 CB HIS 3 15.858 -15.856 -0.875 1.00 41.14 ATOM 32 HB1 HIS 3 15.785 -16.777 -0.311 1.00 37.30 ATOM 33 HB2 HIS 3 16.137 -15.058 -0.204 1.00 32.42 ATOM 34 CG HIS 3 16.967 -16.018 -1.879 1.00 64.04 ATOM 35 ND1 HIS 3 17.791 -14.983 -2.273 1.00 61.11 ATOM 36 HD1 HIS 3 17.734 -14.053 -1.962 1.00 10.11 ATOM 37 CD2 HIS 3 17.399 -17.110 -2.559 1.00 72.31 ATOM 38 HD2 HIS 3 16.983 -18.105 -2.502 1.00 3.35 ATOM 39 CE1 HIS 3 18.673 -15.429 -3.144 1.00 2.13 ATOM 40 HE1 HIS 3 19.445 -14.842 -3.619 1.00 24.45 ATOM 41 NE2 HIS 3 18.459 -16.715 -3.335 1.00 52.15 ATOM 42 HE2 HIS 3 19.083 -17.323 -3.785 1.00 37.30 ATOM 43 C HIS 3 14.446 -14.115 -2.080 1.00 34.54 ATOM 44 O HIS 3 15.452 -13.597 -2.553 1.00 11.35 ATOM 45 N HIS 4 13.264 -13.502 -2.067 1.00 42.14 ATOM 46 HN HIS 4 12.514 -13.929 -1.599 1.00 37.30 ATOM 47 CA HIS 4 13.045 -12.220 -2.745 1.00 70.24 ATOM 48 HA HIS 4 13.521 -12.279 -3.715 1.00 1.12 ATOM 49 CB HIS 4 11.543 -11.999 -2.960 1.00 40.14 ATOM 50 HB1 HIS 4 11.394 -11.089 -3.524 1.00 37.30 ATOM 51 HB2 HIS 4 11.058 -11.903 -1.999 1.00 1.55 ATOM 52 CG HIS 4 10.876 -13.117 -3.702 1.00 30.43 ATOM 53 ND1 HIS 4 9.866 -13.884 -3.161 1.00 21.13 ATOM 54 HD1 HIS 4 9.484 -13.782 -2.263 1.00 12.32 ATOM 55 CD2 HIS 4 11.078 -13.598 -4.951 1.00 53.54 ATOM 56 HD2 HIS 4 11.800 -13.235 -5.668 1.00 55.01 ATOM 57 CE1 HIS 4 9.480 -14.785 -4.040 1.00 0.25 ATOM 58 HE1 HIS 4 8.704 -15.521 -3.890 1.00 53.33 ATOM 59 NE2 HIS 4 10.197 -14.633 -5.132 1.00 62.55 ATOM 60 HE2 HIS 4 10.043 -15.107 -5.976 1.00 37.30 ATOM 61 C HIS 4 13.650 -11.028 -1.979 1.00 23.24 ATOM 62 O HIS 4 13.072 -10.549 -1.008 1.00 34.44 ATOM 63 N HIS 5 14.837 -10.596 -2.412 1.00 41.32 ATOM 64 HN HIS 5 15.306 -11.130 -3.088 1.00 37.30 ATOM 65 CA HIS 5 15.482 -9.359 -1.928 1.00 71.54 ATOM 66 HA HIS 5 16.514 -9.395 -2.244 1.00 41.24 ATOM 67 CB HIS 5 14.815 -8.140 -2.590 1.00 24.24 ATOM 68 HB1 HIS 5 13.851 -7.969 -2.133 1.00 37.30 ATOM 69 HB2 HIS 5 14.675 -8.343 -3.642 1.00 23.20 ATOM 70 CG HIS 5 15.615 -6.877 -2.471 1.00 2.00 ATOM 71 ND1 HIS 5 15.542 -6.034 -1.382 1.00 11.14 ATOM 72 HD1 HIS 5 14.966 -6.161 -0.593 1.00 63.42 ATOM 73 CD2 HIS 5 16.520 -6.320 -3.309 1.00 40.54 ATOM 74 HD2 HIS 5 16.835 -6.712 -4.266 1.00 51.23 ATOM 75 CE1 HIS 5 16.364 -5.020 -1.555 1.00 51.20 ATOM 76 HE1 HIS 5 16.522 -4.208 -0.860 1.00 64.31 ATOM 77 NE2 HIS 5 16.967 -5.171 -2.712 1.00 73.35 ATOM 78 HE2 HIS 5 17.653 -4.569 -3.075 1.00 37.30 ATOM 79 C HIS 5 15.458 -9.220 -0.387 1.00 62.33 ATOM 80 O HIS 5 15.155 -8.151 0.145 1.00 73.30 ATOM 81 N HIS 6 15.788 -10.303 0.321 1.00 30.34 ATOM 82 HN HIS 6 16.009 -11.128 -0.162 1.00 37.30 ATOM 83 CA HIS 6 15.844 -10.306 1.800 1.00 53.32 ATOM 84 HA HIS 6 16.185 -11.287 2.097 1.00 71.43 ATOM 85 CB HIS 6 16.859 -9.271 2.307 1.00 70.55 ATOM 86 HB1 HIS 6 16.797 -9.212 3.386 1.00 37.30 ATOM 87 HB2 HIS 6 16.618 -8.303 1.887 1.00 4.10 ATOM 88 CG HIS 6 18.277 -9.590 1.943 1.00 53.32 ATOM 89 ND1 HIS 6 19.172 -10.152 2.826 1.00 74.12 ATOM 90 HD1 HIS 6 18.984 -10.389 3.760 1.00 71.13 ATOM 91 CD2 HIS 6 18.956 -9.425 0.783 1.00 51.12 ATOM 92 HD2 HIS 6 18.565 -9.008 -0.136 1.00 64.03 ATOM 93 CE1 HIS 6 20.333 -10.319 2.230 1.00 74.54 ATOM 94 HE1 HIS 6 21.220 -10.739 2.681 1.00 44.30 ATOM 95 NE2 HIS 6 20.231 -9.887 0.991 1.00 31.14 ATOM 96 HE2 HIS 6 20.991 -9.741 0.386 1.00 37.30 ATOM 97 C HIS 6 14.472 -10.064 2.466 1.00 72.32 ATOM 98 O HIS 6 14.381 -9.992 3.692 1.00 71.24 ATOM 99 N HIS 7 13.412 -9.940 1.667 1.00 23.33 ATOM 100 HN HIS 7 13.547 -9.915 0.698 1.00 37.30 ATOM 101 CA HIS 7 12.049 -9.826 2.200 1.00 33.51 ATOM 102 HA HIS 7 12.056 -9.065 2.970 1.00 40.21 ATOM 103 CB HIS 7 11.081 -9.404 1.082 1.00 4.23 ATOM 104 HB1 HIS 7 11.104 -10.148 0.298 1.00 37.30 ATOM 105 HB2 HIS 7 11.407 -8.457 0.674 1.00 34.11 ATOM 106 CG HIS 7 9.654 -9.245 1.523 1.00 61.30 ATOM 107 ND1 HIS 7 9.146 -8.071 2.037 1.00 41.04 ATOM 108 HD1 HIS 7 9.648 -7.241 2.176 1.00 74.34 ATOM 109 CD2 HIS 7 8.619 -10.119 1.510 1.00 32.34 ATOM 110 HD2 HIS 7 8.653 -11.146 1.177 1.00 74.43 ATOM 111 CE1 HIS 7 7.871 -8.230 2.321 1.00 12.14 ATOM 112 HE1 HIS 7 7.219 -7.479 2.743 1.00 24.34 ATOM 113 NE2 HIS 7 7.527 -9.461 2.008 1.00 5.11 ATOM 114 HE2 HIS 7 6.668 -9.877 2.232 1.00 37.30 ATOM 115 C HIS 7 11.613 -11.161 2.827 1.00 53.14 ATOM 116 O HIS 7 10.807 -11.199 3.757 1.00 23.50 ATOM 117 N HIS 8 12.157 -12.254 2.298 1.00 20.54 ATOM 118 HN HIS 8 12.732 -12.159 1.513 1.00 37.30 ATOM 119 CA HIS 8 11.925 -13.591 2.849 1.00 61.33 ATOM 120 HA HIS 8 10.908 -13.631 3.217 1.00 72.01 ATOM 121 CB HIS 8 12.104 -14.647 1.749 1.00 24.51 ATOM 122 HB1 HIS 8 13.127 -14.622 1.399 1.00 37.30 ATOM 123 HB2 HIS 8 11.445 -14.412 0.926 1.00 42.24 ATOM 124 CG HIS 8 11.803 -16.048 2.192 1.00 51.33 ATOM 125 ND1 HIS 8 12.732 -16.863 2.802 1.00 43.14 ATOM 126 HD1 HIS 8 13.657 -16.616 3.026 1.00 72.32 ATOM 127 CD2 HIS 8 10.672 -16.784 2.096 1.00 44.12 ATOM 128 HD2 HIS 8 9.732 -16.462 1.670 1.00 32.53 ATOM 129 CE1 HIS 8 12.188 -18.036 3.058 1.00 34.41 ATOM 130 HE1 HIS 8 12.682 -18.870 3.534 1.00 4.31 ATOM 131 NE2 HIS 8 10.940 -18.015 2.639 1.00 23.01 ATOM 132 HE2 HIS 8 10.378 -18.813 2.524 1.00 37.30 ATOM 133 C HIS 8 12.893 -13.868 4.014 1.00 5.21 ATOM 134 O HIS 8 14.075 -14.140 3.798 1.00 63.52 ATOM 135 N SER 9 12.388 -13.789 5.242 1.00 31.13 ATOM 136 HN SER 9 11.432 -13.599 5.351 1.00 37.30 ATOM 137 CA SER 9 13.219 -13.992 6.439 1.00 62.33 ATOM 138 HA SER 9 14.257 -13.951 6.135 1.00 45.30 ATOM 139 CB SER 9 12.963 -12.881 7.467 1.00 52.15 ATOM 140 HB1 SER 9 11.910 -12.854 7.711 1.00 37.30 ATOM 141 HB2 SER 9 13.259 -11.930 7.048 1.00 14.40 ATOM 142 OG SER 9 13.700 -13.099 8.663 1.00 62.24 ATOM 143 HG SER 9 13.382 -12.496 9.345 1.00 2.30 ATOM 144 C SER 9 12.950 -15.354 7.087 1.00 64.34 ATOM 145 O SER 9 11.799 -15.727 7.319 1.00 51.13 ATOM 146 N HIS 10 14.014 -16.101 7.367 1.00 63.53 ATOM 147 HN HIS 10 14.902 -15.781 7.099 1.00 37.30 ATOM 148 CA HIS 10 13.896 -17.386 8.061 1.00 62.52 ATOM 149 HA HIS 10 12.854 -17.676 8.049 1.00 63.43 ATOM 150 CB HIS 10 14.717 -18.470 7.341 1.00 43.41 ATOM 151 HB1 HIS 10 15.732 -18.118 7.212 1.00 37.30 ATOM 152 HB2 HIS 10 14.282 -18.654 6.370 1.00 1.42 ATOM 153 CG HIS 10 14.770 -19.782 8.080 1.00 2.31 ATOM 154 ND1 HIS 10 15.878 -20.204 8.786 1.00 4.41 ATOM 155 HD1 HIS 10 16.721 -19.707 8.884 1.00 12.53 ATOM 156 CD2 HIS 10 13.848 -20.768 8.220 1.00 42.34 ATOM 157 HD2 HIS 10 12.851 -20.777 7.802 1.00 73.22 ATOM 158 CE1 HIS 10 15.639 -21.382 9.324 1.00 61.11 ATOM 159 HE1 HIS 10 16.329 -21.951 9.933 1.00 51.52 ATOM 160 NE2 HIS 10 14.415 -21.748 8.999 1.00 0.43 ATOM 161 HE2 HIS 10 14.041 -22.644 9.146 1.00 37.30 ATOM 162 C HIS 10 14.353 -17.273 9.522 1.00 73.54 ATOM 163 O HIS 10 15.549 -17.298 9.812 1.00 64.42 ATOM 164 N MET 11 13.402 -17.127 10.436 1.00 12.13 ATOM 165 HN MET 11 12.482 -16.958 10.146 1.00 37.30 ATOM 166 CA MET 11 13.704 -17.201 11.866 1.00 51.11 ATOM 167 HA MET 11 14.690 -16.778 12.020 1.00 1.11 ATOM 168 CB MET 11 12.679 -16.401 12.690 1.00 42.52 ATOM 169 HB1 MET 11 12.695 -15.373 12.356 1.00 37.30 ATOM 170 HB2 MET 11 12.969 -16.433 13.731 1.00 55.42 ATOM 171 CG MET 11 11.247 -16.916 12.580 1.00 73.23 ATOM 172 HG1 MET 11 11.232 -17.964 12.844 1.00 37.30 ATOM 173 HG2 MET 11 10.912 -16.800 11.558 1.00 44.34 ATOM 174 SD MET 11 10.102 -16.034 13.660 1.00 62.33 ATOM 175 CE MET 11 8.571 -16.896 13.309 1.00 22.41 ATOM 176 HE1 MET 11 8.332 -16.795 12.260 1.00 72.11 ATOM 177 HE2 MET 11 7.775 -16.471 13.902 1.00 61.34 ATOM 178 HE3 MET 11 8.683 -17.942 13.553 1.00 74.33 ATOM 179 C MET 11 13.720 -18.668 12.316 1.00 2.01 ATOM 180 O MET 11 12.865 -19.458 11.905 1.00 31.20 ATOM 181 N ASN 12 14.696 -19.042 13.133 1.00 20.20 ATOM 182 HN ASN 12 15.371 -18.384 13.410 1.00 37.30 ATOM 183 CA ASN 12 14.783 -20.413 13.635 1.00 0.25 ATOM 184 HA ASN 12 14.795 -21.079 12.783 1.00 54.05 ATOM 185 CB ASN 12 16.070 -20.615 14.447 1.00 44.10 ATOM 186 HB1 ASN 12 16.102 -21.635 14.807 1.00 37.30 ATOM 187 HB2 ASN 12 16.064 -19.944 15.291 1.00 13.44 ATOM 188 CG ASN 12 17.327 -20.350 13.641 1.00 65.35 ATOM 189 OD1 ASN 12 17.340 -19.530 12.724 1.00 54.34 ATOM 190 ND2 ASN 12 18.399 -21.035 13.976 1.00 54.44 ATOM 191 HD21 ASN 12 18.330 -21.674 14.717 1.00 71.34 ATOM 192 HD22 ASN 12 19.219 -20.884 13.463 1.00 42.23 ATOM 193 C ASN 12 13.565 -20.743 14.507 1.00 31.42 ATOM 194 O ASN 12 13.249 -20.009 15.444 1.00 11.41 ATOM 195 N SER 13 12.884 -21.847 14.201 1.00 45.11 ATOM 196 HN SER 13 13.155 -22.373 13.421 1.00 37.30 ATOM 197 CA SER 13 11.722 -22.284 14.993 1.00 75.43 ATOM 198 HA SER 13 10.941 -21.546 14.863 1.00 22.24 ATOM 199 CB SER 13 11.206 -23.643 14.497 1.00 41.35 ATOM 200 HB1 SER 13 10.390 -23.970 15.126 1.00 37.30 ATOM 201 HB2 SER 13 12.006 -24.367 14.541 1.00 3.21 ATOM 202 OG SER 13 10.742 -23.560 13.156 1.00 35.32 ATOM 203 HG SER 13 9.967 -22.981 13.123 1.00 12.01 ATOM 204 C SER 13 12.068 -22.374 16.484 1.00 64.34 ATOM 205 O SER 13 11.203 -22.226 17.347 1.00 11.33 ATOM 206 N ALA 14 13.345 -22.606 16.777 1.00 65.02 ATOM 207 HN ALA 14 13.979 -22.758 16.045 1.00 37.30 ATOM 208 CA ALA 14 13.831 -22.646 18.156 1.00 1.21 ATOM 209 HA ALA 14 13.233 -23.371 18.694 1.00 13.51 ATOM 210 CB ALA 14 15.278 -23.114 18.186 1.00 64.31 ATOM 211 HB1 ALA 14 15.359 -24.065 17.680 1.00 22.52 ATOM 212 HB2 ALA 14 15.602 -23.225 19.211 1.00 33.02 ATOM 213 HB3 ALA 14 15.906 -22.388 17.688 1.00 52.14 ATOM 214 C ALA 14 13.700 -21.280 18.852 1.00 2.11 ATOM 215 O ALA 14 13.359 -21.213 20.032 1.00 5.12 ATOM 216 N GLU 15 13.961 -20.199 18.109 1.00 1.21 ATOM 217 HN GLU 15 14.192 -20.317 17.164 1.00 37.30 ATOM 218 CA GLU 15 13.904 -18.836 18.662 1.00 34.24 ATOM 219 HA GLU 15 14.699 -18.749 19.391 1.00 63.31 ATOM 220 CB GLU 15 14.138 -17.795 17.557 1.00 75.12 ATOM 221 HB1 GLU 15 13.930 -16.811 17.957 1.00 37.30 ATOM 222 HB2 GLU 15 13.450 -17.992 16.745 1.00 24.21 ATOM 223 CG GLU 15 15.555 -17.790 16.990 1.00 2.23 ATOM 224 HG1 GLU 15 15.757 -18.759 16.559 1.00 37.30 ATOM 225 HG2 GLU 15 16.251 -17.608 17.797 1.00 53.12 ATOM 226 CD GLU 15 15.761 -16.721 15.922 1.00 54.44 ATOM 227 OE1 GLU 15 15.761 -15.523 16.272 1.00 34.31 ATOM 228 OE2 GLU 15 15.933 -17.069 14.733 1.00 51.41 ATOM 229 C GLU 15 12.564 -18.553 19.360 1.00 63.54 ATOM 230 O GLU 15 12.531 -18.222 20.547 1.00 22.43 ATOM 231 N GLN 16 11.461 -18.688 18.622 1.00 61.52 ATOM 232 HN GLN 16 11.543 -18.955 17.683 1.00 37.30 ATOM 233 CA GLN 16 10.130 -18.439 19.188 1.00 24.32 ATOM 234 HA GLN 16 10.144 -17.445 19.617 1.00 13.15 ATOM 235 CB GLN 16 9.040 -18.490 18.103 1.00 74.31 ATOM 236 HB1 GLN 16 9.333 -17.843 17.288 1.00 37.30 ATOM 237 HB2 GLN 16 8.114 -18.120 18.523 1.00 11.32 ATOM 238 CG GLN 16 8.778 -19.881 17.534 1.00 50.14 ATOM 239 HG1 GLN 16 8.636 -20.573 18.353 1.00 37.30 ATOM 240 HG2 GLN 16 9.636 -20.188 16.954 1.00 1.43 ATOM 241 CD GLN 16 7.545 -19.922 16.642 1.00 11.04 ATOM 242 OE1 GLN 16 6.431 -20.139 17.111 1.00 55.42 ATOM 243 NE2 GLN 16 7.731 -19.725 15.352 1.00 62.02 ATOM 244 HE21 GLN 16 8.640 -19.567 15.033 1.00 3.53 ATOM 245 HE22 GLN 16 6.946 -19.750 14.768 1.00 32.52 ATOM 246 C GLN 16 9.804 -19.443 20.305 1.00 42.13 ATOM 247 O GLN 16 9.109 -19.108 21.260 1.00 24.14 ATOM 248 N THR 17 10.322 -20.670 20.185 1.00 51.44 ATOM 249 HN THR 17 10.848 -20.890 19.390 1.00 37.30 ATOM 250 CA THR 17 10.114 -21.701 21.215 1.00 42.01 ATOM 251 HA THR 17 9.045 -21.821 21.346 1.00 14.13 ATOM 252 CB THR 17 10.707 -23.071 20.798 1.00 20.53 ATOM 253 HB THR 17 11.773 -22.958 20.659 1.00 2.11 ATOM 254 OG1 THR 17 10.121 -23.506 19.562 1.00 64.04 ATOM 255 HG1 THR 17 10.694 -23.265 18.828 1.00 73.23 ATOM 256 CG2 THR 17 10.463 -24.134 21.868 1.00 2.04 ATOM 257 HG21 THR 17 10.921 -23.826 22.797 1.00 53.40 ATOM 258 HG22 THR 17 10.894 -25.073 21.550 1.00 62.01 ATOM 259 HG23 THR 17 9.398 -24.262 22.017 1.00 24.13 ATOM 260 C THR 17 10.728 -21.274 22.555 1.00 44.33 ATOM 261 O THR 17 10.142 -21.494 23.614 1.00 54.24 ATOM 262 N VAL 18 11.910 -20.654 22.503 1.00 42.12 ATOM 263 HN VAL 18 12.368 -20.569 21.639 1.00 37.30 ATOM 264 CA VAL 18 12.542 -20.099 23.707 1.00 70.33 ATOM 265 HA VAL 18 12.728 -20.917 24.392 1.00 23.32 ATOM 266 CB VAL 18 13.895 -19.411 23.381 1.00 40.32 ATOM 267 HB VAL 18 13.700 -18.599 22.691 1.00 14.24 ATOM 268 CG1 VAL 18 14.527 -18.815 24.638 1.00 62.22 ATOM 269 HG11 VAL 18 15.471 -18.352 24.384 1.00 24.12 ATOM 270 HG12 VAL 18 14.696 -19.597 25.365 1.00 72.34 ATOM 271 HG13 VAL 18 13.864 -18.072 25.059 1.00 43.30 ATOM 272 CG2 VAL 18 14.856 -20.385 22.703 1.00 14.05 ATOM 273 HG21 VAL 18 14.422 -20.737 21.780 1.00 22.53 ATOM 274 HG22 VAL 18 15.041 -21.226 23.357 1.00 32.21 ATOM 275 HG23 VAL 18 15.790 -19.884 22.492 1.00 53.50 ATOM 276 C VAL 18 11.612 -19.082 24.385 1.00 62.31 ATOM 277 O VAL 18 11.246 -19.237 25.550 1.00 43.25 ATOM 278 N THR 19 11.220 -18.050 23.636 1.00 0.10 ATOM 279 HN THR 19 11.573 -17.966 22.723 1.00 37.30 ATOM 280 CA THR 19 10.286 -17.028 24.134 1.00 21.34 ATOM 281 HA THR 19 10.762 -16.517 24.961 1.00 24.40 ATOM 282 CB THR 19 9.961 -15.985 23.035 1.00 45.53 ATOM 283 HB THR 19 9.431 -16.484 22.233 1.00 53.44 ATOM 284 OG1 THR 19 11.178 -15.428 22.510 1.00 75.55 ATOM 285 HG1 THR 19 11.048 -14.491 22.322 1.00 44.13 ATOM 286 CG2 THR 19 9.078 -14.864 23.578 1.00 15.14 ATOM 287 HG21 THR 19 9.594 -14.353 24.378 1.00 4.02 ATOM 288 HG22 THR 19 8.155 -15.282 23.953 1.00 64.23 ATOM 289 HG23 THR 19 8.860 -14.162 22.787 1.00 50.54 ATOM 290 C THR 19 8.973 -17.663 24.625 1.00 13.31 ATOM 291 O THR 19 8.396 -17.239 25.629 1.00 41.21 ATOM 292 N TRP 20 8.519 -18.688 23.909 1.00 41.12 ATOM 293 HN TRP 20 9.018 -18.957 23.109 1.00 37.30 ATOM 294 CA TRP 20 7.296 -19.425 24.256 1.00 35.51 ATOM 295 HA TRP 20 6.479 -18.718 24.274 1.00 24.43 ATOM 296 CB TRP 20 7.017 -20.476 23.171 1.00 41.11 ATOM 297 HB1 TRP 20 7.859 -21.153 23.116 1.00 37.30 ATOM 298 HB2 TRP 20 6.912 -19.976 22.219 1.00 70.01 ATOM 299 CG TRP 20 5.778 -21.294 23.391 1.00 22.24 ATOM 300 CD1 TRP 20 4.522 -20.833 23.658 1.00 33.34 ATOM 301 HD1 TRP 20 4.265 -19.789 23.763 1.00 4.10 ATOM 302 CD2 TRP 20 5.680 -22.722 23.329 1.00 75.45 ATOM 303 NE1 TRP 20 3.651 -21.889 23.774 1.00 13.34 ATOM 304 HE1 TRP 20 2.694 -21.817 23.968 1.00 61.12 ATOM 305 CE2 TRP 20 4.338 -23.058 23.576 1.00 45.42 ATOM 306 CE3 TRP 20 6.600 -23.748 23.090 1.00 0.23 ATOM 307 HE3 TRP 20 7.645 -23.530 22.899 1.00 40.44 ATOM 308 CZ2 TRP 20 3.893 -24.374 23.592 1.00 4.41 ATOM 309 HZ2 TRP 20 2.861 -24.625 23.783 1.00 2.23 ATOM 310 CZ3 TRP 20 6.158 -25.057 23.105 1.00 53.42 ATOM 311 HZ3 TRP 20 6.855 -25.864 22.925 1.00 45.43 ATOM 312 CH2 TRP 20 4.813 -25.360 23.355 1.00 40.23 ATOM 313 HH2 TRP 20 4.508 -26.396 23.359 1.00 12.24 ATOM 314 C TRP 20 7.407 -20.085 25.644 1.00 23.53 ATOM 315 O TRP 20 6.492 -19.993 26.465 1.00 62.43 ATOM 316 N LEU 21 8.538 -20.731 25.908 1.00 21.25 ATOM 317 HN LEU 21 9.223 -20.800 25.208 1.00 37.30 ATOM 318 CA LEU 21 8.787 -21.346 27.216 1.00 22.43 ATOM 319 HA LEU 21 7.951 -21.992 27.442 1.00 33.02 ATOM 320 CB LEU 21 10.068 -22.192 27.171 1.00 72.14 ATOM 321 HB1 LEU 21 10.248 -22.588 28.161 1.00 37.30 ATOM 322 HB2 LEU 21 10.893 -21.541 26.911 1.00 32.31 ATOM 323 CG LEU 21 10.052 -23.369 26.179 1.00 31.41 ATOM 324 HG LEU 21 9.922 -22.980 25.179 1.00 24.32 ATOM 325 CD1 LEU 21 11.379 -24.121 26.213 1.00 33.43 ATOM 326 HD11 LEU 21 12.181 -23.448 25.952 1.00 12.33 ATOM 327 HD12 LEU 21 11.350 -24.936 25.504 1.00 34.12 ATOM 328 HD13 LEU 21 11.547 -24.515 27.206 1.00 12.03 ATOM 329 CD2 LEU 21 8.887 -24.312 26.470 1.00 12.44 ATOM 330 HD21 LEU 21 7.956 -23.775 26.373 1.00 5.53 ATOM 331 HD22 LEU 21 8.975 -24.701 27.475 1.00 60.23 ATOM 332 HD23 LEU 21 8.903 -25.132 25.766 1.00 60.20 ATOM 333 C LEU 21 8.895 -20.281 28.323 1.00 22.43 ATOM 334 O LEU 21 8.495 -20.511 29.469 1.00 35.03 ATOM 335 N ILE 22 9.427 -19.112 27.971 1.00 21.30 ATOM 336 HN ILE 22 9.747 -18.993 27.049 1.00 37.30 ATOM 337 CA ILE 22 9.562 -18.002 28.922 1.00 3.34 ATOM 338 HA ILE 22 10.035 -18.389 29.815 1.00 24.00 ATOM 339 CB ILE 22 10.462 -16.877 28.348 1.00 63.20 ATOM 340 HB ILE 22 9.999 -16.507 27.443 1.00 71.34 ATOM 341 CG1 ILE 22 11.857 -17.426 28.007 1.00 41.50 ATOM 342 HG11 ILE 22 11.750 -18.296 27.375 1.00 37.30 ATOM 343 HG12 ILE 22 12.358 -17.714 28.920 1.00 11.41 ATOM 344 CG2 ILE 22 10.571 -15.710 29.334 1.00 64.50 ATOM 345 HG21 ILE 22 11.179 -14.928 28.901 1.00 43.53 ATOM 346 HG22 ILE 22 11.026 -16.052 30.252 1.00 0.51 ATOM 347 HG23 ILE 22 9.584 -15.321 29.545 1.00 74.21 ATOM 348 CD1 ILE 22 12.749 -16.436 27.287 1.00 4.15 ATOM 349 HD11 ILE 22 12.894 -15.562 27.904 1.00 2.22 ATOM 350 HD12 ILE 22 12.287 -16.146 26.354 1.00 53.54 ATOM 351 HD13 ILE 22 13.707 -16.896 27.085 1.00 65.00 ATOM 352 C ILE 22 8.191 -17.409 29.304 1.00 2.10 ATOM 353 O ILE 22 7.881 -17.257 30.488 1.00 41.13 ATOM 354 N THR 23 7.370 -17.092 28.298 1.00 14.11 ATOM 355 HN THR 23 7.658 -17.270 27.376 1.00 37.30 ATOM 356 CA THR 23 6.050 -16.473 28.531 1.00 64.11 ATOM 357 HA THR 23 6.215 -15.579 29.118 1.00 44.12 ATOM 358 CB THR 23 5.361 -16.048 27.206 1.00 35.20 ATOM 359 HB THR 23 5.985 -15.312 26.717 1.00 40.44 ATOM 360 OG1 THR 23 4.081 -15.460 27.479 1.00 53.50 ATOM 361 HG1 THR 23 3.983 -14.657 26.953 1.00 41.35 ATOM 362 CG2 THR 23 5.177 -17.230 26.261 1.00 55.40 ATOM 363 HG21 THR 23 4.693 -16.896 25.355 1.00 22.33 ATOM 364 HG22 THR 23 4.566 -17.984 26.738 1.00 45.02 ATOM 365 HG23 THR 23 6.142 -17.653 26.019 1.00 60.41 ATOM 366 C THR 23 5.101 -17.395 29.313 1.00 3.33 ATOM 367 O THR 23 4.236 -16.925 30.057 1.00 20.33 ATOM 368 N LEU 24 5.257 -18.707 29.138 1.00 33.23 ATOM 369 HN LEU 24 5.916 -19.027 28.484 1.00 37.30 ATOM 370 CA LEU 24 4.453 -19.686 29.883 1.00 32.03 ATOM 371 HA LEU 24 3.442 -19.306 29.939 1.00 11.22 ATOM 372 CB LEU 24 4.431 -21.032 29.145 1.00 0.22 ATOM 373 HB1 LEU 24 3.896 -21.746 29.755 1.00 37.30 ATOM 374 HB2 LEU 24 5.453 -21.374 29.038 1.00 22.42 ATOM 375 CG LEU 24 3.782 -21.010 27.750 1.00 3.24 ATOM 376 HG LEU 24 4.329 -20.322 27.119 1.00 74.52 ATOM 377 CD1 LEU 24 3.850 -22.389 27.104 1.00 74.01 ATOM 378 HD11 LEU 24 3.373 -22.358 26.135 1.00 41.30 ATOM 379 HD12 LEU 24 3.344 -23.107 27.732 1.00 31.22 ATOM 380 HD13 LEU 24 4.884 -22.681 26.985 1.00 51.04 ATOM 381 CD2 LEU 24 2.334 -20.531 27.826 1.00 55.30 ATOM 382 HD21 LEU 24 1.896 -20.546 26.838 1.00 63.13 ATOM 383 HD22 LEU 24 2.306 -19.523 28.214 1.00 31.23 ATOM 384 HD23 LEU 24 1.770 -21.184 28.479 1.00 51.42 ATOM 385 C LEU 24 4.979 -19.878 31.317 1.00 60.32 ATOM 386 O LEU 24 4.377 -20.597 32.115 1.00 43.31 ATOM 387 N GLY 25 6.105 -19.236 31.629 1.00 24.24 ATOM 388 HN GLY 25 6.551 -18.694 30.944 1.00 37.30 ATOM 389 CA GLY 25 6.676 -19.306 32.973 1.00 64.41 ATOM 390 HA1 GLY 25 5.884 -19.157 33.694 1.00 37.30 ATOM 391 HA2 GLY 25 7.395 -18.508 33.083 1.00 40.35 ATOM 392 C GLY 25 7.373 -20.631 33.280 1.00 64.53 ATOM 393 O GLY 25 7.758 -20.884 34.422 1.00 12.52 ATOM 394 N VAL 26 7.553 -21.475 32.263 1.00 40.52 ATOM 395 HN VAL 26 7.283 -21.201 31.362 1.00 37.30 ATOM 396 CA VAL 26 8.150 -22.804 32.465 1.00 1.33 ATOM 397 HA VAL 26 7.849 -23.152 33.447 1.00 22.12 ATOM 398 CB VAL 26 7.627 -23.823 31.421 1.00 71.33 ATOM 399 HB VAL 26 7.954 -24.811 31.722 1.00 30.33 ATOM 400 CG1 VAL 26 6.102 -23.819 31.401 1.00 40.31 ATOM 401 HG11 VAL 26 5.747 -22.829 31.153 1.00 33.23 ATOM 402 HG12 VAL 26 5.728 -24.101 32.375 1.00 61.20 ATOM 403 HG13 VAL 26 5.749 -24.524 30.664 1.00 33.23 ATOM 404 CG2 VAL 26 8.187 -23.543 30.028 1.00 12.44 ATOM 405 HG21 VAL 26 7.796 -24.268 29.327 1.00 4.21 ATOM 406 HG22 VAL 26 9.266 -23.612 30.050 1.00 31.24 ATOM 407 HG23 VAL 26 7.897 -22.549 29.716 1.00 24.42 ATOM 408 C VAL 26 9.685 -22.755 32.419 1.00 2.12 ATOM 409 O VAL 26 10.367 -23.573 33.046 1.00 74.22 ATOM 410 N LEU 27 10.217 -21.790 31.671 1.00 13.12 ATOM 411 HN LEU 27 9.617 -21.189 31.180 1.00 37.30 ATOM 412 CA LEU 27 11.664 -21.594 31.554 1.00 75.00 ATOM 413 HA LEU 27 12.149 -22.229 32.284 1.00 13.42 ATOM 414 CB LEU 27 12.143 -21.991 30.148 1.00 40.15 ATOM 415 HB1 LEU 27 11.650 -21.348 29.431 1.00 37.30 ATOM 416 HB2 LEU 27 11.830 -23.009 29.961 1.00 10.14 ATOM 417 CG LEU 27 13.662 -21.897 29.912 1.00 15.15 ATOM 418 HG LEU 27 13.987 -20.886 30.119 1.00 43.10 ATOM 419 CD1 LEU 27 14.422 -22.829 30.854 1.00 50.22 ATOM 420 HD11 LEU 27 14.135 -23.854 30.662 1.00 5.20 ATOM 421 HD12 LEU 27 14.188 -22.575 31.878 1.00 64.42 ATOM 422 HD13 LEU 27 15.485 -22.717 30.692 1.00 2.23 ATOM 423 CD2 LEU 27 14.005 -22.208 28.456 1.00 4.35 ATOM 424 HD21 LEU 27 13.679 -23.210 28.213 1.00 22.12 ATOM 425 HD22 LEU 27 15.073 -22.133 28.314 1.00 11.11 ATOM 426 HD23 LEU 27 13.506 -21.500 27.809 1.00 31.21 ATOM 427 C LEU 27 12.039 -20.132 31.843 1.00 31.01 ATOM 428 O LEU 27 11.292 -19.210 31.505 1.00 71.12 ATOM 429 N GLU 28 13.191 -19.928 32.478 1.00 35.41 ATOM 430 HN GLU 28 13.733 -20.699 32.734 1.00 37.30 ATOM 431 CA GLU 28 13.672 -18.583 32.806 1.00 44.12 ATOM 432 HA GLU 28 12.843 -18.030 33.226 1.00 73.41 ATOM 433 CB GLU 28 14.791 -18.665 33.856 1.00 5.12 ATOM 434 HB1 GLU 28 14.393 -19.124 34.750 1.00 37.30 ATOM 435 HB2 GLU 28 15.120 -17.662 34.095 1.00 52.33 ATOM 436 CG GLU 28 16.004 -19.473 33.402 1.00 21.44 ATOM 437 HG1 GLU 28 16.401 -19.026 32.501 1.00 37.30 ATOM 438 HG2 GLU 28 15.689 -20.485 33.189 1.00 64.05 ATOM 439 CD GLU 28 17.104 -19.516 34.449 1.00 1.23 ATOM 440 OE1 GLU 28 17.051 -20.390 35.342 1.00 73.44 ATOM 441 OE2 GLU 28 18.019 -18.669 34.393 1.00 40.23 ATOM 442 C GLU 28 14.176 -17.836 31.560 1.00 51.53 ATOM 443 O GLU 28 14.481 -18.443 30.533 1.00 73.14 ATOM 444 N SER 29 14.259 -16.514 31.662 1.00 42.20 ATOM 445 HN SER 29 13.998 -16.088 32.505 1.00 37.30 ATOM 446 CA SER 29 14.729 -15.671 30.553 1.00 62.23 ATOM 447 HA SER 29 14.365 -16.105 29.632 1.00 53.34 ATOM 448 CB SER 29 14.160 -14.254 30.690 1.00 3.13 ATOM 449 HB1 SER 29 14.461 -13.839 31.641 1.00 37.30 ATOM 450 HB2 SER 29 13.082 -14.295 30.642 1.00 4.24 ATOM 451 OG SER 29 14.626 -13.402 29.654 1.00 62.04 ATOM 452 HG SER 29 14.228 -13.670 28.813 1.00 33.31 ATOM 453 C SER 29 16.264 -15.608 30.499 1.00 43.55 ATOM 454 O SER 29 16.927 -15.512 31.536 1.00 34.12 ATOM 455 N PRO 30 16.856 -15.651 29.285 1.00 61.24 ATOM 456 CA PRO 30 18.318 -15.584 29.114 1.00 45.11 ATOM 457 HA PRO 30 18.814 -16.349 29.697 1.00 50.33 ATOM 458 CB PRO 30 18.512 -15.870 27.616 1.00 52.42 ATOM 459 HB1 PRO 30 18.693 -16.924 27.466 1.00 37.30 ATOM 460 HB2 PRO 30 19.351 -15.299 27.237 1.00 23.44 ATOM 461 CG PRO 30 17.229 -15.444 26.986 1.00 54.32 ATOM 462 HG1 PRO 30 17.067 -15.993 26.068 1.00 37.30 ATOM 463 HG2 PRO 30 17.251 -14.380 26.788 1.00 24.23 ATOM 464 CD PRO 30 16.156 -15.771 27.990 1.00 3.35 ATOM 465 HD1 PRO 30 15.789 -16.778 27.842 1.00 37.30 ATOM 466 HD2 PRO 30 15.344 -15.060 27.920 1.00 70.52 ATOM 467 C PRO 30 18.902 -14.209 29.484 1.00 22.21 ATOM 468 O PRO 30 18.172 -13.229 29.668 1.00 53.12 ATOM 469 N LYS 31 20.225 -14.138 29.575 1.00 13.34 ATOM 470 HN LYS 31 20.758 -14.938 29.372 1.00 37.30 ATOM 471 CA LYS 31 20.912 -12.904 29.963 1.00 5.35 ATOM 472 HA LYS 31 20.207 -12.284 30.500 1.00 71.22 ATOM 473 CB LYS 31 22.088 -13.239 30.891 1.00 11.31 ATOM 474 HB1 LYS 31 22.557 -12.318 31.208 1.00 37.30 ATOM 475 HB2 LYS 31 22.810 -13.827 30.341 1.00 22.24 ATOM 476 CG LYS 31 21.685 -14.026 32.139 1.00 43.33 ATOM 477 HG1 LYS 31 22.581 -14.329 32.664 1.00 37.30 ATOM 478 HG2 LYS 31 21.136 -14.906 31.832 1.00 5.52 ATOM 479 CD LYS 31 20.808 -13.204 33.083 1.00 11.11 ATOM 480 HD1 LYS 31 20.454 -13.846 33.879 1.00 37.30 ATOM 481 HD2 LYS 31 19.963 -12.817 32.531 1.00 64.35 ATOM 482 CE LYS 31 21.577 -12.037 33.691 1.00 52.24 ATOM 483 HE1 LYS 31 21.942 -11.408 32.893 1.00 37.30 ATOM 484 HE2 LYS 31 22.415 -12.425 34.253 1.00 55.54 ATOM 485 NZ LYS 31 20.736 -11.217 34.600 1.00 31.34 ATOM 486 HZ1 LYS 31 19.943 -10.797 34.076 1.00 64.23 ATOM 487 HZ2 LYS 31 21.306 -10.453 35.018 1.00 24.40 ATOM 488 HZ3 LYS 31 20.355 -11.806 35.368 1.00 11.14 ATOM 489 C LYS 31 21.413 -12.128 28.734 1.00 1.02 ATOM 490 O LYS 31 21.212 -10.916 28.624 1.00 32.10 ATOM 491 N LYS 32 22.055 -12.836 27.803 1.00 14.35 ATOM 492 HN LYS 32 22.130 -13.808 27.912 1.00 37.30 ATOM 493 CA LYS 32 22.649 -12.204 26.614 1.00 23.12 ATOM 494 HA LYS 32 22.292 -11.185 26.566 1.00 4.43 ATOM 495 CB LYS 32 24.181 -12.182 26.746 1.00 11.01 ATOM 496 HB1 LYS 32 24.598 -11.695 25.874 1.00 37.30 ATOM 497 HB2 LYS 32 24.544 -13.199 26.785 1.00 32.44 ATOM 498 CG LYS 32 24.680 -11.448 27.988 1.00 43.34 ATOM 499 HG1 LYS 32 24.361 -11.993 28.866 1.00 37.30 ATOM 500 HG2 LYS 32 24.248 -10.456 28.005 1.00 72.43 ATOM 501 CD LYS 32 26.199 -11.322 28.008 1.00 71.50 ATOM 502 HD1 LYS 32 26.511 -10.725 27.162 1.00 37.30 ATOM 503 HD2 LYS 32 26.634 -12.309 27.931 1.00 1.43 ATOM 504 CE LYS 32 26.695 -10.663 29.291 1.00 32.51 ATOM 505 HE1 LYS 32 27.767 -10.540 29.225 1.00 37.30 ATOM 506 HE2 LYS 32 26.461 -11.307 30.125 1.00 45.01 ATOM 507 NZ LYS 32 26.070 -9.332 29.521 1.00 72.14 ATOM 508 HZ1 LYS 32 26.193 -8.729 28.682 1.00 44.51 ATOM 509 HZ2 LYS 32 26.518 -8.864 30.335 1.00 52.44 ATOM 510 HZ3 LYS 32 25.052 -9.440 29.714 1.00 1.32 ATOM 511 C LYS 32 22.231 -12.922 25.316 1.00 14.24 ATOM 512 O LYS 32 21.268 -13.691 25.302 1.00 62.55 ATOM 513 N THR 33 22.956 -12.651 24.226 1.00 15.43 ATOM 514 HN THR 33 23.731 -12.054 24.307 1.00 37.30 ATOM 515 CA THR 33 22.634 -13.214 22.906 1.00 61.21 ATOM 516 HA THR 33 21.597 -12.987 22.696 1.00 3.45 ATOM 517 CB THR 33 23.502 -12.573 21.790 1.00 21.33 ATOM 518 HB THR 33 24.540 -12.811 21.983 1.00 65.14 ATOM 519 OG1 THR 33 23.348 -11.147 21.793 1.00 73.41 ATOM 520 HG1 THR 33 24.019 -10.751 21.225 1.00 62.13 ATOM 521 CG2 THR 33 23.127 -13.118 20.414 1.00 53.52 ATOM 522 HG21 THR 33 23.259 -14.192 20.400 1.00 73.30 ATOM 523 HG22 THR 33 23.762 -12.669 19.664 1.00 35.21 ATOM 524 HG23 THR 33 22.095 -12.879 20.201 1.00 64.35 ATOM 525 C THR 33 22.826 -14.740 22.860 1.00 51.11 ATOM 526 O THR 33 23.934 -15.249 23.051 1.00 62.13 ATOM 527 N ILE 34 21.739 -15.465 22.599 1.00 35.42 ATOM 528 HN ILE 34 20.876 -15.010 22.512 1.00 37.30 ATOM 529 CA ILE 34 21.794 -16.921 22.437 1.00 22.35 ATOM 530 HA ILE 34 22.475 -17.317 23.178 1.00 72.32 ATOM 531 CB ILE 34 20.400 -17.564 22.658 1.00 34.52 ATOM 532 HB ILE 34 19.719 -17.145 21.929 1.00 30.33 ATOM 533 CG1 ILE 34 19.873 -17.245 24.070 1.00 12.21 ATOM 534 HG11 ILE 34 19.820 -16.171 24.192 1.00 37.30 ATOM 535 HG12 ILE 34 20.555 -17.651 24.803 1.00 64.34 ATOM 536 CG2 ILE 34 20.458 -19.077 22.430 1.00 64.52 ATOM 537 HG21 ILE 34 21.157 -19.523 23.124 1.00 13.53 ATOM 538 HG22 ILE 34 20.782 -19.278 21.417 1.00 32.34 ATOM 539 HG23 ILE 34 19.478 -19.506 22.582 1.00 2.32 ATOM 540 CD1 ILE 34 18.498 -17.813 24.355 1.00 5.41 ATOM 541 HD11 ILE 34 17.790 -17.419 23.640 1.00 11.44 ATOM 542 HD12 ILE 34 18.194 -17.533 25.353 1.00 4.32 ATOM 543 HD13 ILE 34 18.528 -18.890 24.276 1.00 2.42 ATOM 544 C ILE 34 22.307 -17.291 21.034 1.00 14.43 ATOM 545 O ILE 34 21.612 -17.087 20.038 1.00 10.13 ATOM 546 N SER 35 23.527 -17.824 20.959 1.00 30.24 ATOM 547 HN SER 35 24.037 -17.968 21.785 1.00 37.30 ATOM 548 CA SER 35 24.126 -18.194 19.667 1.00 11.44 ATOM 549 HA SER 35 23.925 -17.391 18.970 1.00 43.15 ATOM 550 CB SER 35 25.645 -18.364 19.799 1.00 1.53 ATOM 551 HB1 SER 35 25.856 -19.199 20.451 1.00 37.30 ATOM 552 HB2 SER 35 26.072 -17.465 20.219 1.00 33.25 ATOM 553 OG SER 35 26.248 -18.608 18.535 1.00 51.30 ATOM 554 HG SER 35 26.508 -19.534 18.478 1.00 35.50 ATOM 555 C SER 35 23.511 -19.487 19.114 1.00 12.41 ATOM 556 O SER 35 23.316 -19.627 17.907 1.00 25.04 ATOM 557 N ASP 36 23.213 -20.434 20.003 1.00 60.35 ATOM 558 HN ASP 36 23.413 -20.274 20.950 1.00 37.30 ATOM 559 CA ASP 36 22.598 -21.707 19.609 1.00 34.13 ATOM 560 HA ASP 36 22.466 -21.698 18.535 1.00 70.33 ATOM 561 CB ASP 36 23.516 -22.877 19.984 1.00 34.30 ATOM 562 HB1 ASP 36 23.086 -23.799 19.615 1.00 37.30 ATOM 563 HB2 ASP 36 23.597 -22.931 21.060 1.00 75.33 ATOM 564 CG ASP 36 24.908 -22.729 19.399 1.00 40.30 ATOM 565 OD1 ASP 36 25.867 -22.526 20.173 1.00 41.03 ATOM 566 OD2 ASP 36 25.050 -22.808 18.162 1.00 32.32 ATOM 567 C ASP 36 21.224 -21.894 20.276 1.00 13.22 ATOM 568 O ASP 36 21.136 -22.417 21.387 1.00 21.42 ATOM 569 N PRO 37 20.131 -21.462 19.615 1.00 75.31 ATOM 570 CA PRO 37 18.771 -21.594 20.168 1.00 21.42 ATOM 571 HA PRO 37 18.687 -21.076 21.114 1.00 53.31 ATOM 572 CB PRO 37 17.877 -20.904 19.123 1.00 21.34 ATOM 573 HB1 PRO 37 17.150 -20.280 19.624 1.00 37.30 ATOM 574 HB2 PRO 37 17.367 -21.649 18.534 1.00 41.22 ATOM 575 CG PRO 37 18.805 -20.088 18.281 1.00 22.34 ATOM 576 HG1 PRO 37 18.912 -19.101 18.705 1.00 37.30 ATOM 577 HG2 PRO 37 18.423 -20.021 17.271 1.00 53.14 ATOM 578 CD PRO 37 20.125 -20.810 18.294 1.00 72.25 ATOM 579 HD1 PRO 37 20.943 -20.110 18.205 1.00 37.30 ATOM 580 HD2 PRO 37 20.167 -21.545 17.501 1.00 4.35 ATOM 581 C PRO 37 18.353 -23.063 20.360 1.00 63.41 ATOM 582 O PRO 37 17.878 -23.447 21.430 1.00 13.53 ATOM 583 N GLU 38 18.529 -23.879 19.315 1.00 41.12 ATOM 584 HN GLU 38 18.852 -23.504 18.468 1.00 37.30 ATOM 585 CA GLU 38 18.229 -25.315 19.397 1.00 52.22 ATOM 586 HA GLU 38 17.178 -25.412 19.636 1.00 11.45 ATOM 587 CB GLU 38 18.496 -26.015 18.049 1.00 54.32 ATOM 588 HB1 GLU 38 18.350 -27.079 18.180 1.00 37.30 ATOM 589 HB2 GLU 38 19.525 -25.842 17.766 1.00 74.21 ATOM 590 CG GLU 38 17.596 -25.549 16.897 1.00 11.42 ATOM 591 HG1 GLU 38 16.635 -25.264 17.306 1.00 37.30 ATOM 592 HG2 GLU 38 17.454 -26.376 16.217 1.00 63.33 ATOM 593 CD GLU 38 18.161 -24.366 16.113 1.00 53.10 ATOM 594 OE1 GLU 38 18.141 -23.232 16.629 1.00 11.15 ATOM 595 OE2 GLU 38 18.617 -24.570 14.966 1.00 1.52 ATOM 596 C GLU 38 19.044 -25.992 20.514 1.00 4.32 ATOM 597 O GLU 38 18.502 -26.745 21.325 1.00 12.14 ATOM 598 N GLY 39 20.346 -25.703 20.559 1.00 35.44 ATOM 599 HN GLY 39 20.730 -25.128 19.867 1.00 37.30 ATOM 600 CA GLY 39 21.201 -26.238 21.618 1.00 5.04 ATOM 601 HA1 GLY 39 22.217 -25.920 21.437 1.00 37.30 ATOM 602 HA2 GLY 39 21.162 -27.319 21.585 1.00 23.24 ATOM 603 C GLY 39 20.783 -25.767 23.013 1.00 1.30 ATOM 604 O GLY 39 20.832 -26.530 23.981 1.00 43.33 ATOM 605 N PHE 40 20.371 -24.504 23.107 1.00 33.15 ATOM 606 HN PHE 40 20.407 -23.937 22.307 1.00 37.30 ATOM 607 CA PHE 40 19.867 -23.929 24.359 1.00 24.44 ATOM 608 HA PHE 40 20.650 -24.014 25.098 1.00 40.11 ATOM 609 CB PHE 40 19.533 -22.443 24.149 1.00 63.54 ATOM 610 HB1 PHE 40 18.829 -22.355 23.333 1.00 37.30 ATOM 611 HB2 PHE 40 20.438 -21.915 23.889 1.00 53.02 ATOM 612 CG PHE 40 18.934 -21.763 25.358 1.00 52.10 ATOM 613 CD1 PHE 40 19.735 -21.377 26.424 1.00 15.13 ATOM 614 HD1 PHE 40 20.798 -21.568 26.384 1.00 23.31 ATOM 615 CD2 PHE 40 17.569 -21.507 25.425 1.00 63.53 ATOM 616 HD2 PHE 40 16.933 -21.799 24.600 1.00 1.40 ATOM 617 CE1 PHE 40 19.189 -20.754 27.530 1.00 35.52 ATOM 618 HE1 PHE 40 19.824 -20.459 28.352 1.00 54.41 ATOM 619 CE2 PHE 40 17.020 -20.883 26.530 1.00 0.23 ATOM 620 HE2 PHE 40 15.957 -20.691 26.571 1.00 33.21 ATOM 621 CZ PHE 40 17.830 -20.506 27.584 1.00 4.02 ATOM 622 HZ PHE 40 17.403 -20.019 28.449 1.00 20.54 ATOM 623 C PHE 40 18.627 -24.689 24.858 1.00 22.41 ATOM 624 O PHE 40 18.532 -25.049 26.035 1.00 41.25 ATOM 625 N LEU 41 17.679 -24.929 23.953 1.00 44.13 ATOM 626 HN LEU 41 17.800 -24.594 23.037 1.00 37.30 ATOM 627 CA LEU 41 16.462 -25.677 24.284 1.00 14.34 ATOM 628 HA LEU 41 15.960 -25.149 25.081 1.00 21.33 ATOM 629 CB LEU 41 15.528 -25.744 23.067 1.00 45.22 ATOM 630 HB1 LEU 41 14.698 -26.394 23.312 1.00 37.30 ATOM 631 HB2 LEU 41 16.073 -26.186 22.243 1.00 32.21 ATOM 632 CG LEU 41 14.959 -24.395 22.602 1.00 73.03 ATOM 633 HG LEU 41 15.779 -23.730 22.368 1.00 62.34 ATOM 634 CD1 LEU 41 14.127 -24.569 21.335 1.00 3.32 ATOM 635 HD11 LEU 41 13.747 -23.607 21.018 1.00 2.14 ATOM 636 HD12 LEU 41 13.299 -25.236 21.532 1.00 24.13 ATOM 637 HD13 LEU 41 14.746 -24.984 20.553 1.00 75.14 ATOM 638 CD2 LEU 41 14.131 -23.751 23.711 1.00 10.23 ATOM 639 HD21 LEU 41 14.766 -23.542 24.559 1.00 3.50 ATOM 640 HD22 LEU 41 13.342 -24.424 24.011 1.00 21.34 ATOM 641 HD23 LEU 41 13.699 -22.828 23.352 1.00 1.44 ATOM 642 C LEU 41 16.790 -27.095 24.768 1.00 34.54 ATOM 643 O LEU 41 16.306 -27.530 25.812 1.00 40.04 ATOM 644 N GLN 42 17.628 -27.803 24.011 1.00 14.15 ATOM 645 HN GLN 42 17.982 -27.399 23.187 1.00 37.30 ATOM 646 CA GLN 42 18.035 -29.169 24.368 1.00 74.30 ATOM 647 HA GLN 42 17.152 -29.793 24.324 1.00 12.02 ATOM 648 CB GLN 42 19.061 -29.689 23.342 1.00 3.24 ATOM 649 HB1 GLN 42 19.949 -29.074 23.402 1.00 37.30 ATOM 650 HB2 GLN 42 18.639 -29.585 22.352 1.00 4.13 ATOM 651 CG GLN 42 19.479 -31.152 23.529 1.00 12.21 ATOM 652 HG1 GLN 42 19.846 -31.528 22.584 1.00 37.30 ATOM 653 HG2 GLN 42 18.612 -31.725 23.823 1.00 60.54 ATOM 654 CD GLN 42 20.565 -31.350 24.579 1.00 74.14 ATOM 655 OE1 GLN 42 21.407 -30.484 24.793 1.00 41.05 ATOM 656 NE2 GLN 42 20.555 -32.487 25.246 1.00 4.05 ATOM 657 HE21 GLN 42 19.857 -33.140 25.039 1.00 23.12 ATOM 658 HE22 GLN 42 21.253 -32.631 25.918 1.00 51.34 ATOM 659 C GLN 42 18.607 -29.228 25.796 1.00 31.45 ATOM 660 O GLN 42 18.196 -30.059 26.604 1.00 14.44 ATOM 661 N ALA 43 19.539 -28.327 26.104 1.00 45.41 ATOM 662 HN ALA 43 19.810 -27.673 25.424 1.00 37.30 ATOM 663 CA ALA 43 20.177 -28.285 27.429 1.00 35.15 ATOM 664 HA ALA 43 20.574 -29.270 27.633 1.00 40.11 ATOM 665 CB ALA 43 21.348 -27.305 27.412 1.00 3.54 ATOM 666 HB1 ALA 43 20.982 -26.309 27.208 1.00 63.15 ATOM 667 HB2 ALA 43 22.051 -27.593 26.644 1.00 40.13 ATOM 668 HB3 ALA 43 21.843 -27.315 28.374 1.00 73.14 ATOM 669 C ALA 43 19.182 -27.912 28.547 1.00 15.54 ATOM 670 O ALA 43 19.334 -28.337 29.695 1.00 62.14 ATOM 671 N SER 44 18.169 -27.113 28.206 1.00 44.35 ATOM 672 HN SER 44 18.102 -26.803 27.276 1.00 37.30 ATOM 673 CA SER 44 17.154 -26.672 29.183 1.00 61.34 ATOM 674 HA SER 44 17.658 -26.486 30.120 1.00 72.34 ATOM 675 CB SER 44 16.488 -25.368 28.715 1.00 3.41 ATOM 676 HB1 SER 44 15.745 -25.064 29.440 1.00 37.30 ATOM 677 HB2 SER 44 16.008 -25.533 27.760 1.00 44.14 ATOM 678 OG SER 44 17.437 -24.322 28.569 1.00 32.53 ATOM 679 HG SER 44 17.828 -24.360 27.688 1.00 25.01 ATOM 680 C SER 44 16.072 -27.741 29.412 1.00 34.34 ATOM 681 O SER 44 15.535 -27.870 30.514 1.00 35.25 ATOM 682 N LEU 45 15.755 -28.501 28.364 1.00 73.55 ATOM 683 HN LEU 45 16.239 -28.370 27.521 1.00 37.30 ATOM 684 CA LEU 45 14.701 -29.529 28.425 1.00 3.23 ATOM 685 HA LEU 45 14.000 -29.244 29.198 1.00 24.34 ATOM 686 CB LEU 45 13.958 -29.593 27.080 1.00 75.23 ATOM 687 HB1 LEU 45 13.159 -30.317 27.168 1.00 37.30 ATOM 688 HB2 LEU 45 14.652 -29.941 26.327 1.00 52.31 ATOM 689 CG LEU 45 13.352 -28.267 26.595 1.00 71.03 ATOM 690 HG LEU 45 14.145 -27.539 26.492 1.00 64.20 ATOM 691 CD1 LEU 45 12.705 -28.444 25.225 1.00 61.21 ATOM 692 HD11 LEU 45 13.449 -28.776 24.516 1.00 11.31 ATOM 693 HD12 LEU 45 12.292 -27.502 24.896 1.00 30.15 ATOM 694 HD13 LEU 45 11.916 -29.180 25.289 1.00 44.14 ATOM 695 CD2 LEU 45 12.347 -27.725 27.608 1.00 0.52 ATOM 696 HD21 LEU 45 11.565 -28.453 27.768 1.00 50.44 ATOM 697 HD22 LEU 45 11.914 -26.809 27.231 1.00 55.24 ATOM 698 HD23 LEU 45 12.848 -27.525 28.544 1.00 44.15 ATOM 699 C LEU 45 15.272 -30.916 28.765 1.00 12.44 ATOM 700 O LEU 45 14.522 -31.856 29.026 1.00 13.24 ATOM 701 N LYS 46 16.600 -31.024 28.771 1.00 51.20 ATOM 702 HN LYS 46 17.133 -30.217 28.611 1.00 37.30 ATOM 703 CA LYS 46 17.305 -32.300 28.988 1.00 0.41 ATOM 704 HA LYS 46 17.114 -32.927 28.129 1.00 3.12 ATOM 705 CB LYS 46 18.816 -32.030 29.070 1.00 5.13 ATOM 706 HB1 LYS 46 19.013 -31.433 29.951 1.00 37.30 ATOM 707 HB2 LYS 46 19.113 -31.465 28.196 1.00 3.23 ATOM 708 CG LYS 46 19.683 -33.284 29.140 1.00 14.25 ATOM 709 HG1 LYS 46 19.478 -33.903 28.278 1.00 37.30 ATOM 710 HG2 LYS 46 19.441 -33.828 30.043 1.00 64.32 ATOM 711 CD LYS 46 21.170 -32.927 29.156 1.00 75.40 ATOM 712 HD1 LYS 46 21.372 -32.316 30.026 1.00 37.30 ATOM 713 HD2 LYS 46 21.402 -32.367 28.264 1.00 1.52 ATOM 714 CE LYS 46 22.064 -34.161 29.203 1.00 43.14 ATOM 715 HE1 LYS 46 21.866 -34.769 28.332 1.00 37.30 ATOM 716 HE2 LYS 46 21.837 -34.726 30.096 1.00 33.12 ATOM 717 NZ LYS 46 23.506 -33.793 29.218 1.00 43.53 ATOM 718 HZ1 LYS 46 23.691 -33.102 29.977 1.00 74.31 ATOM 719 HZ2 LYS 46 23.781 -33.368 28.308 1.00 62.33 ATOM 720 HZ3 LYS 46 24.091 -34.636 29.385 1.00 62.14 ATOM 721 C LYS 46 16.830 -33.043 30.258 1.00 54.52 ATOM 722 O LYS 46 16.693 -34.267 30.258 1.00 21.11 ATOM 723 N ASP 47 16.586 -32.300 31.337 1.00 44.42 ATOM 724 HN ASP 47 16.707 -31.327 31.280 1.00 37.30 ATOM 725 CA ASP 47 16.149 -32.896 32.610 1.00 42.14 ATOM 726 HA ASP 47 16.659 -33.845 32.712 1.00 45.10 ATOM 727 CB ASP 47 16.569 -31.997 33.778 1.00 30.23 ATOM 728 HB1 ASP 47 17.640 -32.068 33.911 1.00 37.30 ATOM 729 HB2 ASP 47 16.080 -32.334 34.681 1.00 44.42 ATOM 730 CG ASP 47 16.209 -30.542 33.549 1.00 34.42 ATOM 731 OD1 ASP 47 15.153 -30.096 34.044 1.00 65.42 ATOM 732 OD2 ASP 47 16.988 -29.836 32.875 1.00 43.33 ATOM 733 C ASP 47 14.629 -33.165 32.652 1.00 70.22 ATOM 734 O ASP 47 14.121 -33.753 33.610 1.00 54.42 ATOM 735 N GLY 48 13.908 -32.722 31.621 1.00 45.13 ATOM 736 HN GLY 48 14.354 -32.202 30.921 1.00 37.30 ATOM 737 CA GLY 48 12.478 -33.017 31.503 1.00 42.13 ATOM 738 HA1 GLY 48 12.313 -34.043 31.806 1.00 37.30 ATOM 739 HA2 GLY 48 12.198 -32.922 30.464 1.00 20.25 ATOM 740 C GLY 48 11.562 -32.111 32.331 1.00 34.02 ATOM 741 O GLY 48 10.418 -31.870 31.943 1.00 2.34 ATOM 742 N VAL 49 12.056 -31.604 33.463 1.00 23.23 ATOM 743 HN VAL 49 12.995 -31.773 33.688 1.00 37.30 ATOM 744 CA VAL 49 11.232 -30.803 34.387 1.00 55.31 ATOM 745 HA VAL 49 10.484 -31.462 34.809 1.00 71.12 ATOM 746 CB VAL 49 12.079 -30.234 35.555 1.00 10.54 ATOM 747 HB VAL 49 12.792 -29.530 35.145 1.00 13.22 ATOM 748 CG1 VAL 49 11.198 -29.484 36.557 1.00 74.33 ATOM 749 HG11 VAL 49 11.809 -29.102 37.362 1.00 32.33 ATOM 750 HG12 VAL 49 10.454 -30.158 36.960 1.00 74.34 ATOM 751 HG13 VAL 49 10.703 -28.660 36.061 1.00 52.43 ATOM 752 CG2 VAL 49 12.860 -31.352 36.246 1.00 64.52 ATOM 753 HG21 VAL 49 13.510 -31.835 35.530 1.00 3.15 ATOM 754 HG22 VAL 49 12.171 -32.078 36.652 1.00 62.22 ATOM 755 HG23 VAL 49 13.455 -30.935 37.046 1.00 0.11 ATOM 756 C VAL 49 10.511 -29.643 33.674 1.00 51.34 ATOM 757 O VAL 49 9.320 -29.410 33.894 1.00 1.53 ATOM 758 N VAL 50 11.232 -28.927 32.813 1.00 61.00 ATOM 759 HN VAL 50 12.180 -29.144 32.694 1.00 37.30 ATOM 760 CA VAL 50 10.643 -27.817 32.049 1.00 71.31 ATOM 761 HA VAL 50 10.247 -27.106 32.763 1.00 14.34 ATOM 762 CB VAL 50 11.709 -27.091 31.189 1.00 11.51 ATOM 763 HB VAL 50 12.094 -27.794 30.462 1.00 35.02 ATOM 764 CG1 VAL 50 11.097 -25.911 30.432 1.00 62.44 ATOM 765 HG11 VAL 50 11.859 -25.429 29.837 1.00 24.42 ATOM 766 HG12 VAL 50 10.689 -25.199 31.137 1.00 23.01 ATOM 767 HG13 VAL 50 10.308 -26.266 29.785 1.00 42.31 ATOM 768 CG2 VAL 50 12.873 -26.626 32.061 1.00 24.20 ATOM 769 HG21 VAL 50 12.512 -25.940 32.815 1.00 52.44 ATOM 770 HG22 VAL 50 13.609 -26.128 31.445 1.00 65.01 ATOM 771 HG23 VAL 50 13.328 -27.480 32.541 1.00 75.11 ATOM 772 C VAL 50 9.491 -28.301 31.147 1.00 44.02 ATOM 773 O VAL 50 8.490 -27.603 30.973 1.00 23.03 ATOM 774 N LEU 51 9.632 -29.507 30.591 1.00 33.12 ATOM 775 HN LEU 51 10.455 -30.010 30.752 1.00 37.30 ATOM 776 CA LEU 51 8.578 -30.106 29.757 1.00 54.45 ATOM 777 HA LEU 51 8.320 -29.391 28.988 1.00 43.21 ATOM 778 CB LEU 51 9.083 -31.394 29.090 1.00 35.12 ATOM 779 HB1 LEU 51 8.245 -31.875 28.605 1.00 37.30 ATOM 780 HB2 LEU 51 9.451 -32.053 29.865 1.00 50.44 ATOM 781 CG LEU 51 10.197 -31.206 28.047 1.00 33.20 ATOM 782 HG LEU 51 11.039 -30.719 28.518 1.00 61.23 ATOM 783 CD1 LEU 51 10.674 -32.556 27.517 1.00 62.42 ATOM 784 HD11 LEU 51 9.847 -33.078 27.057 1.00 60.33 ATOM 785 HD12 LEU 51 11.064 -33.148 28.333 1.00 24.24 ATOM 786 HD13 LEU 51 11.452 -32.400 26.784 1.00 12.10 ATOM 787 CD2 LEU 51 9.715 -30.314 26.902 1.00 13.11 ATOM 788 HD21 LEU 51 10.502 -30.212 26.168 1.00 71.54 ATOM 789 HD22 LEU 51 9.460 -29.338 27.288 1.00 22.33 ATOM 790 HD23 LEU 51 8.843 -30.755 26.439 1.00 13.34 ATOM 791 C LEU 51 7.324 -30.411 30.588 1.00 72.03 ATOM 792 O LEU 51 6.199 -30.159 30.153 1.00 60.24 ATOM 793 N CYS 52 7.526 -30.955 31.788 1.00 20.41 ATOM 794 HN CYS 52 8.442 -31.192 32.057 1.00 37.30 ATOM 795 CA CYS 52 6.419 -31.221 32.714 1.00 2.43 ATOM 796 HA CYS 52 5.739 -31.908 32.228 1.00 61.22 ATOM 797 CB CYS 52 6.947 -31.866 34.001 1.00 64.20 ATOM 798 HB1 CYS 52 6.111 -32.117 34.639 1.00 37.30 ATOM 799 HB2 CYS 52 7.585 -31.161 34.513 1.00 52.31 ATOM 800 SG CYS 52 7.911 -33.374 33.732 1.00 51.41 ATOM 801 HG CYS 52 7.382 -34.028 32.704 1.00 22.23 ATOM 802 C CYS 52 5.663 -29.924 33.041 1.00 35.53 ATOM 803 O CYS 52 4.431 -29.894 33.046 1.00 73.25 ATOM 804 N ARG 53 6.416 -28.851 33.304 1.00 1.32 ATOM 805 HN ARG 53 7.389 -28.961 33.375 1.00 37.30 ATOM 806 CA ARG 53 5.827 -27.519 33.495 1.00 74.24 ATOM 807 HA ARG 53 5.170 -27.559 34.353 1.00 32.35 ATOM 808 CB ARG 53 6.926 -26.475 33.745 1.00 32.30 ATOM 809 HB1 ARG 53 6.461 -25.501 33.826 1.00 37.30 ATOM 810 HB2 ARG 53 7.595 -26.467 32.895 1.00 61.44 ATOM 811 CG ARG 53 7.764 -26.704 34.997 1.00 41.01 ATOM 812 HG1 ARG 53 8.207 -27.688 34.952 1.00 37.30 ATOM 813 HG2 ARG 53 7.125 -26.633 35.867 1.00 12.35 ATOM 814 CD ARG 53 8.875 -25.659 35.107 1.00 43.03 ATOM 815 HD1 ARG 53 8.425 -24.676 35.106 1.00 37.30 ATOM 816 HD2 ARG 53 9.524 -25.755 34.247 1.00 73.14 ATOM 817 NE ARG 53 9.672 -25.813 36.320 1.00 73.31 ATOM 818 HE ARG 53 9.293 -26.348 37.044 1.00 72.13 ATOM 819 CZ ARG 53 10.851 -25.269 36.500 1.00 2.30 ATOM 820 NH1 ARG 53 11.395 -24.541 35.574 1.00 33.14 ATOM 821 HH11 ARG 53 10.919 -24.387 34.711 1.00 24.31 ATOM 822 HH12 ARG 53 12.294 -24.132 35.730 1.00 2.52 ATOM 823 NH2 ARG 53 11.477 -25.446 37.617 1.00 40.34 ATOM 824 HH21 ARG 53 11.065 -25.993 38.341 1.00 10.14 ATOM 825 HH22 ARG 53 12.381 -25.039 37.750 1.00 54.44 ATOM 826 C ARG 53 5.021 -27.100 32.254 1.00 13.25 ATOM 827 O ARG 53 3.887 -26.629 32.357 1.00 44.14 ATOM 828 N LEU 54 5.637 -27.279 31.084 1.00 62.31 ATOM 829 HN LEU 54 6.535 -27.673 31.085 1.00 37.30 ATOM 830 CA LEU 54 5.035 -26.915 29.794 1.00 72.21 ATOM 831 HA LEU 54 4.925 -25.841 29.773 1.00 34.14 ATOM 832 CB LEU 54 5.982 -27.339 28.657 1.00 44.21 ATOM 833 HB1 LEU 54 6.112 -28.412 28.711 1.00 37.30 ATOM 834 HB2 LEU 54 6.944 -26.873 28.829 1.00 41.34 ATOM 835 CG LEU 54 5.527 -26.985 27.233 1.00 12.10 ATOM 836 HG LEU 54 4.575 -27.459 27.038 1.00 41.31 ATOM 837 CD1 LEU 54 5.337 -25.479 27.085 1.00 21.14 ATOM 838 HD11 LEU 54 4.581 -25.140 27.779 1.00 14.40 ATOM 839 HD12 LEU 54 5.023 -25.251 26.077 1.00 15.31 ATOM 840 HD13 LEU 54 6.269 -24.973 27.294 1.00 62.11 ATOM 841 CD2 LEU 54 6.531 -27.508 26.207 1.00 44.54 ATOM 842 HD21 LEU 54 6.633 -28.578 26.316 1.00 35.33 ATOM 843 HD22 LEU 54 7.490 -27.037 26.365 1.00 11.15 ATOM 844 HD23 LEU 54 6.179 -27.283 25.210 1.00 11.11 ATOM 845 C LEU 54 3.652 -27.558 29.608 1.00 65.34 ATOM 846 O LEU 54 2.668 -26.872 29.314 1.00 4.13 ATOM 847 N LEU 55 3.579 -28.873 29.800 1.00 44.04 ATOM 848 HN LEU 55 4.391 -29.365 30.052 1.00 37.30 ATOM 849 CA LEU 55 2.321 -29.604 29.637 1.00 11.12 ATOM 850 HA LEU 55 1.924 -29.352 28.663 1.00 40.44 ATOM 851 CB LEU 55 2.564 -31.119 29.687 1.00 2.44 ATOM 852 HB1 LEU 55 2.861 -31.382 30.693 1.00 37.30 ATOM 853 HB2 LEU 55 3.381 -31.350 29.019 1.00 44.23 ATOM 854 CG LEU 55 1.355 -31.992 29.298 1.00 31.54 ATOM 855 HG LEU 55 0.545 -31.803 29.989 1.00 35.04 ATOM 856 CD1 LEU 55 0.861 -31.640 27.896 1.00 51.12 ATOM 857 HD11 LEU 55 0.559 -30.603 27.869 1.00 72.21 ATOM 858 HD12 LEU 55 0.017 -32.265 27.643 1.00 54.35 ATOM 859 HD13 LEU 55 1.655 -31.802 27.179 1.00 24.23 ATOM 860 CD2 LEU 55 1.709 -33.475 29.384 1.00 41.23 ATOM 861 HD21 LEU 55 0.860 -34.067 29.074 1.00 14.55 ATOM 862 HD22 LEU 55 1.966 -33.724 30.401 1.00 74.41 ATOM 863 HD23 LEU 55 2.550 -33.686 28.737 1.00 65.40 ATOM 864 C LEU 55 1.288 -29.191 30.700 1.00 45.20 ATOM 865 O LEU 55 0.099 -29.138 30.418 1.00 31.13 ATOM 866 N GLU 56 1.746 -28.892 31.916 1.00 42.03 ATOM 867 HN GLU 56 2.703 -28.996 32.106 1.00 37.30 ATOM 868 CA GLU 56 0.848 -28.423 32.985 1.00 51.15 ATOM 869 HA GLU 56 0.018 -29.115 33.036 1.00 23.55 ATOM 870 CB GLU 56 1.573 -28.429 34.339 1.00 2.10 ATOM 871 HB1 GLU 56 1.011 -27.828 35.042 1.00 37.30 ATOM 872 HB2 GLU 56 2.552 -27.989 34.211 1.00 13.31 ATOM 873 CG GLU 56 1.752 -29.820 34.939 1.00 31.50 ATOM 874 HG1 GLU 56 2.328 -29.734 35.850 1.00 37.30 ATOM 875 HG2 GLU 56 2.294 -30.435 34.234 1.00 32.20 ATOM 876 CD GLU 56 0.425 -30.495 35.263 1.00 73.03 ATOM 877 OE1 GLU 56 0.104 -31.530 34.639 1.00 62.23 ATOM 878 OE2 GLU 56 -0.307 -29.993 36.143 1.00 12.41 ATOM 879 C GLU 56 0.286 -27.018 32.700 1.00 3.44 ATOM 880 O GLU 56 -0.799 -26.669 33.168 1.00 52.22 ATOM 881 N ARG 57 1.031 -26.206 31.952 1.00 1.04 ATOM 882 HN ARG 57 1.909 -26.516 31.640 1.00 37.30 ATOM 883 CA ARG 57 0.575 -24.855 31.595 1.00 61.00 ATOM 884 HA ARG 57 0.106 -24.427 32.472 1.00 51.43 ATOM 885 CB ARG 57 1.772 -23.975 31.199 1.00 14.02 ATOM 886 HB1 ARG 57 1.404 -23.041 30.796 1.00 37.30 ATOM 887 HB2 ARG 57 2.341 -24.486 30.434 1.00 74.01 ATOM 888 CG ARG 57 2.712 -23.657 32.358 1.00 64.32 ATOM 889 HG1 ARG 57 3.576 -23.131 31.974 1.00 37.30 ATOM 890 HG2 ARG 57 3.030 -24.582 32.816 1.00 63.41 ATOM 891 CD ARG 57 2.036 -22.790 33.417 1.00 43.25 ATOM 892 HD1 ARG 57 2.712 -22.677 34.254 1.00 37.30 ATOM 893 HD2 ARG 57 1.136 -23.284 33.748 1.00 11.05 ATOM 894 NE ARG 57 1.692 -21.463 32.905 1.00 53.33 ATOM 895 HE ARG 57 2.133 -21.169 32.086 1.00 62.14 ATOM 896 CZ ARG 57 0.860 -20.641 33.493 1.00 32.14 ATOM 897 NH1 ARG 57 0.204 -21.002 34.548 1.00 0.14 ATOM 898 HH11 ARG 57 0.323 -21.918 34.922 1.00 1.14 ATOM 899 HH12 ARG 57 -0.430 -20.363 34.983 1.00 24.14 ATOM 900 NH2 ARG 57 0.659 -19.465 32.993 1.00 41.22 ATOM 901 HH21 ARG 57 1.127 -19.191 32.157 1.00 30.30 ATOM 902 HH22 ARG 57 0.043 -18.828 33.456 1.00 33.24 ATOM 903 C ARG 57 -0.461 -24.886 30.460 1.00 34.21 ATOM 904 O ARG 57 -1.391 -24.078 30.433 1.00 34.40 ATOM 905 N LEU 58 -0.289 -25.814 29.523 1.00 51.13 ATOM 906 HN LEU 58 0.485 -26.413 29.585 1.00 37.30 ATOM 907 CA LEU 58 -1.218 -25.959 28.394 1.00 63.52 ATOM 908 HA LEU 58 -1.609 -24.979 28.157 1.00 61.25 ATOM 909 CB LEU 58 -0.461 -26.501 27.174 1.00 53.52 ATOM 910 HB1 LEU 58 -1.155 -26.580 26.349 1.00 37.30 ATOM 911 HB2 LEU 58 -0.098 -27.491 27.414 1.00 21.41 ATOM 912 CG LEU 58 0.734 -25.645 26.719 1.00 61.42 ATOM 913 HG LEU 58 1.430 -25.550 27.542 1.00 62.25 ATOM 914 CD1 LEU 58 1.471 -26.315 25.565 1.00 54.01 ATOM 915 HD11 LEU 58 2.329 -25.720 25.290 1.00 53.51 ATOM 916 HD12 LEU 58 0.810 -26.403 24.715 1.00 14.24 ATOM 917 HD13 LEU 58 1.799 -27.300 25.867 1.00 3.12 ATOM 918 CD2 LEU 58 0.280 -24.239 26.325 1.00 51.03 ATOM 919 HD21 LEU 58 1.138 -23.655 26.023 1.00 11.31 ATOM 920 HD22 LEU 58 -0.196 -23.762 27.170 1.00 23.44 ATOM 921 HD23 LEU 58 -0.420 -24.300 25.505 1.00 1.44 ATOM 922 C LEU 58 -2.396 -26.884 28.753 1.00 32.23 ATOM 923 O LEU 58 -3.557 -26.551 28.520 1.00 63.32 ATOM 924 N LEU 59 -2.079 -28.049 29.314 1.00 44.40 ATOM 925 HN LEU 59 -1.136 -28.277 29.420 1.00 37.30 ATOM 926 CA LEU 59 -3.092 -29.004 29.784 1.00 74.13 ATOM 927 HA LEU 59 -4.070 -28.570 29.618 1.00 74.41 ATOM 928 CB LEU 59 -2.988 -30.319 28.993 1.00 53.14 ATOM 929 HB1 LEU 59 -3.740 -31.001 29.369 1.00 37.30 ATOM 930 HB2 LEU 59 -2.014 -30.749 29.183 1.00 30.14 ATOM 931 CG LEU 59 -3.172 -30.196 27.470 1.00 42.41 ATOM 932 HG LEU 59 -2.435 -29.506 27.082 1.00 71.10 ATOM 933 CD1 LEU 59 -2.947 -31.544 26.790 1.00 42.33 ATOM 934 HD11 LEU 59 -3.635 -32.273 27.193 1.00 24.20 ATOM 935 HD12 LEU 59 -1.932 -31.872 26.966 1.00 22.54 ATOM 936 HD13 LEU 59 -3.110 -31.444 25.727 1.00 43.14 ATOM 937 CD2 LEU 59 -4.556 -29.643 27.135 1.00 12.32 ATOM 938 HD21 LEU 59 -5.316 -30.286 27.555 1.00 11.35 ATOM 939 HD22 LEU 59 -4.678 -29.599 26.061 1.00 10.34 ATOM 940 HD23 LEU 59 -4.657 -28.649 27.547 1.00 21.03 ATOM 941 C LEU 59 -2.917 -29.282 31.292 1.00 34.14 ATOM 942 O LEU 59 -2.255 -30.248 31.683 1.00 2.43 ATOM 943 N PRO 60 -3.491 -28.423 32.160 1.00 32.43 ATOM 944 CA PRO 60 -3.322 -28.526 33.627 1.00 31.34 ATOM 945 HA PRO 60 -2.284 -28.405 33.904 1.00 15.54 ATOM 946 CB PRO 60 -4.134 -27.331 34.168 1.00 71.15 ATOM 947 HB1 PRO 60 -3.599 -26.867 34.986 1.00 37.30 ATOM 948 HB2 PRO 60 -5.101 -27.670 34.515 1.00 21.31 ATOM 949 CG PRO 60 -4.267 -26.400 33.010 1.00 43.54 ATOM 950 HG1 PRO 60 -3.403 -25.752 32.957 1.00 37.30 ATOM 951 HG2 PRO 60 -5.170 -25.813 33.111 1.00 41.30 ATOM 952 CD PRO 60 -4.340 -27.276 31.790 1.00 41.42 ATOM 953 HD1 PRO 60 -3.941 -26.761 30.928 1.00 37.30 ATOM 954 HD2 PRO 60 -5.360 -27.591 31.607 1.00 63.34 ATOM 955 C PRO 60 -3.846 -29.847 34.223 1.00 44.32 ATOM 956 O PRO 60 -5.010 -30.212 34.033 1.00 4.14 ATOM 957 N GLY 61 -2.983 -30.558 34.952 1.00 42.54 ATOM 958 HN GLY 61 -2.057 -30.241 35.045 1.00 37.30 ATOM 959 CA GLY 61 -3.394 -31.796 35.611 1.00 0.22 ATOM 960 HA1 GLY 61 -4.434 -31.712 35.895 1.00 37.30 ATOM 961 HA2 GLY 61 -2.804 -31.920 36.507 1.00 63.14 ATOM 962 C GLY 61 -3.223 -33.038 34.740 1.00 42.35 ATOM 963 O GLY 61 -4.032 -33.967 34.810 1.00 61.43 ATOM 964 N THR 62 -2.169 -33.065 33.927 1.00 5.21 ATOM 965 HN THR 62 -1.556 -32.298 33.921 1.00 37.30 ATOM 966 CA THR 62 -1.903 -34.204 33.033 1.00 30.41 ATOM 967 HA THR 62 -2.780 -34.844 33.037 1.00 72.24 ATOM 968 CB THR 62 -1.664 -33.735 31.575 1.00 42.15 ATOM 969 HB THR 62 -0.781 -33.111 31.553 1.00 70.00 ATOM 970 OG1 THR 62 -2.787 -32.965 31.113 1.00 63.54 ATOM 971 HG1 THR 62 -2.607 -32.026 31.250 1.00 73.21 ATOM 972 CG2 THR 62 -1.448 -34.920 30.640 1.00 63.12 ATOM 973 HG21 THR 62 -1.311 -34.565 29.629 1.00 2.43 ATOM 974 HG22 THR 62 -2.309 -35.573 30.678 1.00 44.44 ATOM 975 HG23 THR 62 -0.569 -35.469 30.950 1.00 52.44 ATOM 976 C THR 62 -0.692 -35.033 33.504 1.00 52.15 ATOM 977 O THR 62 -0.707 -36.264 33.441 1.00 72.41 ATOM 978 N ILE 63 0.356 -34.353 33.975 1.00 64.13 ATOM 979 HN ILE 63 0.315 -33.372 33.999 1.00 37.30 ATOM 980 CA ILE 63 1.568 -35.027 34.469 1.00 51.30 ATOM 981 HA ILE 63 1.897 -35.725 33.709 1.00 41.23 ATOM 982 CB ILE 63 2.710 -34.007 34.720 1.00 1.43 ATOM 983 HB ILE 63 2.364 -33.295 35.456 1.00 34.42 ATOM 984 CG1 ILE 63 3.061 -33.253 33.426 1.00 31.23 ATOM 985 HG11 ILE 63 3.802 -32.497 33.648 1.00 37.30 ATOM 986 HG12 ILE 63 2.171 -32.772 33.045 1.00 51.42 ATOM 987 CG2 ILE 63 3.947 -34.707 35.290 1.00 34.12 ATOM 988 HG21 ILE 63 3.701 -35.157 36.241 1.00 33.32 ATOM 989 HG22 ILE 63 4.739 -33.986 35.428 1.00 2.23 ATOM 990 HG23 ILE 63 4.277 -35.475 34.604 1.00 22.13 ATOM 991 CD1 ILE 63 3.612 -34.138 32.328 1.00 41.13 ATOM 992 HD11 ILE 63 3.835 -33.537 31.459 1.00 41.14 ATOM 993 HD12 ILE 63 2.880 -34.888 32.066 1.00 4.52 ATOM 994 HD13 ILE 63 4.515 -34.622 32.672 1.00 44.40 ATOM 995 C ILE 63 1.296 -35.800 35.772 1.00 20.41 ATOM 996 O ILE 63 0.807 -35.232 36.751 1.00 13.22 ATOM 997 N GLU 64 1.625 -37.091 35.788 1.00 54.21 ATOM 998 HN GLU 64 2.023 -37.494 34.985 1.00 37.30 ATOM 999 CA GLU 64 1.412 -37.929 36.975 1.00 64.43 ATOM 1000 HA GLU 64 0.527 -37.568 37.482 1.00 44.31 ATOM 1001 CB GLU 64 1.182 -39.389 36.555 1.00 54.21 ATOM 1002 HB1 GLU 64 2.059 -39.743 36.032 1.00 37.30 ATOM 1003 HB2 GLU 64 0.336 -39.427 35.882 1.00 32.35 ATOM 1004 CG GLU 64 0.904 -40.336 37.718 1.00 62.33 ATOM 1005 HG1 GLU 64 -0.012 -40.029 38.205 1.00 37.30 ATOM 1006 HG2 GLU 64 1.722 -40.273 38.423 1.00 5.35 ATOM 1007 CD GLU 64 0.757 -41.782 37.270 1.00 71.10 ATOM 1008 OE1 GLU 64 1.728 -42.558 37.409 1.00 23.22 ATOM 1009 OE2 GLU 64 -0.328 -42.148 36.769 1.00 34.51 ATOM 1010 C GLU 64 2.605 -37.840 37.941 1.00 11.41 ATOM 1011 O GLU 64 2.440 -37.566 39.135 1.00 23.21 ATOM 1012 N LYS 65 3.806 -38.064 37.415 1.00 61.22 ATOM 1013 HN LYS 65 3.873 -38.260 36.453 1.00 37.30 ATOM 1014 CA LYS 65 5.035 -38.040 38.221 1.00 71.23 ATOM 1015 HA LYS 65 4.781 -37.680 39.209 1.00 64.23 ATOM 1016 CB LYS 65 5.601 -39.464 38.341 1.00 71.11 ATOM 1017 HB1 LYS 65 5.686 -39.886 37.349 1.00 37.30 ATOM 1018 HB2 LYS 65 4.908 -40.065 38.913 1.00 13.52 ATOM 1019 CG LYS 65 6.973 -39.551 39.015 1.00 53.22 ATOM 1020 HG1 LYS 65 7.667 -38.925 38.469 1.00 37.30 ATOM 1021 HG2 LYS 65 7.314 -40.576 38.975 1.00 55.32 ATOM 1022 CD LYS 65 6.949 -39.101 40.480 1.00 22.32 ATOM 1023 HD1 LYS 65 6.409 -38.166 40.549 1.00 37.30 ATOM 1024 HD2 LYS 65 7.966 -38.947 40.810 1.00 70.42 ATOM 1025 CE LYS 65 6.288 -40.124 41.405 1.00 63.04 ATOM 1026 HE1 LYS 65 6.471 -39.830 42.430 1.00 37.30 ATOM 1027 HE2 LYS 65 6.737 -41.090 41.231 1.00 15.30 ATOM 1028 NZ LYS 65 4.818 -40.236 41.193 1.00 52.15 ATOM 1029 HZ1 LYS 65 4.614 -40.603 40.241 1.00 72.55 ATOM 1030 HZ2 LYS 65 4.366 -39.306 41.298 1.00 52.11 ATOM 1031 HZ3 LYS 65 4.408 -40.886 41.895 1.00 63.32 ATOM 1032 C LYS 65 6.097 -37.109 37.612 1.00 13.23 ATOM 1033 O LYS 65 6.336 -37.130 36.408 1.00 62.31 ATOM 1034 N VAL 66 6.730 -36.296 38.456 1.00 12.21 ATOM 1035 HN VAL 66 6.441 -36.260 39.393 1.00 37.30 ATOM 1036 CA VAL 66 7.847 -35.451 38.022 1.00 13.42 ATOM 1037 HA VAL 66 8.296 -35.917 37.153 1.00 51.32 ATOM 1038 CB VAL 66 7.379 -34.024 37.618 1.00 64.23 ATOM 1039 HB VAL 66 6.562 -34.126 36.916 1.00 21.22 ATOM 1040 CG1 VAL 66 6.866 -33.240 38.829 1.00 24.34 ATOM 1041 HG11 VAL 66 7.669 -33.109 39.542 1.00 55.24 ATOM 1042 HG12 VAL 66 6.056 -33.782 39.296 1.00 11.22 ATOM 1043 HG13 VAL 66 6.510 -32.270 38.509 1.00 54.25 ATOM 1044 CG2 VAL 66 8.508 -33.265 36.919 1.00 31.05 ATOM 1045 HG21 VAL 66 8.814 -33.806 36.033 1.00 22.02 ATOM 1046 HG22 VAL 66 9.349 -33.169 37.588 1.00 43.12 ATOM 1047 HG23 VAL 66 8.161 -32.281 36.635 1.00 64.23 ATOM 1048 C VAL 66 8.911 -35.338 39.122 1.00 73.43 ATOM 1049 O VAL 66 8.593 -35.288 40.311 1.00 50.03 ATOM 1050 N TYR 67 10.174 -35.311 38.718 1.00 71.23 ATOM 1051 HN TYR 67 10.367 -35.418 37.764 1.00 37.30 ATOM 1052 CA TYR 67 11.285 -35.128 39.652 1.00 51.23 ATOM 1053 HA TYR 67 10.888 -35.162 40.658 1.00 72.34 ATOM 1054 CB TYR 67 12.310 -36.259 39.491 1.00 2.21 ATOM 1055 HB1 TYR 67 13.157 -36.070 40.137 1.00 37.30 ATOM 1056 HB2 TYR 67 12.648 -36.287 38.464 1.00 51.40 ATOM 1057 CG TYR 67 11.753 -37.627 39.841 1.00 50.12 ATOM 1058 CD1 TYR 67 11.281 -38.488 38.855 1.00 21.21 ATOM 1059 HD1 TYR 67 11.322 -38.176 37.820 1.00 23.20 ATOM 1060 CD2 TYR 67 11.690 -38.050 41.164 1.00 3.01 ATOM 1061 HD2 TYR 67 12.053 -37.395 41.944 1.00 40.22 ATOM 1062 CE1 TYR 67 10.762 -39.727 39.178 1.00 45.45 ATOM 1063 HE1 TYR 67 10.402 -40.380 38.397 1.00 54.35 ATOM 1064 CE2 TYR 67 11.176 -39.288 41.493 1.00 61.12 ATOM 1065 HE2 TYR 67 11.138 -39.598 42.528 1.00 33.25 ATOM 1066 CZ TYR 67 10.713 -40.122 40.499 1.00 2.23 ATOM 1067 OH TYR 67 10.190 -41.353 40.831 1.00 14.43 ATOM 1068 HH TYR 67 10.549 -42.026 40.239 1.00 34.40 ATOM 1069 C TYR 67 11.952 -33.765 39.430 1.00 52.52 ATOM 1070 O TYR 67 12.746 -33.600 38.501 1.00 61.44 ATOM 1071 N PRO 68 11.631 -32.765 40.280 1.00 24.24 ATOM 1072 CA PRO 68 12.155 -31.392 40.134 1.00 53.21 ATOM 1073 HA PRO 68 11.830 -30.951 39.201 1.00 42.44 ATOM 1074 CB PRO 68 11.515 -30.635 41.311 1.00 64.33 ATOM 1075 HB1 PRO 68 10.655 -30.082 40.959 1.00 37.30 ATOM 1076 HB2 PRO 68 12.232 -29.951 41.740 1.00 42.15 ATOM 1077 CG PRO 68 11.117 -31.696 42.285 1.00 4.52 ATOM 1078 HG1 PRO 68 10.270 -31.364 42.869 1.00 37.30 ATOM 1079 HG2 PRO 68 11.950 -31.933 42.932 1.00 23.12 ATOM 1080 CD PRO 68 10.743 -32.892 41.454 1.00 52.33 ATOM 1081 HD1 PRO 68 9.704 -32.842 41.160 1.00 37.30 ATOM 1082 HD2 PRO 68 10.942 -33.808 41.994 1.00 34.11 ATOM 1083 C PRO 68 13.689 -31.331 40.212 1.00 61.42 ATOM 1084 O PRO 68 14.316 -30.385 39.728 1.00 71.51 ATOM 1085 N GLU 69 14.283 -32.351 40.829 1.00 44.44 ATOM 1086 HN GLU 69 13.724 -33.045 41.233 1.00 37.30 ATOM 1087 CA GLU 69 15.740 -32.471 40.927 1.00 2.11 ATOM 1088 HA GLU 69 16.176 -31.796 40.200 1.00 23.31 ATOM 1089 CB GLU 69 16.215 -32.053 42.330 1.00 14.44 ATOM 1090 HB1 GLU 69 16.065 -30.987 42.443 1.00 37.30 ATOM 1091 HB2 GLU 69 17.272 -32.265 42.419 1.00 20.24 ATOM 1092 CG GLU 69 15.491 -32.761 43.472 1.00 31.04 ATOM 1093 HG1 GLU 69 15.703 -33.820 43.415 1.00 37.30 ATOM 1094 HG2 GLU 69 14.426 -32.606 43.357 1.00 23.52 ATOM 1095 CD GLU 69 15.913 -32.252 44.840 1.00 11.23 ATOM 1096 OE1 GLU 69 15.225 -31.369 45.390 1.00 71.15 ATOM 1097 OE2 GLU 69 16.940 -32.726 45.370 1.00 12.51 ATOM 1098 C GLU 69 16.199 -33.907 40.591 1.00 33.23 ATOM 1099 O GLU 69 16.376 -34.746 41.478 1.00 33.45 ATOM 1100 N PRO 70 16.376 -34.216 39.292 1.00 3.05 ATOM 1101 CA PRO 70 16.795 -35.558 38.844 1.00 22.43 ATOM 1102 HA PRO 70 16.140 -36.324 39.237 1.00 32.03 ATOM 1103 CB PRO 70 16.639 -35.487 37.317 1.00 42.24 ATOM 1104 HB1 PRO 70 15.670 -35.874 37.034 1.00 37.30 ATOM 1105 HB2 PRO 70 17.415 -36.071 36.841 1.00 14.21 ATOM 1106 CG PRO 70 16.764 -34.037 36.987 1.00 24.43 ATOM 1107 HG1 PRO 70 16.209 -33.815 36.086 1.00 37.30 ATOM 1108 HG2 PRO 70 17.806 -33.779 36.857 1.00 53.41 ATOM 1109 CD PRO 70 16.182 -33.288 38.159 1.00 32.50 ATOM 1110 HD1 PRO 70 15.131 -33.089 37.999 1.00 37.30 ATOM 1111 HD2 PRO 70 16.720 -32.364 38.322 1.00 63.44 ATOM 1112 C PRO 70 18.249 -35.890 39.232 1.00 54.41 ATOM 1113 O PRO 70 19.173 -35.125 38.948 1.00 25.25 ATOM 1114 N ARG 71 18.441 -37.037 39.886 1.00 25.43 ATOM 1115 HN ARG 71 17.666 -37.609 40.084 1.00 37.30 ATOM 1116 CA ARG 71 19.776 -37.475 40.318 1.00 10.32 ATOM 1117 HA ARG 71 20.430 -36.614 40.286 1.00 11.33 ATOM 1118 CB ARG 71 19.720 -38.002 41.765 1.00 52.11 ATOM 1119 HB1 ARG 71 20.148 -38.996 41.797 1.00 37.30 ATOM 1120 HB2 ARG 71 18.686 -38.061 42.074 1.00 13.05 ATOM 1121 CG ARG 71 20.468 -37.130 42.771 1.00 11.32 ATOM 1122 HG1 ARG 71 21.517 -37.111 42.507 1.00 37.30 ATOM 1123 HG2 ARG 71 20.355 -37.558 43.757 1.00 35.34 ATOM 1124 CD ARG 71 19.938 -35.700 42.793 1.00 13.13 ATOM 1125 HD1 ARG 71 18.909 -35.715 43.125 1.00 37.30 ATOM 1126 HD2 ARG 71 19.986 -35.295 41.792 1.00 32.32 ATOM 1127 NE ARG 71 20.714 -34.845 43.688 1.00 61.22 ATOM 1128 HE ARG 71 21.348 -35.283 44.294 1.00 12.22 ATOM 1129 CZ ARG 71 20.624 -33.543 43.724 1.00 65.50 ATOM 1130 NH1 ARG 71 19.798 -32.909 42.953 1.00 42.34 ATOM 1131 HH11 ARG 71 19.219 -33.413 42.322 1.00 54.04 ATOM 1132 HH12 ARG 71 19.748 -31.910 42.992 1.00 10.32 ATOM 1133 NH2 ARG 71 21.361 -32.870 44.545 1.00 12.44 ATOM 1134 HH21 ARG 71 21.998 -33.344 45.151 1.00 21.31 ATOM 1135 HH22 ARG 71 21.297 -31.873 44.567 1.00 64.22 ATOM 1136 C ARG 71 20.350 -38.550 39.382 1.00 3.20 ATOM 1137 O ARG 71 21.498 -38.970 39.538 1.00 53.51 ATOM 1138 N SER 72 19.541 -39.004 38.428 1.00 13.42 ATOM 1139 HN SER 72 18.617 -38.679 38.392 1.00 37.30 ATOM 1140 CA SER 72 19.992 -39.993 37.443 1.00 64.32 ATOM 1141 HA SER 72 20.976 -39.693 37.109 1.00 0.33 ATOM 1142 CB SER 72 20.096 -41.384 38.083 1.00 25.23 ATOM 1143 HB1 SER 72 20.825 -41.357 38.880 1.00 37.30 ATOM 1144 HB2 SER 72 20.411 -42.098 37.338 1.00 52.21 ATOM 1145 OG SER 72 18.853 -41.813 38.620 1.00 13.21 ATOM 1146 HG SER 72 18.374 -41.051 38.978 1.00 70.03 ATOM 1147 C SER 72 19.070 -40.057 36.219 1.00 43.22 ATOM 1148 O SER 72 17.960 -39.513 36.223 1.00 53.14 ATOM 1149 N GLU 73 19.545 -40.745 35.180 1.00 4.43 ATOM 1150 HN GLU 73 20.428 -41.170 35.267 1.00 37.30 ATOM 1151 CA GLU 73 18.819 -40.888 33.910 1.00 21.14 ATOM 1152 HA GLU 73 18.794 -39.915 33.440 1.00 60.02 ATOM 1153 CB GLU 73 19.587 -41.855 32.992 1.00 51.12 ATOM 1154 HB1 GLU 73 19.749 -42.782 33.527 1.00 37.30 ATOM 1155 HB2 GLU 73 20.548 -41.419 32.757 1.00 31.12 ATOM 1156 CG GLU 73 18.881 -42.180 31.678 1.00 5.23 ATOM 1157 HG1 GLU 73 18.645 -41.254 31.172 1.00 37.30 ATOM 1158 HG2 GLU 73 17.964 -42.708 31.898 1.00 15.12 ATOM 1159 CD GLU 73 19.725 -43.044 30.751 1.00 3.44 ATOM 1160 OE1 GLU 73 20.121 -42.558 29.669 1.00 24.35 ATOM 1161 OE2 GLU 73 20.004 -44.210 31.105 1.00 35.51 ATOM 1162 C GLU 73 17.371 -41.377 34.109 1.00 32.23 ATOM 1163 O GLU 73 16.458 -40.935 33.407 1.00 5.32 ATOM 1164 N SER 74 17.163 -42.273 35.076 1.00 64.24 ATOM 1165 HN SER 74 17.920 -42.563 35.630 1.00 37.30 ATOM 1166 CA SER 74 15.827 -42.838 35.335 1.00 64.32 ATOM 1167 HA SER 74 15.499 -43.307 34.417 1.00 45.34 ATOM 1168 CB SER 74 15.887 -43.916 36.430 1.00 14.34 ATOM 1169 HB1 SER 74 16.434 -44.771 36.056 1.00 37.30 ATOM 1170 HB2 SER 74 14.883 -44.223 36.685 1.00 73.45 ATOM 1171 OG SER 74 16.529 -43.447 37.607 1.00 5.42 ATOM 1172 HG SER 74 16.061 -42.674 37.948 1.00 12.22 ATOM 1173 C SER 74 14.800 -41.756 35.705 1.00 73.22 ATOM 1174 O SER 74 13.616 -41.882 35.380 1.00 72.22 ATOM 1175 N GLU 75 15.243 -40.691 36.381 1.00 35.52 ATOM 1176 HN GLU 75 16.181 -40.667 36.678 1.00 37.30 ATOM 1177 CA GLU 75 14.354 -39.557 36.682 1.00 4.41 ATOM 1178 HA GLU 75 13.407 -39.964 37.011 1.00 72.24 ATOM 1179 CB GLU 75 14.917 -38.657 37.800 1.00 4.42 ATOM 1180 HB1 GLU 75 14.335 -37.746 37.832 1.00 37.30 ATOM 1181 HB2 GLU 75 15.938 -38.404 37.556 1.00 63.13 ATOM 1182 CG GLU 75 14.905 -39.272 39.199 1.00 62.43 ATOM 1183 HG1 GLU 75 13.992 -39.839 39.321 1.00 37.30 ATOM 1184 HG2 GLU 75 14.923 -38.473 39.928 1.00 64.45 ATOM 1185 CD GLU 75 16.085 -40.187 39.461 1.00 11.33 ATOM 1186 OE1 GLU 75 17.171 -39.675 39.804 1.00 40.55 ATOM 1187 OE2 GLU 75 15.932 -41.416 39.348 1.00 0.32 ATOM 1188 C GLU 75 14.106 -38.701 35.429 1.00 15.44 ATOM 1189 O GLU 75 12.963 -38.392 35.091 1.00 14.20 ATOM 1190 N CYS 76 15.189 -38.324 34.745 1.00 2.43 ATOM 1191 HN CYS 76 16.072 -38.625 35.053 1.00 37.30 ATOM 1192 CA CYS 76 15.108 -37.472 33.546 1.00 61.21 ATOM 1193 HA CYS 76 14.749 -36.501 33.855 1.00 3.31 ATOM 1194 CB CYS 76 16.500 -37.307 32.923 1.00 54.22 ATOM 1195 HB1 CYS 76 16.432 -36.643 32.072 1.00 37.30 ATOM 1196 HB2 CYS 76 16.853 -38.272 32.592 1.00 73.02 ATOM 1197 SG CYS 76 17.744 -36.632 34.051 1.00 61.51 ATOM 1198 HG CYS 76 17.595 -35.315 34.085 1.00 62.23 ATOM 1199 C CYS 76 14.143 -38.049 32.499 1.00 61.43 ATOM 1200 O CYS 76 13.231 -37.363 32.032 1.00 13.22 ATOM 1201 N LEU 77 14.347 -39.318 32.142 1.00 73.10 ATOM 1202 HN LEU 77 15.087 -39.817 32.554 1.00 37.30 ATOM 1203 CA LEU 77 13.498 -39.989 31.149 1.00 72.04 ATOM 1204 HA LEU 77 13.571 -39.431 30.227 1.00 71.11 ATOM 1205 CB LEU 77 13.996 -41.421 30.900 1.00 32.14 ATOM 1206 HB1 LEU 77 13.329 -41.895 30.193 1.00 37.30 ATOM 1207 HB2 LEU 77 13.944 -41.965 31.835 1.00 34.32 ATOM 1208 CG LEU 77 15.431 -41.532 30.354 1.00 2.24 ATOM 1209 HG LEU 77 16.115 -41.107 31.076 1.00 63.20 ATOM 1210 CD1 LEU 77 15.822 -42.993 30.154 1.00 62.22 ATOM 1211 HD11 LEU 77 16.841 -43.047 29.796 1.00 12.31 ATOM 1212 HD12 LEU 77 15.162 -43.450 29.430 1.00 31.21 ATOM 1213 HD13 LEU 77 15.745 -43.519 31.095 1.00 34.34 ATOM 1214 CD2 LEU 77 15.581 -40.751 29.048 1.00 54.23 ATOM 1215 HD21 LEU 77 15.364 -39.707 29.225 1.00 14.32 ATOM 1216 HD22 LEU 77 14.893 -41.141 28.312 1.00 11.54 ATOM 1217 HD23 LEU 77 16.593 -40.849 28.681 1.00 61.20 ATOM 1218 C LEU 77 12.026 -40.013 31.590 1.00 20.55 ATOM 1219 O LEU 77 11.120 -39.865 30.769 1.00 63.31 ATOM 1220 N SER 78 11.796 -40.191 32.891 1.00 22.43 ATOM 1221 HN SER 78 12.559 -40.315 33.497 1.00 37.30 ATOM 1222 CA SER 78 10.433 -40.199 33.443 1.00 0.22 ATOM 1223 HA SER 78 9.886 -40.995 32.957 1.00 43.43 ATOM 1224 CB SER 78 10.461 -40.467 34.955 1.00 22.11 ATOM 1225 HB1 SER 78 11.004 -39.674 35.449 1.00 37.30 ATOM 1226 HB2 SER 78 10.954 -41.408 35.142 1.00 2.32 ATOM 1227 OG SER 78 9.147 -40.529 35.500 1.00 5.51 ATOM 1228 HG SER 78 8.672 -39.711 35.300 1.00 60.32 ATOM 1229 C SER 78 9.721 -38.870 33.173 1.00 53.24 ATOM 1230 O SER 78 8.635 -38.845 32.593 1.00 22.21 ATOM 1231 N ASN 79 10.352 -37.770 33.587 1.00 31.54 ATOM 1232 HN ASN 79 11.221 -37.863 34.037 1.00 37.30 ATOM 1233 CA ASN 79 9.786 -36.425 33.407 1.00 62.53 ATOM 1234 HA ASN 79 8.896 -36.355 34.017 1.00 30.24 ATOM 1235 CB ASN 79 10.791 -35.361 33.869 1.00 13.50 ATOM 1236 HB1 ASN 79 10.318 -34.391 33.838 1.00 37.30 ATOM 1237 HB2 ASN 79 11.641 -35.364 33.199 1.00 65.54 ATOM 1238 CG ASN 79 11.297 -35.601 35.281 1.00 42.23 ATOM 1239 OD1 ASN 79 10.619 -36.198 36.107 1.00 34.42 ATOM 1240 ND2 ASN 79 12.492 -35.130 35.575 1.00 34.00 ATOM 1241 HD21 ASN 79 12.988 -34.657 34.874 1.00 34.35 ATOM 1242 HD22 ASN 79 12.832 -35.273 36.479 1.00 14.11 ATOM 1243 C ASN 79 9.402 -36.164 31.938 1.00 1.44 ATOM 1244 O ASN 79 8.357 -35.574 31.647 1.00 74.04 ATOM 1245 N ILE 80 10.257 -36.611 31.020 1.00 33.04 ATOM 1246 HN ILE 80 11.076 -37.064 31.316 1.00 37.30 ATOM 1247 CA ILE 80 10.019 -36.438 29.585 1.00 24.54 ATOM 1248 HA ILE 80 9.756 -35.401 29.416 1.00 42.53 ATOM 1249 CB ILE 80 11.296 -36.750 28.763 1.00 45.53 ATOM 1250 HB ILE 80 11.541 -37.793 28.908 1.00 34.53 ATOM 1251 CG1 ILE 80 12.475 -35.886 29.249 1.00 72.53 ATOM 1252 HG11 ILE 80 12.629 -36.061 30.305 1.00 37.30 ATOM 1253 HG12 ILE 80 12.238 -34.844 29.095 1.00 21.31 ATOM 1254 CG2 ILE 80 11.041 -36.528 27.269 1.00 43.24 ATOM 1255 HG21 ILE 80 10.275 -37.209 26.929 1.00 55.21 ATOM 1256 HG22 ILE 80 11.952 -36.708 26.716 1.00 74.31 ATOM 1257 HG23 ILE 80 10.716 -35.509 27.103 1.00 0.53 ATOM 1258 CD1 ILE 80 13.784 -36.170 28.537 1.00 64.23 ATOM 1259 HD11 ILE 80 14.556 -35.533 28.941 1.00 74.11 ATOM 1260 HD12 ILE 80 13.670 -35.973 27.481 1.00 1.55 ATOM 1261 HD13 ILE 80 14.058 -37.205 28.684 1.00 65.45 ATOM 1262 C ILE 80 8.866 -37.330 29.085 1.00 30.24 ATOM 1263 O ILE 80 7.977 -36.867 28.368 1.00 61.52 ATOM 1264 N ARG 81 8.875 -38.609 29.472 1.00 51.33 ATOM 1265 HN ARG 81 9.570 -38.914 30.093 1.00 37.30 ATOM 1266 CA ARG 81 7.862 -39.566 28.998 1.00 2.24 ATOM 1267 HA ARG 81 7.856 -39.509 27.917 1.00 34.25 ATOM 1268 CB ARG 81 8.231 -41.001 29.399 1.00 32.00 ATOM 1269 HB1 ARG 81 7.412 -41.659 29.140 1.00 37.30 ATOM 1270 HB2 ARG 81 8.384 -41.036 30.468 1.00 13.12 ATOM 1271 CG ARG 81 9.496 -41.519 28.715 1.00 42.23 ATOM 1272 HG1 ARG 81 10.341 -40.939 29.058 1.00 37.30 ATOM 1273 HG2 ARG 81 9.391 -41.401 27.646 1.00 61.43 ATOM 1274 CD ARG 81 9.751 -42.990 29.023 1.00 43.22 ATOM 1275 HD1 ARG 81 9.830 -43.113 30.094 1.00 37.30 ATOM 1276 HD2 ARG 81 10.680 -43.287 28.558 1.00 52.24 ATOM 1277 NE ARG 81 8.678 -43.849 28.526 1.00 63.24 ATOM 1278 HE ARG 81 7.887 -43.416 28.150 1.00 21.22 ATOM 1279 CZ ARG 81 8.711 -45.152 28.559 1.00 2.23 ATOM 1280 NH1 ARG 81 9.739 -45.778 29.033 1.00 11.52 ATOM 1281 HH11 ARG 81 10.524 -45.268 29.374 1.00 32.12 ATOM 1282 HH12 ARG 81 9.741 -46.777 29.065 1.00 32.34 ATOM 1283 NH2 ARG 81 7.709 -45.827 28.108 1.00 35.34 ATOM 1284 HH21 ARG 81 6.912 -45.353 27.738 1.00 0.11 ATOM 1285 HH22 ARG 81 7.735 -46.825 28.125 1.00 3.31 ATOM 1286 C ARG 81 6.448 -39.212 29.494 1.00 73.11 ATOM 1287 O ARG 81 5.464 -39.462 28.796 1.00 55.54 ATOM 1288 N GLU 82 6.347 -38.635 30.692 1.00 53.13 ATOM 1289 HN GLU 82 7.148 -38.557 31.257 1.00 37.30 ATOM 1290 CA GLU 82 5.064 -38.120 31.191 1.00 5.52 ATOM 1291 HA GLU 82 4.373 -38.948 31.256 1.00 13.24 ATOM 1292 CB GLU 82 5.246 -37.504 32.585 1.00 52.41 ATOM 1293 HB1 GLU 82 4.323 -37.021 32.876 1.00 37.30 ATOM 1294 HB2 GLU 82 6.027 -36.757 32.535 1.00 34.31 ATOM 1295 CG GLU 82 5.621 -38.511 33.668 1.00 33.22 ATOM 1296 HG1 GLU 82 5.850 -37.973 34.573 1.00 37.30 ATOM 1297 HG2 GLU 82 6.497 -39.054 33.346 1.00 44.50 ATOM 1298 CD GLU 82 4.510 -39.505 33.964 1.00 35.53 ATOM 1299 OE1 GLU 82 4.755 -40.730 33.889 1.00 64.12 ATOM 1300 OE2 GLU 82 3.377 -39.061 34.264 1.00 1.40 ATOM 1301 C GLU 82 4.495 -37.070 30.223 1.00 52.54 ATOM 1302 O GLU 82 3.311 -37.096 29.866 1.00 55.51 ATOM 1303 N PHE 83 5.363 -36.151 29.802 1.00 32.11 ATOM 1304 HN PHE 83 6.267 -36.151 30.182 1.00 37.30 ATOM 1305 CA PHE 83 5.025 -35.144 28.793 1.00 31.42 ATOM 1306 HA PHE 83 4.214 -34.542 29.178 1.00 14.51 ATOM 1307 CB PHE 83 6.251 -34.244 28.553 1.00 42.13 ATOM 1308 HB1 PHE 83 7.108 -34.872 28.343 1.00 37.30 ATOM 1309 HB2 PHE 83 6.448 -33.678 29.452 1.00 64.30 ATOM 1310 CG PHE 83 6.107 -33.262 27.415 1.00 41.05 ATOM 1311 CD1 PHE 83 6.634 -33.547 26.161 1.00 74.13 ATOM 1312 HD1 PHE 83 7.147 -34.484 26.003 1.00 42.40 ATOM 1313 CD2 PHE 83 5.452 -32.053 27.600 1.00 42.11 ATOM 1314 HD2 PHE 83 5.037 -31.817 28.569 1.00 15.31 ATOM 1315 CE1 PHE 83 6.511 -32.648 25.121 1.00 34.32 ATOM 1316 HE1 PHE 83 6.927 -32.881 24.152 1.00 61.04 ATOM 1317 CE2 PHE 83 5.326 -31.151 26.561 1.00 41.33 ATOM 1318 HE2 PHE 83 4.813 -30.213 26.718 1.00 14.43 ATOM 1319 CZ PHE 83 5.856 -31.449 25.321 1.00 30.35 ATOM 1320 HZ PHE 83 5.759 -30.744 24.507 1.00 35.42 ATOM 1321 C PHE 83 4.574 -35.813 27.482 1.00 75.40 ATOM 1322 O PHE 83 3.533 -35.468 26.913 1.00 32.43 ATOM 1323 N LEU 84 5.358 -36.788 27.027 1.00 73.43 ATOM 1324 HN LEU 84 6.166 -37.020 27.536 1.00 37.30 ATOM 1325 CA LEU 84 5.059 -37.527 25.795 1.00 35.31 ATOM 1326 HA LEU 84 5.005 -36.811 24.987 1.00 64.13 ATOM 1327 CB LEU 84 6.190 -38.521 25.503 1.00 42.25 ATOM 1328 HB1 LEU 84 5.946 -39.057 24.596 1.00 37.30 ATOM 1329 HB2 LEU 84 6.235 -39.232 26.319 1.00 40.22 ATOM 1330 CG LEU 84 7.582 -37.890 25.331 1.00 42.32 ATOM 1331 HG LEU 84 7.811 -37.303 26.209 1.00 75.32 ATOM 1332 CD1 LEU 84 8.658 -38.964 25.199 1.00 3.44 ATOM 1333 HD11 LEU 84 8.469 -39.561 24.317 1.00 31.22 ATOM 1334 HD12 LEU 84 8.643 -39.599 26.073 1.00 54.42 ATOM 1335 HD13 LEU 84 9.629 -38.495 25.113 1.00 51.33 ATOM 1336 CD2 LEU 84 7.601 -36.953 24.126 1.00 24.22 ATOM 1337 HD21 LEU 84 7.322 -37.499 23.236 1.00 42.44 ATOM 1338 HD22 LEU 84 8.595 -36.549 24.000 1.00 41.34 ATOM 1339 HD23 LEU 84 6.904 -36.143 24.286 1.00 11.11 ATOM 1340 C LEU 84 3.714 -38.272 25.885 1.00 44.11 ATOM 1341 O LEU 84 2.990 -38.393 24.892 1.00 13.14 ATOM 1342 N ARG 85 3.389 -38.773 27.075 1.00 54.22 ATOM 1343 HN ARG 85 4.013 -38.662 27.825 1.00 37.30 ATOM 1344 CA ARG 85 2.129 -39.493 27.295 1.00 12.22 ATOM 1345 HA ARG 85 2.079 -40.296 26.572 1.00 53.32 ATOM 1346 CB ARG 85 2.094 -40.091 28.711 1.00 4.52 ATOM 1347 HB1 ARG 85 2.029 -39.284 29.428 1.00 37.30 ATOM 1348 HB2 ARG 85 3.014 -40.636 28.887 1.00 63.20 ATOM 1349 CG ARG 85 0.916 -41.038 28.948 1.00 51.14 ATOM 1350 HG1 ARG 85 0.956 -41.837 28.222 1.00 37.30 ATOM 1351 HG2 ARG 85 -0.007 -40.488 28.826 1.00 53.43 ATOM 1352 CD ARG 85 0.949 -41.639 30.347 1.00 35.12 ATOM 1353 HD1 ARG 85 0.138 -42.347 30.440 1.00 37.30 ATOM 1354 HD2 ARG 85 0.816 -40.847 31.070 1.00 24.14 ATOM 1355 NE ARG 85 2.212 -42.331 30.613 1.00 32.50 ATOM 1356 HE ARG 85 2.549 -42.943 29.927 1.00 60.43 ATOM 1357 CZ ARG 85 2.921 -42.167 31.695 1.00 21.15 ATOM 1358 NH1 ARG 85 2.507 -41.398 32.645 1.00 2.52 ATOM 1359 HH11 ARG 85 1.635 -40.924 32.562 1.00 4.31 ATOM 1360 HH12 ARG 85 3.077 -41.261 33.458 1.00 40.41 ATOM 1361 NH2 ARG 85 4.047 -42.788 31.830 1.00 3.12 ATOM 1362 HH21 ARG 85 4.373 -43.393 31.105 1.00 42.15 ATOM 1363 HH22 ARG 85 4.587 -42.652 32.659 1.00 2.43 ATOM 1364 C ARG 85 0.920 -38.567 27.089 1.00 15.42 ATOM 1365 O ARG 85 0.037 -38.851 26.276 1.00 33.12 ATOM 1366 N GLY 86 0.905 -37.448 27.814 1.00 1.23 ATOM 1367 HN GLY 86 1.660 -37.259 28.413 1.00 37.30 ATOM 1368 CA GLY 86 -0.211 -36.506 27.737 1.00 20.43 ATOM 1369 HA1 GLY 86 -0.018 -35.689 28.418 1.00 37.30 ATOM 1370 HA2 GLY 86 -1.113 -37.010 28.054 1.00 33.13 ATOM 1371 C GLY 86 -0.435 -35.932 26.340 1.00 33.24 ATOM 1372 O GLY 86 -1.570 -35.872 25.857 1.00 50.15 ATOM 1373 N CYS 87 0.645 -35.510 25.685 1.00 75.24 ATOM 1374 HN CYS 87 1.522 -35.566 26.126 1.00 37.30 ATOM 1375 CA CYS 87 0.560 -34.951 24.328 1.00 2.14 ATOM 1376 HA CYS 87 -0.112 -34.105 24.366 1.00 12.02 ATOM 1377 CB CYS 87 1.939 -34.463 23.867 1.00 61.24 ATOM 1378 HB1 CYS 87 1.864 -34.091 22.854 1.00 37.30 ATOM 1379 HB2 CYS 87 2.634 -35.288 23.890 1.00 11.50 ATOM 1380 SG CYS 87 2.633 -33.139 24.885 1.00 70.12 ATOM 1381 HG CYS 87 3.848 -32.868 24.430 1.00 24.25 ATOM 1382 C CYS 87 0.000 -35.973 23.321 1.00 72.32 ATOM 1383 O CYS 87 -0.825 -35.633 22.468 1.00 43.01 ATOM 1384 N GLY 88 0.445 -37.225 23.426 1.00 55.22 ATOM 1385 HN GLY 88 1.107 -37.441 24.117 1.00 37.30 ATOM 1386 CA GLY 88 -0.036 -38.274 22.530 1.00 2.11 ATOM 1387 HA1 GLY 88 0.616 -39.130 22.623 1.00 37.30 ATOM 1388 HA2 GLY 88 0.014 -37.913 21.512 1.00 23.42 ATOM 1389 C GLY 88 -1.471 -38.719 22.822 1.00 71.20 ATOM 1390 O GLY 88 -2.223 -39.063 21.906 1.00 43.30 ATOM 1391 N ALA 89 -1.854 -38.710 24.097 1.00 21.34 ATOM 1392 HN ALA 89 -1.212 -38.425 24.784 1.00 37.30 ATOM 1393 CA ALA 89 -3.197 -39.135 24.510 1.00 21.34 ATOM 1394 HA ALA 89 -3.458 -40.015 23.937 1.00 30.55 ATOM 1395 CB ALA 89 -3.184 -39.527 25.986 1.00 11.41 ATOM 1396 HB1 ALA 89 -2.959 -38.659 26.588 1.00 41.03 ATOM 1397 HB2 ALA 89 -2.430 -40.283 26.152 1.00 5.14 ATOM 1398 HB3 ALA 89 -4.151 -39.918 26.266 1.00 21.00 ATOM 1399 C ALA 89 -4.257 -38.048 24.256 1.00 21.43 ATOM 1400 O ALA 89 -5.288 -38.302 23.630 1.00 33.13 ATOM 1401 N SER 90 -3.995 -36.836 24.738 1.00 2.01 ATOM 1402 HN SER 90 -3.129 -36.678 25.173 1.00 37.30 ATOM 1403 CA SER 90 -4.963 -35.728 24.645 1.00 11.35 ATOM 1404 HA SER 90 -5.951 -36.142 24.795 1.00 60.31 ATOM 1405 CB SER 90 -4.696 -34.695 25.747 1.00 11.24 ATOM 1406 HB1 SER 90 -3.674 -34.350 25.673 1.00 37.30 ATOM 1407 HB2 SER 90 -4.850 -35.154 26.713 1.00 52.14 ATOM 1408 OG SER 90 -5.564 -33.578 25.631 1.00 64.01 ATOM 1409 HG SER 90 -6.069 -33.480 26.446 1.00 30.43 ATOM 1410 C SER 90 -4.928 -35.036 23.275 1.00 51.52 ATOM 1411 O SER 90 -5.925 -35.018 22.550 1.00 35.40 ATOM 1412 N LEU 91 -3.777 -34.468 22.924 1.00 31.15 ATOM 1413 HN LEU 91 -3.002 -34.560 23.517 1.00 37.30 ATOM 1414 CA LEU 91 -3.634 -33.699 21.678 1.00 13.24 ATOM 1415 HA LEU 91 -4.555 -33.150 21.528 1.00 2.24 ATOM 1416 CB LEU 91 -2.490 -32.690 21.825 1.00 62.23 ATOM 1417 HB1 LEU 91 -2.169 -32.390 20.837 1.00 37.30 ATOM 1418 HB2 LEU 91 -1.663 -33.184 22.318 1.00 3.13 ATOM 1419 CG LEU 91 -2.849 -31.422 22.619 1.00 12.41 ATOM 1420 HG LEU 91 -3.403 -31.700 23.504 1.00 55.32 ATOM 1421 CD1 LEU 91 -1.593 -30.685 23.065 1.00 12.53 ATOM 1422 HD11 LEU 91 -1.008 -30.407 22.201 1.00 40.13 ATOM 1423 HD12 LEU 91 -1.006 -31.328 23.705 1.00 23.12 ATOM 1424 HD13 LEU 91 -1.871 -29.795 23.612 1.00 44.31 ATOM 1425 CD2 LEU 91 -3.736 -30.508 21.772 1.00 24.43 ATOM 1426 HD21 LEU 91 -3.964 -29.608 22.326 1.00 21.30 ATOM 1427 HD22 LEU 91 -4.654 -31.022 21.528 1.00 61.44 ATOM 1428 HD23 LEU 91 -3.216 -30.248 20.857 1.00 11.21 ATOM 1429 C LEU 91 -3.402 -34.592 20.449 1.00 54.13 ATOM 1430 O LEU 91 -3.458 -34.117 19.312 1.00 23.15 ATOM 1431 N ARG 92 -3.113 -35.874 20.680 1.00 12.14 ATOM 1432 HN ARG 92 -2.996 -36.172 21.605 1.00 37.30 ATOM 1433 CA ARG 92 -2.958 -36.851 19.590 1.00 4.05 ATOM 1434 HA ARG 92 -2.707 -37.801 20.040 1.00 55.23 ATOM 1435 CB ARG 92 -4.287 -37.004 18.828 1.00 74.52 ATOM 1436 HB1 ARG 92 -4.129 -37.651 17.977 1.00 37.30 ATOM 1437 HB2 ARG 92 -4.599 -36.031 18.473 1.00 14.12 ATOM 1438 CG ARG 92 -5.416 -37.589 19.670 1.00 33.01 ATOM 1439 HG1 ARG 92 -6.314 -37.628 19.069 1.00 37.30 ATOM 1440 HG2 ARG 92 -5.584 -36.952 20.528 1.00 31.25 ATOM 1441 CD ARG 92 -5.080 -38.996 20.154 1.00 13.12 ATOM 1442 HD1 ARG 92 -5.935 -39.398 20.679 1.00 37.30 ATOM 1443 HD2 ARG 92 -4.238 -38.942 20.830 1.00 54.40 ATOM 1444 NE ARG 92 -4.747 -39.884 19.040 1.00 63.43 ATOM 1445 HE ARG 92 -5.254 -39.778 18.209 1.00 24.31 ATOM 1446 CZ ARG 92 -3.823 -40.806 19.082 1.00 4.00 ATOM 1447 NH1 ARG 92 -3.087 -40.961 20.136 1.00 55.51 ATOM 1448 HH11 ARG 92 -3.216 -40.371 20.931 1.00 32.11 ATOM 1449 HH12 ARG 92 -2.388 -41.673 20.149 1.00 62.21 ATOM 1450 NH2 ARG 92 -3.611 -41.551 18.048 1.00 54.44 ATOM 1451 HH21 ARG 92 -4.149 -41.417 17.216 1.00 22.31 ATOM 1452 HH22 ARG 92 -2.907 -42.258 18.084 1.00 44.42 ATOM 1453 C ARG 92 -1.833 -36.466 18.613 1.00 1.31 ATOM 1454 O ARG 92 -1.787 -36.951 17.479 1.00 75.32 ATOM 1455 N LEU 93 -0.916 -35.610 19.057 1.00 63.11 ATOM 1456 HN LEU 93 -0.972 -35.290 19.980 1.00 37.30 ATOM 1457 CA LEU 93 0.182 -35.148 18.202 1.00 53.12 ATOM 1458 HA LEU 93 -0.195 -35.114 17.188 1.00 42.31 ATOM 1459 CB LEU 93 0.612 -33.721 18.605 1.00 22.05 ATOM 1460 HB1 LEU 93 -0.230 -33.063 18.432 1.00 37.30 ATOM 1461 HB2 LEU 93 1.414 -33.416 17.947 1.00 64.35 ATOM 1462 CG LEU 93 1.082 -33.523 20.065 1.00 3.32 ATOM 1463 HG LEU 93 0.473 -34.138 20.712 1.00 33.15 ATOM 1464 CD1 LEU 93 2.538 -33.951 20.256 1.00 4.11 ATOM 1465 HD11 LEU 93 2.634 -35.008 20.050 1.00 2.51 ATOM 1466 HD12 LEU 93 2.842 -33.756 21.274 1.00 53.40 ATOM 1467 HD13 LEU 93 3.170 -33.394 19.580 1.00 75.04 ATOM 1468 CD2 LEU 93 0.892 -32.069 20.496 1.00 74.40 ATOM 1469 HD21 LEU 93 -0.152 -31.803 20.411 1.00 52.20 ATOM 1470 HD22 LEU 93 1.480 -31.421 19.862 1.00 61.21 ATOM 1471 HD23 LEU 93 1.210 -31.952 21.522 1.00 35.24 ATOM 1472 C LEU 93 1.367 -36.123 18.234 1.00 2.34 ATOM 1473 O LEU 93 1.449 -36.990 19.106 1.00 42.13 ATOM 1474 N GLU 94 2.281 -35.977 17.280 1.00 23.31 ATOM 1475 HN GLU 94 2.179 -35.253 16.629 1.00 37.30 ATOM 1476 CA GLU 94 3.437 -36.870 17.176 1.00 62.15 ATOM 1477 HA GLU 94 3.078 -37.884 17.294 1.00 1.12 ATOM 1478 CB GLU 94 4.087 -36.741 15.794 1.00 2.41 ATOM 1479 HB1 GLU 94 4.940 -37.402 15.744 1.00 37.30 ATOM 1480 HB2 GLU 94 4.424 -35.721 15.658 1.00 5.33 ATOM 1481 CG GLU 94 3.141 -37.094 14.651 1.00 54.43 ATOM 1482 HG1 GLU 94 2.343 -36.363 14.624 1.00 37.30 ATOM 1483 HG2 GLU 94 2.722 -38.072 14.837 1.00 52.44 ATOM 1484 CD GLU 94 3.830 -37.114 13.300 1.00 11.41 ATOM 1485 OE1 GLU 94 3.794 -36.086 12.589 1.00 12.32 ATOM 1486 OE2 GLU 94 4.410 -38.161 12.942 1.00 42.21 ATOM 1487 C GLU 94 4.463 -36.588 18.281 1.00 1.40 ATOM 1488 O GLU 94 4.963 -35.468 18.420 1.00 15.41 ATOM 1489 N THR 95 4.765 -37.612 19.067 1.00 63.32 ATOM 1490 HN THR 95 4.368 -38.487 18.878 1.00 37.30 ATOM 1491 CA THR 95 5.676 -37.483 20.206 1.00 64.24 ATOM 1492 HA THR 95 5.695 -36.443 20.505 1.00 53.15 ATOM 1493 CB THR 95 5.181 -38.320 21.407 1.00 53.33 ATOM 1494 HB THR 95 5.885 -38.207 22.222 1.00 42.33 ATOM 1495 OG1 THR 95 5.105 -39.708 21.045 1.00 14.11 ATOM 1496 HG1 THR 95 5.028 -40.244 21.842 1.00 34.02 ATOM 1497 CG2 THR 95 3.811 -37.840 21.879 1.00 34.51 ATOM 1498 HG21 THR 95 3.104 -37.904 21.065 1.00 42.34 ATOM 1499 HG22 THR 95 3.883 -36.813 22.215 1.00 41.51 ATOM 1500 HG23 THR 95 3.473 -38.461 22.696 1.00 62.22 ATOM 1501 C THR 95 7.099 -37.925 19.855 1.00 12.22 ATOM 1502 O THR 95 7.305 -38.901 19.128 1.00 60.34 ATOM 1503 N PHE 96 8.083 -37.199 20.376 1.00 32.23 ATOM 1504 HN PHE 96 7.862 -36.406 20.906 1.00 37.30 ATOM 1505 CA PHE 96 9.489 -37.558 20.181 1.00 20.32 ATOM 1506 HA PHE 96 9.590 -37.974 19.187 1.00 2.40 ATOM 1507 CB PHE 96 10.381 -36.313 20.291 1.00 61.03 ATOM 1508 HB1 PHE 96 10.080 -35.600 19.535 1.00 37.30 ATOM 1509 HB2 PHE 96 11.407 -36.599 20.110 1.00 54.51 ATOM 1510 CG PHE 96 10.320 -35.620 21.634 1.00 54.51 ATOM 1511 CD1 PHE 96 9.384 -34.625 21.877 1.00 1.05 ATOM 1512 HD1 PHE 96 8.687 -34.352 21.098 1.00 71.40 ATOM 1513 CD2 PHE 96 11.205 -35.960 22.649 1.00 51.31 ATOM 1514 HD2 PHE 96 11.939 -36.734 22.474 1.00 44.25 ATOM 1515 CE1 PHE 96 9.333 -33.984 23.102 1.00 12.33 ATOM 1516 HE1 PHE 96 8.600 -33.209 23.276 1.00 33.53 ATOM 1517 CE2 PHE 96 11.156 -35.323 23.874 1.00 60.43 ATOM 1518 HE2 PHE 96 11.850 -35.600 24.654 1.00 10.51 ATOM 1519 CZ PHE 96 10.219 -34.334 24.101 1.00 64.43 ATOM 1520 HZ PHE 96 10.180 -33.835 25.058 1.00 73.55 ATOM 1521 C PHE 96 9.924 -38.621 21.200 1.00 31.35 ATOM 1522 O PHE 96 9.137 -39.047 22.048 1.00 2.00 ATOM 1523 N ASP 97 11.175 -39.049 21.113 1.00 42.43 ATOM 1524 HN ASP 97 11.754 -38.700 20.406 1.00 37.30 ATOM 1525 CA ASP 97 11.708 -40.043 22.039 1.00 23.30 ATOM 1526 HA ASP 97 10.873 -40.522 22.534 1.00 11.23 ATOM 1527 CB ASP 97 12.495 -41.100 21.263 1.00 60.13 ATOM 1528 HB1 ASP 97 12.727 -41.926 21.921 1.00 37.30 ATOM 1529 HB2 ASP 97 13.417 -40.664 20.903 1.00 10.10 ATOM 1530 CG ASP 97 11.710 -41.630 20.073 1.00 35.32 ATOM 1531 OD1 ASP 97 11.063 -42.690 20.199 1.00 15.42 ATOM 1532 OD2 ASP 97 11.726 -40.979 19.004 1.00 73.21 ATOM 1533 C ASP 97 12.594 -39.376 23.102 1.00 12.11 ATOM 1534 O ASP 97 13.473 -38.572 22.778 1.00 24.00 ATOM 1535 N ALA 98 12.354 -39.712 24.370 1.00 40.13 ATOM 1536 HN ALA 98 11.653 -40.373 24.560 1.00 37.30 ATOM 1537 CA ALA 98 13.100 -39.130 25.495 1.00 1.43 ATOM 1538 HA ALA 98 12.825 -38.087 25.573 1.00 41.41 ATOM 1539 CB ALA 98 12.699 -39.823 26.794 1.00 21.43 ATOM 1540 HB1 ALA 98 13.190 -39.343 27.628 1.00 61.24 ATOM 1541 HB2 ALA 98 12.993 -40.863 26.754 1.00 53.02 ATOM 1542 HB3 ALA 98 11.628 -39.758 26.923 1.00 50.22 ATOM 1543 C ALA 98 14.621 -39.234 25.297 1.00 20.33 ATOM 1544 O ALA 98 15.377 -38.328 25.659 1.00 21.44 ATOM 1545 N ASN 99 15.055 -40.346 24.713 1.00 23.44 ATOM 1546 HN ASN 99 14.398 -41.018 24.431 1.00 37.30 ATOM 1547 CA ASN 99 16.479 -40.614 24.492 1.00 12.53 ATOM 1548 HA ASN 99 16.973 -40.549 25.452 1.00 31.33 ATOM 1549 CB ASN 99 16.665 -42.034 23.943 1.00 74.54 ATOM 1550 HB1 ASN 99 17.722 -42.231 23.819 1.00 37.30 ATOM 1551 HB2 ASN 99 16.174 -42.112 22.984 1.00 65.53 ATOM 1552 CG ASN 99 16.080 -43.089 24.867 1.00 24.01 ATOM 1553 OD1 ASN 99 15.084 -42.859 25.546 1.00 34.31 ATOM 1554 ND2 ASN 99 16.699 -44.248 24.911 1.00 1.15 ATOM 1555 HD21 ASN 99 17.493 -44.371 24.354 1.00 1.53 ATOM 1556 HD22 ASN 99 16.340 -44.939 25.507 1.00 70.32 ATOM 1557 C ASN 99 17.126 -39.586 23.548 1.00 44.31 ATOM 1558 O ASN 99 18.261 -39.164 23.768 1.00 55.30 ATOM 1559 N ASP 100 16.404 -39.177 22.507 1.00 60.44 ATOM 1560 HN ASP 100 15.504 -39.547 22.373 1.00 37.30 ATOM 1561 CA ASP 100 16.920 -38.184 21.557 1.00 63.11 ATOM 1562 HA ASP 100 17.841 -38.574 21.147 1.00 61.33 ATOM 1563 CB ASP 100 15.932 -37.976 20.412 1.00 50.33 ATOM 1564 HB1 ASP 100 16.230 -37.112 19.832 1.00 37.30 ATOM 1565 HB2 ASP 100 14.943 -37.809 20.818 1.00 52.23 ATOM 1566 CG ASP 100 15.883 -39.179 19.494 1.00 51.11 ATOM 1567 OD1 ASP 100 16.785 -39.313 18.650 1.00 42.14 ATOM 1568 OD2 ASP 100 14.949 -39.991 19.613 1.00 43.12 ATOM 1569 C ASP 100 17.226 -36.846 22.243 1.00 2.41 ATOM 1570 O ASP 100 18.282 -36.252 22.024 1.00 51.12 ATOM 1571 N LEU 101 16.304 -36.387 23.078 1.00 21.34 ATOM 1572 HN LEU 101 15.480 -36.905 23.209 1.00 37.30 ATOM 1573 CA LEU 101 16.482 -35.132 23.810 1.00 43.34 ATOM 1574 HA LEU 101 16.763 -34.369 23.097 1.00 54.54 ATOM 1575 CB LEU 101 15.159 -34.728 24.474 1.00 73.51 ATOM 1576 HB1 LEU 101 14.854 -35.531 25.133 1.00 37.30 ATOM 1577 HB2 LEU 101 14.410 -34.622 23.700 1.00 75.21 ATOM 1578 CG LEU 101 15.198 -33.426 25.292 1.00 2.43 ATOM 1579 HG LEU 101 15.946 -33.523 26.067 1.00 72.33 ATOM 1580 CD1 LEU 101 15.589 -32.237 24.417 1.00 31.54 ATOM 1581 HD11 LEU 101 14.874 -32.123 23.613 1.00 11.41 ATOM 1582 HD12 LEU 101 16.571 -32.403 24.001 1.00 61.13 ATOM 1583 HD13 LEU 101 15.601 -31.337 25.015 1.00 65.32 ATOM 1584 CD2 LEU 101 13.853 -33.182 25.970 1.00 73.43 ATOM 1585 HD21 LEU 101 13.899 -32.267 26.540 1.00 65.35 ATOM 1586 HD22 LEU 101 13.628 -34.005 26.632 1.00 3.44 ATOM 1587 HD23 LEU 101 13.079 -33.102 25.221 1.00 11.12 ATOM 1588 C LEU 101 17.591 -35.255 24.868 1.00 22.20 ATOM 1589 O LEU 101 18.517 -34.445 24.913 1.00 4.23 ATOM 1590 N TYR 102 17.500 -36.288 25.701 1.00 34.20 ATOM 1591 HN TYR 102 16.782 -36.944 25.567 1.00 37.30 ATOM 1592 CA TYR 102 18.429 -36.470 26.823 1.00 45.22 ATOM 1593 HA TYR 102 18.454 -35.539 27.373 1.00 35.43 ATOM 1594 CB TYR 102 17.908 -37.572 27.756 1.00 15.41 ATOM 1595 HB1 TYR 102 17.935 -38.518 27.234 1.00 37.30 ATOM 1596 HB2 TYR 102 16.886 -37.351 28.030 1.00 22.34 ATOM 1597 CG TYR 102 18.711 -37.717 29.036 1.00 52.22 ATOM 1598 CD1 TYR 102 18.843 -36.649 29.917 1.00 43.44 ATOM 1599 HD1 TYR 102 18.363 -35.711 29.681 1.00 50.53 ATOM 1600 CD2 TYR 102 19.335 -38.915 29.362 1.00 50.34 ATOM 1601 HD2 TYR 102 19.246 -39.756 28.690 1.00 44.35 ATOM 1602 CE1 TYR 102 19.571 -36.770 31.083 1.00 41.15 ATOM 1603 HE1 TYR 102 19.662 -35.927 31.753 1.00 3.31 ATOM 1604 CE2 TYR 102 20.064 -39.044 30.528 1.00 30.43 ATOM 1605 HE2 TYR 102 20.539 -39.986 30.766 1.00 21.24 ATOM 1606 CZ TYR 102 20.179 -37.968 31.384 1.00 41.31 ATOM 1607 OH TYR 102 20.910 -38.095 32.545 1.00 53.21 ATOM 1608 HH TYR 102 20.423 -37.702 33.279 1.00 54.24 ATOM 1609 C TYR 102 19.861 -36.800 26.359 1.00 1.42 ATOM 1610 O TYR 102 20.835 -36.398 26.995 1.00 54.53 ATOM 1611 N GLN 103 19.987 -37.539 25.256 1.00 62.53 ATOM 1612 HN GLN 103 19.178 -37.832 24.785 1.00 37.30 ATOM 1613 CA GLN 103 21.305 -37.932 24.729 1.00 32.14 ATOM 1614 HA GLN 103 22.027 -37.825 25.528 1.00 61.30 ATOM 1615 CB GLN 103 21.280 -39.404 24.280 1.00 1.54 ATOM 1616 HB1 GLN 103 22.254 -39.664 23.887 1.00 37.30 ATOM 1617 HB2 GLN 103 20.549 -39.511 23.491 1.00 21.42 ATOM 1618 CG GLN 103 20.932 -40.401 25.387 1.00 21.32 ATOM 1619 HG1 GLN 103 20.874 -41.390 24.955 1.00 37.30 ATOM 1620 HG2 GLN 103 19.968 -40.138 25.801 1.00 54.11 ATOM 1621 CD GLN 103 21.953 -40.424 26.515 1.00 60.20 ATOM 1622 OE1 GLN 103 23.130 -40.156 26.311 1.00 63.24 ATOM 1623 NE2 GLN 103 21.516 -40.757 27.714 1.00 22.30 ATOM 1624 HE21 GLN 103 20.569 -40.970 27.823 1.00 4.30 ATOM 1625 HE22 GLN 103 22.165 -40.784 28.446 1.00 33.31 ATOM 1626 C GLN 103 21.743 -37.039 23.553 1.00 30.02 ATOM 1627 O GLN 103 22.778 -37.286 22.929 1.00 11.35 ATOM 1628 N GLY 104 20.949 -36.012 23.246 1.00 22.25 ATOM 1629 HN GLY 104 20.129 -35.870 23.766 1.00 37.30 ATOM 1630 CA GLY 104 21.283 -35.092 22.158 1.00 50.13 ATOM 1631 HA1 GLY 104 22.220 -34.606 22.393 1.00 37.30 ATOM 1632 HA2 GLY 104 20.513 -34.338 22.096 1.00 52.22 ATOM 1633 C GLY 104 21.412 -35.773 20.792 1.00 65.34 ATOM 1634 O GLY 104 22.252 -35.388 19.974 1.00 21.04 ATOM 1635 N GLN 105 20.576 -36.782 20.542 1.00 2.25 ATOM 1636 HN GLN 105 19.905 -37.016 21.216 1.00 37.30 ATOM 1637 CA GLN 105 20.628 -37.543 19.284 1.00 41.52 ATOM 1638 HA GLN 105 21.669 -37.661 19.019 1.00 43.11 ATOM 1639 CB GLN 105 20.014 -38.940 19.480 1.00 20.41 ATOM 1640 HB1 GLN 105 20.021 -39.460 18.531 1.00 37.30 ATOM 1641 HB2 GLN 105 18.992 -38.828 19.808 1.00 75.11 ATOM 1642 CG GLN 105 20.752 -39.800 20.499 1.00 20.32 ATOM 1643 HG1 GLN 105 20.193 -40.712 20.656 1.00 37.30 ATOM 1644 HG2 GLN 105 20.820 -39.256 21.432 1.00 55.15 ATOM 1645 CD GLN 105 22.154 -40.163 20.045 1.00 0.14 ATOM 1646 OE1 GLN 105 22.363 -41.183 19.399 1.00 31.21 ATOM 1647 NE2 GLN 105 23.121 -39.329 20.363 1.00 1.33 ATOM 1648 HE21 GLN 105 22.895 -38.528 20.876 1.00 32.10 ATOM 1649 HE22 GLN 105 24.030 -39.547 20.069 1.00 12.42 ATOM 1650 C GLN 105 19.924 -36.798 18.137 1.00 35.35 ATOM 1651 O GLN 105 20.572 -36.098 17.359 1.00 63.24 ATOM 1652 N ASN 106 18.602 -36.943 18.036 1.00 61.52 ATOM 1653 HN ASN 106 18.137 -37.546 18.656 1.00 37.30 ATOM 1654 CA ASN 106 17.819 -36.242 17.011 1.00 54.53 ATOM 1655 HA ASN 106 18.509 -35.738 16.347 1.00 63.20 ATOM 1656 CB ASN 106 16.994 -37.245 16.198 1.00 12.43 ATOM 1657 HB1 ASN 106 16.406 -36.713 15.463 1.00 37.30 ATOM 1658 HB2 ASN 106 16.331 -37.775 16.871 1.00 10.02 ATOM 1659 CG ASN 106 17.857 -38.266 15.480 1.00 71.15 ATOM 1660 OD1 ASN 106 18.318 -38.038 14.366 1.00 34.43 ATOM 1661 ND2 ASN 106 18.078 -39.402 16.106 1.00 5.11 ATOM 1662 HD21 ASN 106 17.681 -39.528 16.994 1.00 55.32 ATOM 1663 HD22 ASN 106 18.627 -40.075 15.657 1.00 3.23 ATOM 1664 C ASN 106 16.893 -35.192 17.645 1.00 24.35 ATOM 1665 O ASN 106 15.721 -35.463 17.918 1.00 31.23 ATOM 1666 N PHE 107 17.428 -33.997 17.894 1.00 25.44 ATOM 1667 HN PHE 107 18.372 -33.840 17.672 1.00 37.30 ATOM 1668 CA PHE 107 16.651 -32.914 18.508 1.00 35.51 ATOM 1669 HA PHE 107 16.186 -33.314 19.397 1.00 72.25 ATOM 1670 CB PHE 107 17.573 -31.756 18.916 1.00 54.40 ATOM 1671 HB1 PHE 107 18.080 -31.383 18.036 1.00 37.30 ATOM 1672 HB2 PHE 107 18.309 -32.123 19.618 1.00 44.32 ATOM 1673 CG PHE 107 16.844 -30.602 19.564 1.00 63.10 ATOM 1674 CD1 PHE 107 16.364 -30.708 20.864 1.00 23.10 ATOM 1675 HD1 PHE 107 16.518 -31.625 21.414 1.00 50.30 ATOM 1676 CD2 PHE 107 16.634 -29.413 18.874 1.00 12.32 ATOM 1677 HD2 PHE 107 17.003 -29.314 17.864 1.00 54.13 ATOM 1678 CE1 PHE 107 15.691 -29.655 21.457 1.00 25.14 ATOM 1679 HE1 PHE 107 15.322 -29.752 22.469 1.00 70.21 ATOM 1680 CE2 PHE 107 15.962 -28.361 19.467 1.00 54.20 ATOM 1681 HE2 PHE 107 15.805 -27.443 18.918 1.00 71.12 ATOM 1682 CZ PHE 107 15.490 -28.482 20.757 1.00 53.33 ATOM 1683 HZ PHE 107 14.965 -27.660 21.221 1.00 52.12 ATOM 1684 C PHE 107 15.543 -32.404 17.569 1.00 75.23 ATOM 1685 O PHE 107 14.500 -31.943 18.027 1.00 35.42 ATOM 1686 N ASN 108 15.780 -32.487 16.262 1.00 51.23 ATOM 1687 HN ASN 108 16.653 -32.817 15.961 1.00 37.30 ATOM 1688 CA ASN 108 14.790 -32.073 15.254 1.00 73.15 ATOM 1689 HA ASN 108 14.721 -30.995 15.299 1.00 3.44 ATOM 1690 CB ASN 108 15.267 -32.468 13.851 1.00 33.54 ATOM 1691 HB1 ASN 108 16.035 -31.777 13.533 1.00 37.30 ATOM 1692 HB2 ASN 108 14.435 -32.413 13.162 1.00 45.33 ATOM 1693 CG ASN 108 15.836 -33.875 13.807 1.00 5.13 ATOM 1694 OD1 ASN 108 15.112 -34.851 13.659 1.00 62.14 ATOM 1695 ND2 ASN 108 17.145 -33.990 13.927 1.00 63.51 ATOM 1696 HD21 ASN 108 17.678 -33.173 14.039 1.00 71.30 ATOM 1697 HD22 ASN 108 17.534 -34.891 13.892 1.00 42.34 ATOM 1698 C ASN 108 13.387 -32.654 15.528 1.00 22.55 ATOM 1699 O ASN 108 12.384 -31.947 15.410 1.00 20.53 ATOM 1700 N LYS 109 13.318 -33.937 15.895 1.00 62.32 ATOM 1701 HN LYS 109 14.137 -34.475 15.907 1.00 37.30 ATOM 1702 CA LYS 109 12.039 -34.564 16.263 1.00 40.54 ATOM 1703 HA LYS 109 11.371 -34.468 15.418 1.00 5.04 ATOM 1704 CB LYS 109 12.233 -36.055 16.579 1.00 31.43 ATOM 1705 HB1 LYS 109 11.276 -36.478 16.854 1.00 37.30 ATOM 1706 HB2 LYS 109 12.908 -36.147 17.419 1.00 62.55 ATOM 1707 CG LYS 109 12.801 -36.876 15.421 1.00 51.23 ATOM 1708 HG1 LYS 109 13.826 -36.574 15.247 1.00 37.30 ATOM 1709 HG2 LYS 109 12.213 -36.686 14.534 1.00 30.23 ATOM 1710 CD LYS 109 12.771 -38.376 15.720 1.00 5.43 ATOM 1711 HD1 LYS 109 13.182 -38.909 14.873 1.00 37.30 ATOM 1712 HD2 LYS 109 11.746 -38.682 15.873 1.00 23.13 ATOM 1713 CE LYS 109 13.577 -38.729 16.964 1.00 51.13 ATOM 1714 HE1 LYS 109 13.159 -38.204 17.811 1.00 37.30 ATOM 1715 HE2 LYS 109 14.600 -38.412 16.819 1.00 3.31 ATOM 1716 NZ LYS 109 13.566 -40.189 17.249 1.00 51.04 ATOM 1717 HZ1 LYS 109 12.588 -40.527 17.373 1.00 30.12 ATOM 1718 HZ2 LYS 109 14.094 -40.384 18.124 1.00 32.11 ATOM 1719 HZ3 LYS 109 14.006 -40.713 16.469 1.00 61.01 ATOM 1720 C LYS 109 11.407 -33.857 17.476 1.00 54.30 ATOM 1721 O LYS 109 10.194 -33.637 17.528 1.00 65.03 ATOM 1722 N VAL 110 12.249 -33.500 18.445 1.00 4.22 ATOM 1723 HN VAL 110 13.201 -33.708 18.343 1.00 37.30 ATOM 1724 CA VAL 110 11.806 -32.791 19.649 1.00 70.02 ATOM 1725 HA VAL 110 11.020 -33.375 20.114 1.00 35.13 ATOM 1726 CB VAL 110 12.966 -32.631 20.667 1.00 2.20 ATOM 1727 HB VAL 110 13.702 -31.966 20.230 1.00 22.52 ATOM 1728 CG1 VAL 110 12.474 -31.996 21.967 1.00 63.13 ATOM 1729 HG11 VAL 110 13.298 -31.911 22.662 1.00 11.31 ATOM 1730 HG12 VAL 110 11.699 -32.613 22.401 1.00 50.43 ATOM 1731 HG13 VAL 110 12.076 -31.012 21.760 1.00 0.15 ATOM 1732 CG2 VAL 110 13.649 -33.973 20.935 1.00 52.22 ATOM 1733 HG21 VAL 110 12.937 -34.661 21.367 1.00 51.41 ATOM 1734 HG22 VAL 110 14.471 -33.830 21.622 1.00 51.33 ATOM 1735 HG23 VAL 110 14.026 -34.380 20.007 1.00 30.10 ATOM 1736 C VAL 110 11.256 -31.400 19.298 1.00 31.33 ATOM 1737 O VAL 110 10.123 -31.061 19.642 1.00 60.03 ATOM 1738 N LEU 111 12.070 -30.610 18.597 1.00 44.30 ATOM 1739 HN LEU 111 12.956 -30.950 18.348 1.00 37.30 ATOM 1740 CA LEU 111 11.693 -29.252 18.193 1.00 1.10 ATOM 1741 HA LEU 111 11.550 -28.670 19.093 1.00 0.50 ATOM 1742 CB LEU 111 12.822 -28.618 17.367 1.00 31.14 ATOM 1743 HB1 LEU 111 12.900 -29.156 16.432 1.00 37.30 ATOM 1744 HB2 LEU 111 13.750 -28.743 17.909 1.00 70.23 ATOM 1745 CG LEU 111 12.650 -27.121 17.046 1.00 42.41 ATOM 1746 HG LEU 111 11.693 -26.972 16.568 1.00 53.25 ATOM 1747 CD1 LEU 111 12.660 -26.285 18.323 1.00 31.23 ATOM 1748 HD11 LEU 111 13.599 -26.423 18.841 1.00 13.24 ATOM 1749 HD12 LEU 111 11.847 -26.594 18.966 1.00 5.32 ATOM 1750 HD13 LEU 111 12.540 -25.241 18.071 1.00 54.11 ATOM 1751 CD2 LEU 111 13.735 -26.648 16.080 1.00 25.31 ATOM 1752 HD21 LEU 111 13.599 -25.597 15.871 1.00 32.24 ATOM 1753 HD22 LEU 111 13.664 -27.207 15.159 1.00 22.32 ATOM 1754 HD23 LEU 111 14.710 -26.803 16.521 1.00 30.01 ATOM 1755 C LEU 111 10.382 -29.249 17.386 1.00 25.44 ATOM 1756 O LEU 111 9.490 -28.443 17.642 1.00 1.42 ATOM 1757 N SER 112 10.267 -30.162 16.420 1.00 1.31 ATOM 1758 HN SER 112 11.020 -30.769 16.247 1.00 37.30 ATOM 1759 CA SER 112 9.046 -30.278 15.603 1.00 54.24 ATOM 1760 HA SER 112 8.877 -29.322 15.127 1.00 72.40 ATOM 1761 CB SER 112 9.213 -31.349 14.516 1.00 41.22 ATOM 1762 HB1 SER 112 9.435 -32.299 14.979 1.00 37.30 ATOM 1763 HB2 SER 112 10.027 -31.072 13.860 1.00 61.33 ATOM 1764 OG SER 112 8.028 -31.482 13.740 1.00 13.35 ATOM 1765 HG SER 112 8.010 -32.357 13.332 1.00 55.31 ATOM 1766 C SER 112 7.823 -30.612 16.467 1.00 54.05 ATOM 1767 O SER 112 6.726 -30.099 16.233 1.00 61.24 ATOM 1768 N SER 113 8.015 -31.471 17.467 1.00 33.20 ATOM 1769 HN SER 113 8.901 -31.877 17.585 1.00 37.30 ATOM 1770 CA SER 113 6.933 -31.830 18.394 1.00 52.25 ATOM 1771 HA SER 113 6.083 -32.140 17.802 1.00 13.14 ATOM 1772 CB SER 113 7.360 -32.997 19.297 1.00 73.44 ATOM 1773 HB1 SER 113 8.164 -32.675 19.945 1.00 37.30 ATOM 1774 HB2 SER 113 7.705 -33.816 18.682 1.00 31.23 ATOM 1775 OG SER 113 6.283 -33.459 20.101 1.00 31.53 ATOM 1776 HG SER 113 5.750 -34.081 19.592 1.00 11.20 ATOM 1777 C SER 113 6.521 -30.619 19.247 1.00 1.53 ATOM 1778 O SER 113 5.334 -30.379 19.472 1.00 24.20 ATOM 1779 N LEU 114 7.511 -29.843 19.695 1.00 75.13 ATOM 1780 HN LEU 114 8.438 -30.104 19.511 1.00 37.30 ATOM 1781 CA LEU 114 7.254 -28.613 20.458 1.00 33.25 ATOM 1782 HA LEU 114 6.654 -28.876 21.319 1.00 42.42 ATOM 1783 CB LEU 114 8.577 -27.999 20.941 1.00 45.33 ATOM 1784 HB1 LEU 114 8.356 -27.066 21.442 1.00 37.30 ATOM 1785 HB2 LEU 114 9.184 -27.784 20.072 1.00 2.33 ATOM 1786 CG LEU 114 9.401 -28.874 21.899 1.00 10.34 ATOM 1787 HG LEU 114 9.628 -29.812 21.409 1.00 11.12 ATOM 1788 CD1 LEU 114 10.726 -28.197 22.242 1.00 74.11 ATOM 1789 HD11 LEU 114 11.296 -28.836 22.900 1.00 12.33 ATOM 1790 HD12 LEU 114 10.535 -27.254 22.734 1.00 61.11 ATOM 1791 HD13 LEU 114 11.289 -28.022 21.336 1.00 71.40 ATOM 1792 CD2 LEU 114 8.606 -29.189 23.166 1.00 53.43 ATOM 1793 HD21 LEU 114 7.720 -29.749 22.905 1.00 24.21 ATOM 1794 HD22 LEU 114 8.319 -28.269 23.653 1.00 52.34 ATOM 1795 HD23 LEU 114 9.216 -29.776 23.837 1.00 52.54 ATOM 1796 C LEU 114 6.483 -27.587 19.611 1.00 0.23 ATOM 1797 O LEU 114 5.501 -26.999 20.068 1.00 74.22 ATOM 1798 N VAL 115 6.935 -27.379 18.371 1.00 64.43 ATOM 1799 HN VAL 115 7.756 -27.830 18.084 1.00 37.30 ATOM 1800 CA VAL 115 6.242 -26.487 17.432 1.00 52.35 ATOM 1801 HA VAL 115 6.235 -25.493 17.862 1.00 42.40 ATOM 1802 CB VAL 115 6.972 -26.423 16.063 1.00 52.44 ATOM 1803 HB VAL 115 7.028 -27.426 15.664 1.00 71.12 ATOM 1804 CG1 VAL 115 6.199 -25.559 15.064 1.00 52.41 ATOM 1805 HG11 VAL 115 6.751 -25.498 14.136 1.00 62.15 ATOM 1806 HG12 VAL 115 6.068 -24.565 15.469 1.00 30.32 ATOM 1807 HG13 VAL 115 5.230 -26.001 14.877 1.00 20.10 ATOM 1808 CG2 VAL 115 8.398 -25.900 16.234 1.00 3.41 ATOM 1809 HG21 VAL 115 8.900 -25.898 15.276 1.00 2.25 ATOM 1810 HG22 VAL 115 8.937 -26.537 16.920 1.00 44.42 ATOM 1811 HG23 VAL 115 8.370 -24.893 16.625 1.00 32.01 ATOM 1812 C VAL 115 4.792 -26.941 17.215 1.00 54.24 ATOM 1813 O VAL 115 3.865 -26.132 17.248 1.00 23.02 ATOM 1814 N THR 116 4.602 -28.245 17.008 1.00 51.12 ATOM 1815 HN THR 116 5.383 -28.836 16.944 1.00 37.30 ATOM 1816 CA THR 116 3.255 -28.815 16.869 1.00 53.53 ATOM 1817 HA THR 116 2.776 -28.335 16.025 1.00 35.33 ATOM 1818 CB THR 116 3.290 -30.340 16.606 1.00 63.11 ATOM 1819 HB THR 116 3.723 -30.828 17.469 1.00 3.01 ATOM 1820 OG1 THR 116 4.103 -30.627 15.454 1.00 61.30 ATOM 1821 HG1 THR 116 4.973 -30.934 15.745 1.00 45.22 ATOM 1822 CG2 THR 116 1.876 -30.889 16.392 1.00 62.23 ATOM 1823 HG21 THR 116 1.280 -30.720 17.282 1.00 25.22 ATOM 1824 HG22 THR 116 1.926 -31.950 16.192 1.00 72.31 ATOM 1825 HG23 THR 116 1.417 -30.386 15.553 1.00 3.44 ATOM 1826 C THR 116 2.418 -28.556 18.126 1.00 61.43 ATOM 1827 O THR 116 1.252 -28.179 18.038 1.00 64.12 ATOM 1828 N LEU 117 3.031 -28.759 19.292 1.00 25.14 ATOM 1829 HN LEU 117 3.954 -29.094 19.290 1.00 37.30 ATOM 1830 CA LEU 117 2.377 -28.498 20.578 1.00 34.01 ATOM 1831 HA LEU 117 1.528 -29.164 20.659 1.00 33.44 ATOM 1832 CB LEU 117 3.353 -28.791 21.728 1.00 64.52 ATOM 1833 HB1 LEU 117 4.198 -28.125 21.629 1.00 37.30 ATOM 1834 HB2 LEU 117 3.707 -29.807 21.621 1.00 64.31 ATOM 1835 CG LEU 117 2.777 -28.626 23.142 1.00 31.30 ATOM 1836 HG LEU 117 2.378 -27.625 23.245 1.00 42.23 ATOM 1837 CD1 LEU 117 1.636 -29.608 23.386 1.00 51.15 ATOM 1838 HD11 LEU 117 1.991 -30.621 23.250 1.00 35.02 ATOM 1839 HD12 LEU 117 0.835 -29.411 22.688 1.00 34.15 ATOM 1840 HD13 LEU 117 1.267 -29.489 24.395 1.00 45.04 ATOM 1841 CD2 LEU 117 3.871 -28.803 24.189 1.00 32.31 ATOM 1842 HD21 LEU 117 4.291 -29.796 24.112 1.00 24.30 ATOM 1843 HD22 LEU 117 3.453 -28.665 25.175 1.00 61.25 ATOM 1844 HD23 LEU 117 4.648 -28.071 24.024 1.00 53.12 ATOM 1845 C LEU 117 1.881 -27.042 20.657 1.00 11.13 ATOM 1846 O LEU 117 0.773 -26.771 21.123 1.00 15.11 ATOM 1847 N ASN 118 2.713 -26.111 20.191 1.00 11.51 ATOM 1848 HN ASN 118 3.610 -26.382 19.893 1.00 37.30 ATOM 1849 CA ASN 118 2.339 -24.693 20.118 1.00 24.12 ATOM 1850 HA ASN 118 2.026 -24.381 21.105 1.00 72.32 ATOM 1851 CB ASN 118 3.558 -23.858 19.692 1.00 71.32 ATOM 1852 HB1 ASN 118 3.903 -24.204 18.729 1.00 37.30 ATOM 1853 HB2 ASN 118 4.347 -23.992 20.418 1.00 73.21 ATOM 1854 CG ASN 118 3.255 -22.372 19.589 1.00 60.41 ATOM 1855 OD1 ASN 118 2.857 -21.875 18.540 1.00 24.31 ATOM 1856 ND2 ASN 118 3.451 -21.648 20.672 1.00 62.31 ATOM 1857 HD21 ASN 118 3.778 -22.096 21.476 1.00 2.42 ATOM 1858 HD22 ASN 118 3.267 -20.689 20.621 1.00 2.03 ATOM 1859 C ASN 118 1.175 -24.473 19.134 1.00 62.14 ATOM 1860 O ASN 118 0.202 -23.786 19.445 1.00 24.53 ATOM 1861 N LYS 119 1.278 -25.076 17.952 1.00 64.30 ATOM 1862 HN LYS 119 2.056 -25.647 17.781 1.00 37.30 ATOM 1863 CA LYS 119 0.271 -24.911 16.896 1.00 13.43 ATOM 1864 HA LYS 119 0.170 -23.852 16.707 1.00 65.21 ATOM 1865 CB LYS 119 0.751 -25.593 15.607 1.00 21.11 ATOM 1866 HB1 LYS 119 -0.048 -25.561 14.879 1.00 37.30 ATOM 1867 HB2 LYS 119 0.983 -26.625 15.826 1.00 54.34 ATOM 1868 CG LYS 119 1.987 -24.943 14.989 1.00 14.15 ATOM 1869 HG1 LYS 119 2.788 -24.953 15.716 1.00 37.30 ATOM 1870 HG2 LYS 119 1.753 -23.920 14.729 1.00 43.52 ATOM 1871 CD LYS 119 2.447 -25.679 13.733 1.00 52.31 ATOM 1872 HD1 LYS 119 2.787 -26.668 14.009 1.00 37.30 ATOM 1873 HD2 LYS 119 3.263 -25.131 13.284 1.00 73.21 ATOM 1874 CE LYS 119 1.322 -25.808 12.714 1.00 41.41 ATOM 1875 HE1 LYS 119 0.923 -24.825 12.505 1.00 37.30 ATOM 1876 HE2 LYS 119 0.543 -26.430 13.133 1.00 5.31 ATOM 1877 NZ LYS 119 1.785 -26.421 11.445 1.00 12.32 ATOM 1878 HZ1 LYS 119 2.157 -27.376 11.620 1.00 71.31 ATOM 1879 HZ2 LYS 119 2.537 -25.844 11.022 1.00 53.32 ATOM 1880 HZ3 LYS 119 0.994 -26.487 10.770 1.00 40.54 ATOM 1881 C LYS 119 -1.109 -25.468 17.298 1.00 53.34 ATOM 1882 O LYS 119 -2.137 -24.832 17.053 1.00 31.24 ATOM 1883 N VAL 120 -1.133 -26.655 17.901 1.00 41.22 ATOM 1884 HN VAL 120 -0.285 -27.108 18.094 1.00 37.30 ATOM 1885 CA VAL 120 -2.398 -27.303 18.279 1.00 42.42 ATOM 1886 HA VAL 120 -3.052 -27.257 17.418 1.00 33.43 ATOM 1887 CB VAL 120 -2.191 -28.798 18.638 1.00 73.04 ATOM 1888 HB VAL 120 -3.148 -29.211 18.930 1.00 71.24 ATOM 1889 CG1 VAL 120 -1.692 -29.582 17.424 1.00 54.01 ATOM 1890 HG11 VAL 120 -0.737 -29.188 17.106 1.00 44.10 ATOM 1891 HG12 VAL 120 -2.404 -29.493 16.617 1.00 0.22 ATOM 1892 HG13 VAL 120 -1.579 -30.625 17.688 1.00 72.34 ATOM 1893 CG2 VAL 120 -1.230 -28.950 19.814 1.00 74.41 ATOM 1894 HG21 VAL 120 -1.089 -29.999 20.033 1.00 15.12 ATOM 1895 HG22 VAL 120 -1.641 -28.456 20.683 1.00 14.42 ATOM 1896 HG23 VAL 120 -0.278 -28.504 19.565 1.00 43.44 ATOM 1897 C VAL 120 -3.095 -26.578 19.446 1.00 70.44 ATOM 1898 O VAL 120 -4.321 -26.474 19.476 1.00 2.12 ATOM 1899 N THR 121 -2.315 -26.075 20.402 1.00 35.31 ATOM 1900 HN THR 121 -1.345 -26.216 20.355 1.00 37.30 ATOM 1901 CA THR 121 -2.877 -25.310 21.524 1.00 4.12 ATOM 1902 HA THR 121 -3.749 -25.844 21.880 1.00 31.12 ATOM 1903 CB THR 121 -1.876 -25.188 22.697 1.00 54.01 ATOM 1904 HB THR 121 -2.298 -24.529 23.444 1.00 25.32 ATOM 1905 OG1 THR 121 -0.637 -24.630 22.234 1.00 24.54 ATOM 1906 HG1 THR 121 0.020 -25.332 22.149 1.00 51.04 ATOM 1907 CG2 THR 121 -1.620 -26.548 23.342 1.00 53.44 ATOM 1908 HG21 THR 121 -2.553 -26.959 23.706 1.00 10.53 ATOM 1909 HG22 THR 121 -0.934 -26.432 24.167 1.00 72.33 ATOM 1910 HG23 THR 121 -1.192 -27.220 22.611 1.00 4.32 ATOM 1911 C THR 121 -3.312 -23.907 21.075 1.00 24.03 ATOM 1912 O THR 121 -4.378 -23.423 21.461 1.00 53.24 ATOM 1913 N ALA 122 -2.486 -23.257 20.253 1.00 54.44 ATOM 1914 HN ALA 122 -1.608 -23.647 20.054 1.00 37.30 ATOM 1915 CA ALA 122 -2.845 -21.963 19.658 1.00 61.44 ATOM 1916 HA ALA 122 -3.002 -21.260 20.463 1.00 61.55 ATOM 1917 CB ALA 122 -1.702 -21.444 18.790 1.00 21.23 ATOM 1918 HB1 ALA 122 -1.969 -20.481 18.380 1.00 21.34 ATOM 1919 HB2 ALA 122 -1.515 -22.140 17.984 1.00 75.04 ATOM 1920 HB3 ALA 122 -0.810 -21.343 19.391 1.00 14.34 ATOM 1921 C ALA 122 -4.138 -22.068 18.834 1.00 52.11 ATOM 1922 O ALA 122 -4.948 -21.140 18.809 1.00 20.52 ATOM 1923 N ASP 123 -4.326 -23.216 18.177 1.00 34.44 ATOM 1924 HN ASP 123 -3.626 -23.903 18.217 1.00 37.30 ATOM 1925 CA ASP 123 -5.537 -23.486 17.391 1.00 32.43 ATOM 1926 HA ASP 123 -5.574 -22.767 16.586 1.00 31.25 ATOM 1927 CB ASP 123 -5.463 -24.897 16.794 1.00 74.43 ATOM 1928 HB1 ASP 123 -5.397 -25.618 17.598 1.00 37.30 ATOM 1929 HB2 ASP 123 -4.575 -24.975 16.180 1.00 44.03 ATOM 1930 CG ASP 123 -6.670 -25.238 15.935 1.00 62.32 ATOM 1931 OD1 ASP 123 -7.584 -25.932 16.426 1.00 22.33 ATOM 1932 OD2 ASP 123 -6.710 -24.815 14.760 1.00 61.11 ATOM 1933 C ASP 123 -6.809 -23.338 18.246 1.00 23.44 ATOM 1934 O ASP 123 -7.838 -22.859 17.768 1.00 11.33 ATOM 1935 N ILE 124 -6.723 -23.750 19.510 1.00 54.34 ATOM 1936 HN ILE 124 -5.885 -24.158 19.816 1.00 37.30 ATOM 1937 CA ILE 124 -7.842 -23.621 20.455 1.00 32.51 ATOM 1938 HA ILE 124 -8.687 -24.160 20.046 1.00 63.50 ATOM 1939 CB ILE 124 -7.483 -24.245 21.833 1.00 13.43 ATOM 1940 HB ILE 124 -6.645 -23.696 22.240 1.00 71.43 ATOM 1941 CG1 ILE 124 -7.074 -25.718 21.662 1.00 21.40 ATOM 1942 HG11 ILE 124 -6.253 -25.777 20.960 1.00 37.30 ATOM 1943 HG12 ILE 124 -7.912 -26.278 21.273 1.00 71.45 ATOM 1944 CG2 ILE 124 -8.651 -24.116 22.818 1.00 65.44 ATOM 1945 HG21 ILE 124 -8.895 -23.071 22.957 1.00 14.31 ATOM 1946 HG22 ILE 124 -8.371 -24.547 23.769 1.00 30.44 ATOM 1947 HG23 ILE 124 -9.514 -24.637 22.428 1.00 23.51 ATOM 1948 CD1 ILE 124 -6.630 -26.384 22.949 1.00 54.51 ATOM 1949 HD11 ILE 124 -6.366 -27.412 22.750 1.00 64.24 ATOM 1950 HD12 ILE 124 -7.434 -26.352 23.669 1.00 32.11 ATOM 1951 HD13 ILE 124 -5.771 -25.864 23.345 1.00 4.33 ATOM 1952 C ILE 124 -8.240 -22.145 20.655 1.00 64.40 ATOM 1953 O ILE 124 -9.405 -21.830 20.912 1.00 3.23 ATOM 1954 N GLY 125 -7.268 -21.246 20.513 1.00 55.03 ATOM 1955 HN GLY 125 -6.375 -21.552 20.256 1.00 37.30 ATOM 1956 CA GLY 125 -7.512 -19.821 20.714 1.00 12.24 ATOM 1957 HA1 GLY 125 -8.573 -19.627 20.636 1.00 37.30 ATOM 1958 HA2 GLY 125 -7.002 -19.272 19.936 1.00 22.14 ATOM 1959 C GLY 125 -7.018 -19.320 22.070 1.00 52.22 ATOM 1960 O GLY 125 -7.805 -18.835 22.884 1.00 22.44 ATOM 1961 N LEU 126 -5.709 -19.437 22.305 1.00 21.52 ATOM 1962 HN LEU 126 -5.135 -19.810 21.605 1.00 37.30 ATOM 1963 HA LEU 126 -5.689 -19.458 24.378 1.00 37.30 ATOM 1964 CB LEU 126 -3.664 -19.562 23.683 1.00 12.42 ATOM 1965 HB1 LEU 126 -3.231 -19.199 24.605 1.00 37.30 ATOM 1966 HB2 LEU 126 -3.093 -19.157 22.857 1.00 41.21 ATOM 1967 CG LEU 126 -3.529 -21.094 23.659 1.00 71.52 ATOM 1968 HG LEU 126 -3.908 -21.465 22.716 1.00 44.44 ATOM 1969 CD1 LEU 126 -2.062 -21.506 23.765 1.00 31.44 ATOM 1970 HD11 LEU 126 -1.987 -22.583 23.745 1.00 35.31 ATOM 1971 HD12 LEU 126 -1.647 -21.133 24.691 1.00 22.30 ATOM 1972 HD13 LEU 126 -1.511 -21.092 22.932 1.00 40.33 ATOM 1973 CD2 LEU 126 -4.352 -21.731 24.782 1.00 40.53 ATOM 1974 HD21 LEU 126 -5.390 -21.446 24.678 1.00 73.23 ATOM 1975 HD22 LEU 126 -3.982 -21.394 25.740 1.00 14.10 ATOM 1976 HD23 LEU 126 -4.269 -22.807 24.723 1.00 71.43 ATOM 1977 CA LEU 126 -5.100 -19.023 23.580 1.00 31.31 ATOM 1978 C LEU 126 -5.101 -17.490 23.751 1.00 33.13 ATOM 1979 OT1 LEU 126 -4.266 -16.808 23.106 1.00 37.30 ATOM 1980 OT2 LEU 126 -5.920 -16.975 24.543 1.00 37.30 ATOM 1981 OH2 TIP3 1 -4.357 -43.657 11.576 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -4.542 -42.739 11.869 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -5.081 -43.866 10.984 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -0.926 -39.317 16.583 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -0.686 -39.321 15.633 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -1.542 -38.569 16.671 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -4.856 -41.099 12.562 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -5.408 -40.291 12.491 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -3.940 -40.750 12.639 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -9.323 -43.795 17.417 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -8.913 -44.651 17.261 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -9.030 -43.549 18.329 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -2.761 -46.448 15.648 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -2.966 -45.740 15.001 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -1.790 -46.425 15.725 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -7.021 -42.270 16.807 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -6.569 -43.004 17.286 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -7.942 -42.581 16.719 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -4.509 -39.811 16.039 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -3.827 -39.262 15.612 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.345 -39.398 15.770 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 0.504 -39.457 18.866 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 0.866 -38.554 18.978 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -0.115 -39.375 18.100 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -4.898 -42.640 14.940 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -4.956 -42.026 14.180 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -5.674 -42.417 15.487 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.903 -35.641 12.059 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -5.502 -35.076 11.557 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.075 -35.641 11.531 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -4.182 -47.767 17.507 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -3.649 -47.212 16.889 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -4.604 -48.412 16.935 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -5.971 -43.736 20.783 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -6.098 -43.121 21.533 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -5.354 -44.421 21.138 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -4.029 -47.864 20.208 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -4.062 -47.765 19.228 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -4.207 -48.794 20.356 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -2.419 -38.249 10.587 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -2.647 -38.813 11.353 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -1.456 -38.391 10.465 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 0.276 -38.408 10.332 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 0.974 -38.889 10.829 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 0.610 -37.490 10.281 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -3.096 -44.359 13.888 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -3.459 -44.310 12.974 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -3.708 -43.790 14.415 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -2.590 -39.644 12.975 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -2.971 -38.946 13.550 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -1.681 -39.756 13.313 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -1.302 -42.857 19.041 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -0.947 -43.254 18.214 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -0.506 -42.526 19.507 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -11.230 -40.352 19.870 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -12.140 -40.058 19.981 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.309 -41.168 19.307 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -3.296 -37.674 14.729 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.166 -37.246 14.734 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -2.664 -36.931 14.698 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.510 -37.924 15.267 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.839 -38.454 16.029 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -7.187 -37.219 15.160 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.710 -38.447 12.674 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -6.065 -38.258 13.566 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.413 -37.583 12.348 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -3.464 -45.387 29.339 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.152 -44.918 29.853 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -3.558 -45.032 28.436 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.946 -39.688 23.906 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -10.296 -39.856 24.787 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.187 -39.078 24.061 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -5.169 -42.175 25.029 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -5.525 -42.053 24.134 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -5.698 -41.566 25.584 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -5.040 -40.423 30.668 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -4.744 -40.840 29.831 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -5.884 -40.882 30.875 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.514 -40.622 26.893 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.926 -39.994 27.492 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -5.924 -41.156 27.473 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.815 -42.080 28.495 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -4.367 -42.618 27.804 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -4.933 -42.706 29.241 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -4.416 -43.180 33.227 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -3.732 -43.658 33.749 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -4.116 -42.245 33.241 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 0.847 -48.754 29.771 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -0.054 -48.381 29.667 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 1.251 -48.656 28.888 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -0.857 -43.915 26.730 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -0.044 -43.399 26.529 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -0.618 -44.431 27.530 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -5.234 -43.698 30.667 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -4.880 -43.631 31.582 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.122 -43.294 30.728 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -9.166 -40.935 21.616 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -9.468 -40.541 22.467 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -9.945 -40.840 21.022 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 1.263 -38.944 32.635 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 1.515 -38.182 32.102 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 2.013 -39.045 33.284 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -7.870 -37.981 24.156 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -6.915 -38.193 24.096 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -8.019 -37.348 23.422 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -4.250 -45.593 21.722 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.168 -46.434 21.216 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.559 -45.652 22.393 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -6.921 -42.088 22.834 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.404 -42.558 23.525 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.610 -41.564 22.373 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -7.309 -41.851 31.233 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -7.829 -41.032 31.395 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.430 -42.376 32.058 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -0.109 -42.815 34.044 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -0.989 -43.227 33.970 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -0.136 -42.354 34.913 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -4.820 -37.771 31.212 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -4.947 -38.705 30.928 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.427 -37.260 30.635 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.671 -43.808 26.766 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -2.710 -43.806 26.570 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.081 -43.395 25.974 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -12.621 -44.801 19.764 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -11.978 -45.325 20.250 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -13.473 -45.149 20.042 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.870 -38.995 19.416 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -8.569 -39.379 20.255 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.801 -39.296 19.340 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.256 -38.099 30.112 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.165 -37.852 30.352 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -1.876 -38.429 30.941 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -11.590 -42.598 18.477 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -12.045 -43.378 18.860 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -10.902 -42.986 17.898 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -4.640 -40.475 35.739 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -4.234 -40.440 34.848 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -5.536 -40.841 35.578 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -6.057 -44.440 18.139 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.486 -45.212 18.047 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.989 -44.203 19.090 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -0.687 -44.679 24.066 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -0.896 -44.509 25.006 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -0.424 -43.800 23.717 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -10.433 -36.192 23.759 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -10.807 -37.045 23.505 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -9.686 -36.061 23.130 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -1.489 -38.742 32.747 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -0.549 -39.018 32.771 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.472 -37.828 33.092 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -2.261 -42.210 38.709 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -2.955 -41.543 38.520 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -1.645 -42.144 37.939 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 1.583 -42.848 26.116 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 1.816 -42.186 25.438 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 2.210 -43.572 25.967 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.450 -47.187 29.880 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -2.277 -46.665 29.744 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.327 -47.195 30.851 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -3.640 -40.526 33.102 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -4.117 -40.410 32.252 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -2.876 -39.914 33.030 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 1.785 -45.488 23.205 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 0.904 -45.390 23.630 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 1.603 -45.364 22.255 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -10.034 -39.454 34.156 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.593 -39.363 35.028 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -10.859 -39.901 34.355 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.605 -38.067 33.365 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -5.848 -37.922 32.764 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -7.220 -38.624 32.844 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -8.849 -35.095 34.260 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -9.409 -34.379 34.632 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -7.950 -34.728 34.293 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -8.504 -39.508 31.912 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -8.944 -38.930 31.247 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -9.108 -39.480 32.691 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.581 -36.113 29.865 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -7.218 -35.839 30.552 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.938 -35.369 29.820 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -8.507 -43.066 19.883 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -7.621 -43.370 20.164 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -8.727 -42.358 20.512 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.457 -37.912 39.383 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.556 -37.686 39.718 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -4.520 -37.441 38.524 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.664 -40.281 41.478 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -3.881 -40.348 40.532 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -4.522 -40.213 41.913 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -6.997 -37.831 40.415 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -6.047 -37.793 40.169 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -7.227 -36.904 40.628 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -8.311 -39.818 39.173 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.996 -40.076 39.798 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.866 -39.046 39.606 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -7.204 -41.513 35.823 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -7.825 -40.771 35.972 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -7.080 -41.904 36.715 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -4.367 -40.461 38.443 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -4.495 -39.513 38.670 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -4.433 -40.483 37.452 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -3.308 -44.480 39.771 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -4.267 -44.456 39.692 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -3.009 -43.644 39.344 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.688 -41.938 38.470 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -7.302 -41.243 38.774 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -5.807 -41.528 38.544 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.711 -39.282 36.575 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -8.262 -38.421 36.446 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.644 -39.444 37.543 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -7.202 -43.114 33.603 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -7.309 -42.581 34.419 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -6.249 -43.318 33.575 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.081 -44.689 37.016 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.691 -43.783 36.900 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -1.054 -44.835 37.976 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 0.786 -38.693 43.644 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -0.119 -38.636 43.273 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 0.710 -38.264 44.519 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 3.155 -48.716 39.554 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 3.039 -48.136 38.779 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 3.089 -49.605 39.196 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 0.897 -48.279 36.374 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 1.755 -47.922 36.680 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 0.316 -48.212 37.165 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.890 -38.434 42.728 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.534 -39.146 42.560 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.831 -37.962 41.872 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -4.915 -36.945 36.868 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -5.838 -37.045 36.542 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -4.374 -37.324 36.161 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -9.022 -30.123 14.529 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -8.626 -30.954 14.854 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -8.354 -29.438 14.761 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -4.854 -27.336 10.626 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.559 -27.959 10.929 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.858 -26.626 11.301 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -4.679 -25.324 12.646 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.488 -25.132 13.161 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -4.023 -25.588 13.326 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -9.652 -28.529 12.340 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -9.617 -29.234 13.020 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.305 -27.737 12.801 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 0.702 -35.602 12.672 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 0.186 -35.674 13.493 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 1.626 -35.654 12.959 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -1.219 -35.739 15.149 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -1.688 -34.933 15.449 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -1.222 -36.316 15.936 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -12.093 -26.829 12.643 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -11.678 -26.072 12.191 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -11.537 -27.587 12.396 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -10.599 -22.590 12.584 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -10.060 -22.734 13.400 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -10.566 -23.455 12.125 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -8.889 -26.258 13.668 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -9.545 -26.379 14.388 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.100 -25.884 14.123 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -2.800 -35.640 10.173 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -2.706 -36.613 10.331 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -2.952 -35.569 9.225 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -2.171 -27.939 10.474 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.149 -27.871 10.540 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.988 -27.845 9.511 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.869 -29.860 13.444 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -2.455 -29.115 13.269 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.059 -29.651 12.939 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -7.112 -28.508 15.560 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -7.256 -27.542 15.645 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -7.300 -28.851 16.447 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -10.132 -25.142 11.543 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -9.620 -25.446 12.329 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -9.714 -25.593 10.802 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -15.859 -28.605 20.208 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -15.586 -29.306 20.843 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -15.359 -28.803 19.409 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -11.978 -24.116 18.506 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -11.798 -23.173 18.710 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -11.318 -24.339 17.812 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -7.175 -39.588 17.324 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -7.843 -39.477 18.032 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.179 -40.555 17.136 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -4.787 -34.580 14.622 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -4.926 -35.079 13.789 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -4.402 -33.728 14.326 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.136 -30.802 18.269 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -8.774 -31.133 18.931 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.266 -29.828 18.277 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -7.361 -31.908 15.872 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.998 -32.768 16.158 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -7.628 -31.472 16.714 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -6.816 -28.991 11.580 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -7.781 -28.959 11.687 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -6.528 -29.687 12.209 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.325 -29.442 15.957 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.270 -29.727 16.891 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -10.549 -29.855 15.532 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -5.946 -31.006 13.438 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -6.467 -31.158 14.248 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.061 -31.346 13.659 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -10.895 -26.993 18.852 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -10.781 -26.838 19.821 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -11.274 -26.160 18.525 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.440 -36.001 15.362 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -8.677 -36.217 16.293 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.992 -35.244 15.147 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -3.142 -26.171 14.763 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -3.708 -26.843 15.159 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -2.916 -25.581 15.504 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -13.453 -19.603 16.647 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -14.117 -20.099 17.179 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -13.208 -20.227 15.928 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -18.142 -27.284 20.644 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -17.311 -27.769 20.446 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -18.750 -27.967 20.925 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -8.478 -28.042 18.008 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -9.346 -27.744 18.354 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -8.108 -27.241 17.576 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -11.134 -26.853 15.192 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -11.272 -27.772 15.525 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.701 -26.803 14.391 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -6.554 -33.316 19.446 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -6.835 -32.396 19.326 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -6.229 -33.584 18.564 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -6.376 -34.356 16.866 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -5.917 -34.586 16.029 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -6.964 -35.109 17.029 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -8.837 -34.656 19.951 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -7.949 -34.240 19.830 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -9.425 -33.896 20.137 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -1.167 -21.787 14.182 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.240 -21.992 15.119 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -2.099 -21.676 13.887 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -1.011 -25.407 10.753 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -1.657 -24.692 10.912 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -1.557 -26.207 10.655 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -3.404 -32.114 14.281 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -2.930 -32.400 15.078 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -2.877 -31.353 13.948 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -2.895 -33.997 16.597 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.129 -33.973 17.549 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -3.719 -34.278 16.156 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -10.111 -24.925 16.732 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.565 -25.641 16.226 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -9.182 -25.241 16.811 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -12.435 -20.945 14.446 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -12.215 -21.703 13.885 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -11.848 -20.233 14.126 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -7.814 -20.704 16.224 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -8.700 -20.319 16.388 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.811 -21.521 16.761 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -3.715 -21.495 13.280 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -3.885 -20.528 13.254 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -4.559 -21.871 13.632 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.307 -20.099 11.544 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.059 -20.230 10.627 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.426 -21.013 11.896 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 1.702 -34.558 7.940 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 1.928 -35.456 7.622 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 1.112 -34.722 8.711 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -6.070 -30.494 31.570 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -6.261 -31.438 31.452 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -5.669 -30.439 32.460 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -8.350 -17.680 25.619 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -8.883 -16.904 25.371 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -7.576 -17.639 25.014 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -9.793 -27.818 32.060 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -9.392 -28.501 31.473 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.238 -27.848 32.874 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -7.500 -34.067 27.763 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -7.722 -34.986 27.987 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -7.157 -33.698 28.590 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -11.140 -34.396 27.400 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -10.430 -35.025 27.148 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -11.452 -34.041 26.552 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -8.582 -29.859 30.727 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -8.734 -30.773 30.469 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -7.637 -29.842 30.998 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -12.865 -30.537 31.649 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -12.830 -30.069 30.806 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -12.730 -29.830 32.320 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -9.624 -37.656 30.265 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -9.159 -36.878 30.620 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -10.363 -37.284 29.772 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.471 -27.967 23.754 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.386 -27.665 23.727 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.179 -27.763 24.673 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.549 -32.036 20.584 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -8.945 -32.251 21.333 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.141 -31.347 20.945 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -10.903 -27.231 26.328 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -10.545 -27.630 27.125 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -10.820 -26.265 26.486 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.941 -23.230 26.622 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.535 -23.983 26.528 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -8.533 -22.453 26.582 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.171 -28.406 33.264 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -12.427 -27.542 33.649 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.359 -28.202 32.744 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -11.953 -25.758 34.286 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -11.438 -25.633 33.460 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -12.270 -24.865 34.498 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -12.927 -23.473 27.699 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -12.558 -22.814 28.323 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -13.285 -22.940 26.977 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -7.398 -36.992 35.691 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -7.065 -37.456 34.880 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -8.116 -36.418 35.353 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -8.568 -36.517 18.011 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -8.729 -35.841 18.709 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -8.663 -37.370 18.480 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.222 -33.664 24.575 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.057 -34.561 24.212 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.325 -33.325 24.787 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -9.859 -32.716 35.200 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -9.979 -32.471 36.144 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -10.739 -32.544 34.791 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -11.316 -30.149 21.774 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -11.875 -30.701 22.355 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.168 -29.335 22.292 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -8.619 -32.976 25.387 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -8.178 -32.141 25.583 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -8.392 -33.551 26.150 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.936 -31.731 23.498 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -13.284 -31.470 24.357 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -12.342 -32.491 23.702 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -4.961 -33.912 29.880 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -5.603 -33.381 30.381 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -4.088 -33.649 30.253 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -2.376 -22.803 32.566 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -2.205 -23.379 31.797 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -2.739 -21.989 32.174 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -7.275 -32.991 31.073 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -7.408 -32.688 32.004 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -7.841 -33.784 31.004 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.020 -34.604 30.137 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -11.103 -34.474 29.165 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -11.808 -34.154 30.507 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.768 -26.513 21.479 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -11.266 -25.674 21.612 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.839 -26.971 22.334 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -8.601 -28.045 34.504 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -7.739 -28.258 34.917 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.041 -27.466 35.158 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -11.027 -29.481 35.527 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.097 -29.506 35.246 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -11.518 -29.256 34.709 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -11.991 -22.126 25.109 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -12.931 -21.851 25.177 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -11.773 -21.994 24.159 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.648 -24.525 26.720 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -11.479 -24.269 27.190 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.671 -23.998 25.905 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -12.397 -21.221 31.640 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -12.130 -21.852 32.345 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -12.990 -20.612 32.081 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -11.558 -21.631 22.448 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -11.914 -20.730 22.294 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -10.728 -21.650 21.930 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.703 -24.078 29.604 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -8.791 -23.693 29.640 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.817 -24.331 28.674 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -12.259 -24.232 21.765 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -12.054 -23.315 22.037 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -12.940 -24.129 21.084 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.502 -34.054 35.551 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -5.566 -34.154 35.249 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -6.626 -34.783 36.180 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -7.941 -33.002 22.608 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -7.099 -33.471 22.485 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -8.106 -33.053 23.567 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -7.614 -32.418 33.643 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -8.497 -32.333 34.062 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -7.061 -32.818 34.339 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -14.476 -23.435 19.482 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -13.692 -23.807 19.025 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -15.041 -24.220 19.668 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.345 -22.910 36.297 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -7.666 -23.257 37.134 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -6.441 -23.285 36.214 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -15.900 -25.697 20.074 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -15.553 -26.599 20.144 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -16.852 -25.796 20.253 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.335 -26.945 36.359 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.924 -26.380 35.823 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -10.759 -27.825 36.330 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -14.980 -30.788 21.677 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -15.249 -31.665 21.392 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -14.197 -30.950 22.237 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -12.060 -32.432 33.626 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.326 -33.194 33.090 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -12.235 -31.668 33.053 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.354 -29.715 18.792 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -11.406 -29.929 19.737 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.254 -28.739 18.774 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -6.440 -28.954 35.970 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -6.070 -29.646 35.390 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -6.950 -29.451 36.646 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -13.211 -33.250 31.189 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -13.167 -32.275 31.288 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -14.154 -33.444 31.165 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -10.048 -32.090 37.914 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -10.027 -32.868 38.518 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -10.975 -31.768 37.968 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -9.984 -34.242 39.653 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -9.102 -34.545 39.956 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -10.580 -34.517 40.354 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -11.482 -23.003 33.495 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.719 -22.592 33.964 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -11.071 -23.667 32.906 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -10.557 -25.186 31.978 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -10.279 -24.752 31.139 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -10.181 -26.091 31.912 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.792 -19.690 27.322 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -8.007 -19.028 26.627 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -8.516 -20.351 27.251 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -7.257 -22.925 29.288 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.629 -22.189 29.425 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -7.205 -23.106 28.328 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -5.651 -20.651 29.059 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -4.876 -20.171 28.715 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -6.402 -20.283 28.554 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -11.319 -21.868 29.238 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -10.762 -22.606 29.558 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -11.734 -21.508 30.059 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.294 -36.116 26.299 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.637 -36.819 26.225 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.720 -36.096 25.417 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.756 -35.260 31.454 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -8.930 -35.307 32.422 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -9.625 -34.986 31.064 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -8.242 -36.146 22.134 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -7.369 -35.719 22.279 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -8.576 -35.723 21.310 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -15.108 -20.937 18.407 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -14.801 -21.811 18.741 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -15.814 -20.693 19.009 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -0.878 -23.524 34.744 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -1.028 -24.482 34.859 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -1.485 -23.269 34.007 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.040 -30.159 37.849 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.901 -30.619 37.945 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -7.380 -30.880 37.935 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -4.389 -31.163 39.403 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -3.619 -30.698 39.015 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -5.017 -31.249 38.659 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -1.594 -23.959 37.360 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -1.346 -24.880 37.137 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -1.312 -23.446 36.579 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -1.924 -30.319 38.295 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -1.362 -30.252 37.476 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -1.429 -30.919 38.870 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.451 -35.013 40.501 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -6.855 -35.015 39.721 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -7.159 -34.230 41.016 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.276 -32.232 37.666 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -6.217 -32.949 38.327 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -6.440 -32.701 36.826 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.105 -32.693 41.195 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -5.468 -33.004 41.874 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -5.662 -31.932 40.787 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 0.529 -33.055 41.914 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 1.354 -32.527 41.855 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 0.053 -32.848 41.080 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 0.495 -25.702 40.190 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 0.450 -26.381 39.479 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 0.159 -26.156 40.966 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -5.387 -26.800 37.336 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -5.575 -27.502 36.679 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -6.231 -26.715 37.829 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -1.673 -22.880 39.821 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -2.378 -23.348 40.283 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -1.621 -23.334 38.940 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -2.723 -27.792 37.233 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -3.618 -27.500 37.492 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -2.593 -28.632 37.713 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -5.543 -34.819 38.548 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -5.188 -35.526 37.975 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -4.756 -34.500 39.052 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -9.261 -21.871 34.621 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -8.776 -21.128 34.256 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -8.623 -22.293 35.239 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -4.835 -24.109 36.669 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -4.982 -25.055 36.877 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -3.881 -23.988 36.779 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -8.027 -27.294 38.031 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.862 -27.062 37.584 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.070 -28.264 38.129 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -12.438 -30.899 37.379 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -13.339 -30.693 37.126 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -11.886 -30.392 36.744 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -0.770 -33.063 39.506 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -0.507 -34.006 39.576 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -0.691 -32.867 38.541 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -3.406 -33.681 39.768 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -3.772 -32.770 39.725 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -2.438 -33.550 39.692 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -0.589 -33.008 36.870 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -0.045 -33.789 36.658 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -0.379 -32.364 36.155 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.927 -33.747 42.458 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.141 -34.096 42.921 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.736 -33.909 41.515 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -2.305 -36.745 44.871 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -2.178 -35.893 44.419 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -2.292 -37.402 44.149 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -1.838 -37.576 40.072 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -1.354 -38.425 39.977 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -1.205 -36.898 39.748 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -2.775 -16.598 13.480 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -2.061 -16.650 14.156 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -2.306 -16.449 12.652 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -0.677 -16.848 15.290 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -0.253 -16.418 16.062 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -0.408 -17.770 15.358 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.380 -18.828 13.297 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -5.155 -18.793 13.907 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.903 -17.990 13.471 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -10.621 -18.918 13.974 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -10.454 -19.229 13.052 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -9.857 -18.331 14.170 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -4.258 -15.219 17.356 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.590 -15.004 16.450 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.316 -15.377 17.226 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.122 -23.294 14.745 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.303 -23.825 14.716 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -9.585 -23.617 15.545 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -4.699 -14.942 14.708 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.151 -15.511 14.136 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -5.593 -15.000 14.321 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -6.456 -18.614 15.077 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -6.807 -19.453 15.447 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -7.251 -18.053 14.968 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -8.725 -17.046 14.762 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -9.319 -16.587 15.393 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -8.209 -16.320 14.352 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -5.372 -17.411 18.564 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -5.072 -16.621 18.059 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.461 -18.103 17.891 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -5.835 -14.983 21.752 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -5.144 -14.618 21.157 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -5.341 -15.596 22.345 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -12.417 -17.358 15.407 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.911 -17.887 14.761 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -12.964 -18.019 15.880 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -8.201 -14.318 16.621 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -7.979 -14.423 17.554 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -9.119 -14.665 16.552 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -7.408 -14.687 14.061 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -7.648 -13.887 13.583 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -7.600 -14.470 15.007 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.333 -19.846 16.878 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -10.692 -19.848 15.974 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -10.579 -18.975 17.230 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -11.219 -21.531 18.950 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -10.474 -21.634 19.572 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -10.817 -21.111 18.158 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -1.437 -15.706 19.721 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -1.249 -15.289 20.582 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -2.051 -16.447 19.941 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -6.149 -22.198 14.267 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -6.370 -23.149 14.386 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -6.881 -21.726 14.705 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -2.831 -23.459 11.527 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -3.083 -22.684 12.071 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.540 -24.109 11.703 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.265 -19.004 19.204 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -12.814 -18.911 18.403 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -12.068 -19.964 19.244 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -6.131 -10.444 26.749 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -5.530 -10.925 27.365 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -6.502 -9.742 27.288 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -3.158 -13.836 27.732 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -3.927 -14.237 28.183 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -3.140 -14.273 26.858 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.227 -20.787 30.626 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.154 -20.069 29.957 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -4.125 -21.136 30.494 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -5.802 -14.786 28.481 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -6.656 -15.107 28.841 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -5.957 -14.735 27.516 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -9.991 -21.360 26.862 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -10.456 -21.420 27.726 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -10.703 -21.496 26.198 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -6.539 -11.321 24.162 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -6.455 -11.124 25.125 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -6.097 -10.585 23.734 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -10.647 -9.343 21.858 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -10.389 -9.024 22.724 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -10.303 -10.237 21.819 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -3.627 -15.183 25.325 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -4.495 -14.802 25.557 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -3.820 -15.746 24.542 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -0.486 -13.504 24.591 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -0.763 -12.898 25.315 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 0.124 -14.123 25.029 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -5.143 -13.440 30.831 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -5.169 -14.059 31.588 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -5.395 -13.989 30.065 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -8.365 -15.487 29.326 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -8.932 -16.205 28.953 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.574 -15.484 30.266 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -1.430 -14.277 22.181 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -1.170 -13.930 23.075 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -2.221 -13.766 21.951 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -7.635 -16.418 19.855 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -6.858 -16.791 19.392 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -7.253 -15.925 20.601 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -7.596 -13.778 23.510 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -7.259 -12.855 23.595 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -7.038 -14.173 22.801 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -6.360 -14.674 25.782 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.773 -14.171 25.050 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -6.261 -15.591 25.411 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -10.519 -15.687 16.403 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -10.454 -16.161 17.267 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -11.337 -16.052 15.993 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -11.774 -16.776 25.845 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -12.438 -16.105 26.028 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -11.108 -16.313 25.301 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -10.098 -17.421 22.741 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -9.273 -17.942 22.837 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -9.954 -16.642 23.304 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -5.372 -18.258 26.956 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -6.193 -18.757 27.123 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -5.567 -17.739 26.149 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -8.866 -14.111 26.971 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -8.804 -14.475 27.876 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -7.941 -14.046 26.679 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -14.560 -21.174 25.288 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -14.239 -20.269 25.059 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -15.455 -21.199 24.943 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -13.494 -18.798 24.455 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -12.850 -18.246 24.934 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -13.130 -18.855 23.546 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -1.466 -16.906 22.981 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -2.419 -17.127 22.901 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -1.421 -15.962 22.728 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -9.952 -17.313 28.065 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -9.337 -17.911 27.613 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -10.708 -17.248 27.455 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -9.596 -15.316 24.658 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.528 -14.836 25.519 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -9.009 -14.802 24.057 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -10.130 -17.102 18.653 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -9.358 -16.901 19.223 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -10.709 -17.648 19.212 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -4.855 -15.488 32.807 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.928 -15.647 32.611 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -5.055 -16.109 33.540 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.256 -19.037 28.526 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.405 -18.598 28.344 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -3.890 -18.598 27.915 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 1.069 -15.341 26.119 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 0.252 -15.852 25.928 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 1.338 -15.650 27.006 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -0.836 -12.445 27.084 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -0.180 -12.535 27.793 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -1.650 -12.837 27.458 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.872 -14.244 19.971 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -4.279 -14.348 19.088 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -2.986 -14.627 19.867 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -1.283 -16.668 25.690 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -1.261 -16.953 24.751 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.095 -16.121 25.753 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -3.437 -17.351 20.546 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.191 -17.394 19.920 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -3.856 -17.176 21.417 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -0.630 -21.513 30.098 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -0.813 -22.460 29.982 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -1.498 -21.137 30.354 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -4.591 -11.617 28.719 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -3.946 -12.225 28.319 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -4.807 -12.033 29.579 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -1.532 -19.760 36.291 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -1.275 -19.992 37.207 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -2.492 -19.603 36.342 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 2.104 -19.207 19.682 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 1.877 -19.988 19.153 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 2.996 -18.951 19.359 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -12.211 -18.960 21.990 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -11.456 -18.372 22.231 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -12.318 -18.828 21.023 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -4.399 -19.524 36.479 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -4.191 -19.525 37.442 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -4.798 -20.389 36.321 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.406 -19.591 39.028 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -2.443 -19.782 38.994 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -3.598 -19.518 39.967 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -5.092 -17.261 34.953 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -4.726 -18.093 35.318 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -5.613 -16.899 35.672 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -0.790 -20.427 38.877 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 0.143 -20.334 39.149 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -1.043 -21.324 39.187 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 10.731 -42.867 11.429 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 11.300 -42.471 12.123 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 10.845 -43.815 11.541 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 14.910 -42.016 12.852 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 13.971 -42.266 12.957 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 14.873 -41.077 12.584 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 15.094 -41.948 15.610 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 15.718 -42.684 15.784 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 15.105 -41.856 14.635 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 12.217 -41.735 13.445 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 12.575 -40.852 13.204 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 11.910 -41.624 14.374 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 3.347 -42.125 15.509 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 2.695 -41.752 16.156 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 3.979 -41.382 15.346 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 1.338 -41.502 17.129 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 0.624 -42.160 17.021 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 0.951 -40.819 17.705 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -0.498 -43.504 13.818 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -1.473 -43.649 13.852 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.180 -44.199 13.233 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 3.631 -44.271 17.105 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 3.556 -43.506 16.486 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 3.237 -45.003 16.622 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 5.269 -36.622 8.036 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 4.358 -36.843 7.735 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 5.797 -37.388 7.773 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -0.383 -43.632 16.580 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -0.224 -44.594 16.546 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -0.494 -43.377 15.641 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 2.891 -43.221 19.564 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 3.148 -43.560 18.680 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 3.746 -43.005 19.996 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 7.897 -46.215 17.143 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 7.271 -45.475 17.282 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 7.979 -46.627 18.020 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -0.026 -46.456 16.155 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 0.353 -47.306 15.906 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -0.055 -46.486 17.145 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 10.619 -45.307 19.819 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 10.774 -44.407 20.204 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 10.917 -45.216 18.896 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 15.458 -42.579 20.109 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 14.938 -42.974 19.386 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 15.346 -41.604 19.977 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 11.344 -41.474 16.042 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 11.339 -42.327 16.528 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 10.513 -41.036 16.325 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 10.319 -45.629 16.026 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 9.410 -45.870 16.317 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 10.549 -44.854 16.574 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -0.035 -39.323 13.945 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 0.522 -40.131 13.924 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 0.328 -38.769 13.241 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 13.644 -39.561 12.578 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 13.162 -39.629 11.717 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 13.940 -38.625 12.609 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 0.789 -41.683 20.374 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 1.637 -42.079 20.069 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 0.757 -40.806 19.924 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 6.243 -44.126 17.829 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 5.304 -44.175 17.544 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 6.407 -43.164 17.951 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 14.197 -43.453 17.732 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 14.405 -42.874 16.974 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 14.764 -44.232 17.593 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 0.913 -44.684 20.686 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 1.647 -44.159 20.288 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 0.365 -44.022 21.136 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 8.547 -47.067 19.726 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 8.948 -47.932 19.879 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 9.300 -46.436 19.801 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 14.189 -47.151 19.834 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 14.312 -46.956 18.880 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 14.976 -46.752 20.263 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 12.521 -47.105 15.526 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 11.729 -46.543 15.709 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 12.217 -47.730 14.864 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 0.501 -38.807 7.619 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 0.333 -38.692 8.577 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -0.184 -39.415 7.332 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 2.625 -37.097 7.554 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 1.916 -37.741 7.326 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 2.680 -37.142 8.539 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 14.506 -36.999 12.293 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 15.278 -37.213 11.714 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 14.806 -36.227 12.816 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 19.431 -40.465 13.667 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 18.980 -39.609 13.787 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 19.771 -40.425 12.744 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 11.493 -43.703 17.657 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 12.475 -43.764 17.673 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 11.277 -43.163 18.458 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 14.620 -46.549 17.171 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 15.065 -45.918 16.574 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 13.844 -46.865 16.649 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 2.277 -39.533 11.852 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 3.119 -39.218 12.261 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 2.082 -40.373 12.323 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 1.513 -41.552 13.576 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 0.801 -42.223 13.626 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 2.188 -41.870 14.217 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 4.991 -40.077 14.850 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 4.753 -39.402 14.175 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 5.956 -40.096 14.835 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 9.151 -39.058 11.314 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 8.347 -38.570 11.602 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 9.742 -38.358 10.959 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 9.316 -40.286 13.777 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 9.566 -41.209 13.667 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 9.239 -39.947 12.859 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 2.938 -37.251 10.223 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 2.913 -38.170 10.538 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 3.213 -36.737 11.013 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 7.933 -40.255 7.704 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 8.618 -40.468 8.368 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 8.028 -40.940 7.042 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 9.827 -41.044 9.587 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 9.500 -40.369 10.222 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 10.101 -41.797 10.157 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 10.762 -42.120 25.036 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 9.974 -41.962 24.472 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 11.002 -43.033 24.855 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 2.589 -46.734 30.578 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.951 -47.458 30.415 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 2.056 -46.036 31.000 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 4.201 -50.312 28.956 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 4.329 -50.993 29.643 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 4.577 -49.503 29.351 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.631 -48.342 29.652 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 11.393 -48.194 29.051 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 10.967 -49.007 30.300 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 6.063 -48.225 32.172 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 5.587 -48.066 31.326 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 6.978 -47.917 31.989 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 20.243 -50.982 26.079 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 20.245 -50.701 27.017 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 19.548 -50.437 25.667 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 8.722 -41.541 23.276 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 8.833 -40.641 22.905 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 8.607 -42.115 22.478 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 0.363 -42.405 22.958 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 0.443 -42.054 22.048 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 0.995 -41.867 23.478 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 8.493 -42.988 21.060 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 8.105 -43.773 20.646 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 9.383 -42.906 20.645 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.801 -47.430 21.036 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 11.328 -46.627 20.730 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 12.633 -47.431 20.502 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 17.111 -47.678 35.557 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 17.619 -47.777 34.723 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 16.187 -47.541 35.256 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 13.856 -44.110 27.488 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 14.079 -43.491 26.766 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 14.689 -44.609 27.633 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 12.456 -45.361 29.446 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 12.923 -44.748 28.828 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 12.563 -46.243 29.026 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 5.816 -43.986 26.972 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.007 -44.262 26.505 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 6.210 -43.301 26.380 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 13.496 -48.512 22.888 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 12.906 -48.053 22.255 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 14.321 -48.626 22.401 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 -0.380 -47.136 32.522 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 0.338 -47.783 32.687 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 -0.764 -46.979 33.413 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.678 -42.058 23.231 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 4.375 -42.896 23.653 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 4.912 -42.324 22.311 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 0.159 -45.236 28.903 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 0.394 -44.950 29.811 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.437 -46.005 29.045 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 16.837 -51.559 33.462 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 16.501 -52.172 32.796 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 16.683 -50.669 33.069 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 14.553 -50.130 30.791 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 15.189 -49.760 31.436 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 14.826 -49.740 29.936 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 16.493 -46.178 21.000 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 16.696 -45.219 20.986 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 17.326 -46.601 20.693 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 4.944 -47.738 29.740 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 5.036 -47.492 28.799 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 4.112 -47.287 30.028 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 2.798 -48.398 27.648 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 3.060 -49.247 28.071 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 3.612 -48.101 27.202 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 10.502 -48.935 23.004 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 10.786 -48.322 22.297 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 11.252 -49.532 23.111 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 12.832 -49.090 33.907 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.571 -49.661 34.213 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 12.154 -49.186 34.615 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 10.094 -48.554 25.693 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 11.031 -48.287 25.771 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.979 -48.731 24.736 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 2.170 -50.343 31.650 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 1.955 -49.803 32.437 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 1.687 -49.902 30.921 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 8.594 -47.474 31.409 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 9.282 -47.864 30.842 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 8.974 -47.526 32.317 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 5.402 -47.535 27.002 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 6.225 -48.065 27.070 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 5.401 -47.211 26.077 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 1.665 -48.633 33.757 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 2.628 -48.488 33.893 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 1.299 -48.664 34.667 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 7.982 -48.522 27.420 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 8.729 -48.549 26.770 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 8.164 -49.262 28.016 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 9.539 -48.025 33.881 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 9.519 -48.992 33.705 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 9.363 -47.953 34.842 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 9.319 -40.558 17.777 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 8.829 -39.886 18.277 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 10.114 -40.746 18.333 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 4.155 -44.085 29.285 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 4.842 -43.915 28.619 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 3.586 -44.773 28.867 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -2.396 -44.315 34.617 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -2.177 -45.247 34.434 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -2.158 -44.198 35.558 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 6.844 -50.883 32.114 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.556 -49.956 32.228 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 6.040 -51.344 31.805 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 6.762 -42.179 25.126 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 7.549 -41.956 24.584 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 6.008 -42.016 24.526 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 -0.160 -46.379 18.836 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 0.341 -45.846 19.494 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 -1.016 -46.522 19.253 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.771 -41.512 18.531 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 7.645 -41.478 18.095 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.649 -40.609 18.882 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 3.864 -44.341 24.539 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 3.041 -44.687 24.118 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 4.446 -45.123 24.591 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 11.885 -49.935 31.420 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.018 -49.650 32.348 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 12.790 -50.163 31.112 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 22.811 -51.147 25.252 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 23.028 -52.081 25.214 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 21.864 -51.131 25.533 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 12.846 -47.781 28.160 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 12.738 -47.906 27.192 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 13.721 -48.189 28.356 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 5.352 -42.770 20.689 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 5.876 -42.209 20.079 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 5.861 -43.609 20.738 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 2.341 -40.953 24.167 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 2.501 -40.017 24.394 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 3.201 -41.264 23.808 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 2.265 -43.807 35.026 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 1.486 -43.503 34.521 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 2.178 -43.347 35.894 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 6.721 -45.115 20.301 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 7.280 -45.916 20.218 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 6.523 -44.864 19.372 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 9.432 -50.622 33.087 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 10.002 -50.794 32.324 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 8.525 -50.815 32.760 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 -0.969 -46.642 35.117 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -0.397 -47.354 35.467 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -0.967 -45.965 35.831 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.436 -46.646 24.357 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 6.290 -46.547 23.914 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.851 -47.001 23.671 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 4.352 -51.880 31.251 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 3.596 -51.275 31.459 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 4.015 -52.756 31.459 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 11.486 -49.616 36.206 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 10.536 -49.509 36.035 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 11.627 -49.143 37.047 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.491 -46.513 17.400 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 18.013 -46.725 18.185 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 16.600 -46.839 17.608 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 0.762 -44.859 31.557 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 0.796 -44.166 32.236 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 0.285 -45.601 31.993 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 13.911 -46.744 39.221 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 14.688 -46.156 39.352 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 14.238 -47.440 38.643 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 16.293 -45.318 27.637 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 17.149 -44.847 27.689 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 16.217 -45.770 28.506 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 17.630 -46.781 23.569 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 17.041 -46.698 22.798 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 18.335 -46.124 23.401 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 12.785 -47.807 25.446 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 13.313 -47.001 25.490 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 13.018 -48.197 24.573 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 2.578 -45.602 27.632 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 1.679 -45.400 27.963 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 2.610 -46.579 27.623 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 16.290 -49.027 32.616 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 15.701 -48.503 33.198 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 17.172 -48.608 32.730 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 15.369 -48.670 28.637 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 16.213 -48.954 28.220 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 15.609 -47.853 29.127 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 13.691 -46.522 31.676 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 13.225 -45.982 31.002 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 13.073 -47.244 31.870 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 4.255 -45.608 35.254 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 3.487 -45.010 35.070 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 5.000 -45.005 35.355 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 14.425 -39.729 42.874 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 15.380 -39.912 42.978 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 14.110 -40.447 42.287 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 3.734 -44.440 40.375 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 4.310 -45.241 40.456 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 3.037 -44.714 39.743 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 14.190 -36.994 43.459 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 14.122 -37.964 43.342 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 14.779 -36.712 42.755 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 12.137 -42.469 37.589 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.511 -42.270 36.714 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 11.164 -42.434 37.450 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 -0.691 -45.122 39.793 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 -1.661 -44.950 39.895 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 -0.303 -44.755 40.600 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 17.036 -40.519 42.481 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 17.187 -40.157 41.578 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 17.016 -41.484 42.347 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 12.075 -43.414 40.096 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 12.198 -43.160 39.152 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 12.722 -42.860 40.579 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 7.256 -48.264 39.844 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 7.333 -48.975 39.178 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 8.175 -48.100 40.128 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 11.222 -47.978 38.448 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 10.733 -48.117 39.288 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 11.861 -47.278 38.662 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 11.775 -46.019 40.791 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 12.629 -46.269 40.386 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 11.721 -45.046 40.650 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 9.425 -40.695 45.573 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 9.643 -41.223 44.764 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 10.261 -40.660 46.060 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 9.821 -47.849 40.848 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 10.486 -47.115 40.881 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 9.496 -47.910 41.753 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 10.352 -41.930 43.410 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 11.209 -41.537 43.668 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 10.307 -41.799 42.437 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 14.935 -50.370 35.129 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 14.899 -50.657 36.046 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.644 -50.912 34.735 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 7.385 -50.065 37.746 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 7.460 -50.976 37.444 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 6.509 -49.765 37.393 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 4.992 -46.824 40.358 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 5.871 -47.248 40.236 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 4.357 -47.563 40.261 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 9.408 -42.368 37.341 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 9.195 -41.646 36.703 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 8.704 -43.010 37.214 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 14.790 -47.187 34.121 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 14.001 -47.750 34.272 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 14.550 -46.653 33.336 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 -0.751 -47.584 38.449 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 -1.691 -47.772 38.524 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 -0.620 -46.788 39.000 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 3.164 -47.003 37.362 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 3.598 -46.534 36.614 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 2.710 -46.282 37.863 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 18.773 -39.949 44.537 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 18.025 -40.046 43.910 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 18.359 -39.665 45.361 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 3.703 -41.919 39.310 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 3.775 -42.820 39.687 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 3.060 -42.020 38.572 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 4.354 -48.184 34.312 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 4.985 -48.259 33.558 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 4.369 -47.230 34.544 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.037 -49.112 36.837 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 4.781 -48.972 35.901 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 4.622 -48.371 37.307 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 1.798 -44.970 38.531 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 1.770 -44.099 38.051 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 0.896 -45.073 38.885 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 -1.129 -40.242 40.358 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 -1.866 -40.352 40.985 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 -1.191 -41.022 39.782 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 4.126 -42.641 42.359 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 4.010 -43.417 41.766 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 3.281 -42.577 42.836 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 23.115 -37.503 47.295 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 22.851 -37.021 48.109 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 22.631 -38.354 47.360 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.099 -48.235 36.592 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 9.729 -47.973 37.291 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 8.444 -48.795 37.056 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 18.536 -46.569 39.341 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 18.975 -45.723 39.577 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 17.588 -46.399 39.511 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 14.121 -42.041 41.321 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 14.600 -42.734 41.796 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 14.686 -41.854 40.536 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 16.185 -45.181 39.551 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 16.267 -44.591 40.326 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 16.350 -44.587 38.780 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 12.420 -40.475 44.693 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 13.106 -40.252 44.039 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 12.615 -39.881 45.451 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 0.456 -36.207 48.642 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 1.426 -36.144 48.511 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 0.336 -36.066 49.584 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 9.565 -37.888 45.108 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 9.618 -38.861 45.128 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 8.619 -37.698 45.274 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 13.202 -38.577 46.547 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 12.956 -37.658 46.348 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 14.040 -38.495 47.050 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 15.634 -38.123 47.855 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 16.517 -38.514 47.833 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 15.734 -37.342 48.437 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 1.116 -41.487 46.203 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 0.210 -41.792 46.118 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 1.476 -41.547 45.294 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 4.520 -40.013 44.137 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 5.305 -40.404 44.574 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 4.376 -39.174 44.622 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 6.722 -40.645 45.700 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 6.461 -41.352 46.301 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 7.703 -40.742 45.623 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 14.975 -22.467 -12.967 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 15.913 -22.308 -13.131 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 14.820 -22.074 -12.081 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 13.231 -25.011 -11.181 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 13.346 -24.896 -12.149 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 12.819 -25.877 -11.094 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 9.129 -23.854 0.026 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 8.543 -24.492 0.443 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.024 -24.162 0.260 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 9.772 -22.349 -12.470 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 8.942 -22.203 -12.934 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.158 -23.141 -12.913 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 12.716 -22.717 -9.756 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.398 -23.102 -8.905 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.926 -23.504 -10.307 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 13.482 -24.537 -13.883 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 14.039 -24.876 -14.592 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 13.948 -23.715 -13.585 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 13.843 -25.583 -6.733 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 14.189 -26.416 -6.365 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 14.351 -25.457 -7.561 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 16.219 -26.458 -3.826 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.769 -26.914 -4.580 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 16.715 -27.161 -3.392 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 10.720 -24.555 -13.752 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 11.699 -24.564 -13.818 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.432 -25.168 -14.437 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 14.961 -24.989 -1.853 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 15.301 -25.422 -2.665 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 15.582 -25.277 -1.153 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 5.071 -20.599 -3.767 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 4.408 -21.099 -4.255 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.829 -19.653 -3.936 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 15.000 -21.365 -10.463 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 14.226 -21.795 -10.042 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 15.022 -20.463 -10.061 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 16.607 -27.147 -8.002 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 17.397 -26.610 -7.816 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 16.050 -26.567 -8.560 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 10.343 -22.936 -5.648 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 9.382 -22.901 -5.826 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.470 -22.320 -4.906 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 12.493 -23.840 -1.649 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 13.202 -24.484 -1.859 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 12.040 -24.228 -0.874 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 18.792 -21.804 -4.147 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 19.708 -21.870 -4.484 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 18.383 -22.661 -4.396 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 11.276 -20.695 -10.951 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 10.724 -21.247 -11.559 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 11.851 -21.352 -10.493 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 15.113 -25.185 -9.169 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 14.498 -25.071 -9.920 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 15.923 -24.693 -9.444 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 9.557 -23.404 -9.441 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 10.018 -23.405 -10.289 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 10.198 -23.804 -8.818 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.684 -24.108 -7.669 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 11.223 -23.742 -6.877 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 12.361 -24.717 -7.290 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 8.268 -16.896 -0.054 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 8.115 -17.347 0.807 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 7.457 -17.094 -0.572 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 8.138 -21.496 -0.978 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 8.178 -21.536 -1.956 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 8.506 -22.364 -0.687 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 15.214 -27.987 -5.848 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 15.744 -27.840 -6.666 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 15.062 -28.957 -5.834 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 15.046 -24.828 2.244 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 14.152 -25.011 2.595 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 15.462 -24.262 2.934 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 17.542 -24.099 -9.574 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 17.893 -24.509 -8.757 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 18.142 -23.350 -9.743 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 16.611 -25.662 0.249 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 16.014 -25.390 0.997 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 16.982 -26.502 0.539 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 15.232 -18.892 -9.406 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 14.665 -18.137 -9.643 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 15.896 -18.513 -8.798 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 11.419 -19.675 -1.028 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.843 -19.040 -1.515 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.889 -19.915 -0.236 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.452 -20.646 -3.995 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 9.516 -20.684 -3.715 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 10.417 -20.245 -4.898 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 5.733 -23.925 -7.460 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 4.844 -24.196 -7.207 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 6.074 -24.669 -7.970 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 17.882 -18.775 -12.949 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 17.047 -18.684 -13.418 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 17.794 -19.632 -12.463 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 13.263 -26.554 5.883 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 12.865 -27.415 6.051 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 14.109 -26.578 6.395 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 14.246 -29.123 12.828 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 14.570 -29.665 12.087 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 14.973 -29.148 13.482 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 15.449 -26.809 7.489 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 16.387 -26.708 7.307 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 15.419 -27.147 8.412 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 -0.255 -28.445 5.798 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 -0.037 -28.874 4.966 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 0.492 -28.675 6.390 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 1.672 -29.259 7.589 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 1.487 -30.213 7.452 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 2.613 -29.239 7.883 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 13.041 -27.101 11.387 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 12.074 -27.141 11.568 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 13.426 -27.749 12.021 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 10.315 -35.341 13.102 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 9.465 -34.884 13.043 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 10.091 -36.203 13.518 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 4.931 -33.791 13.559 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 4.529 -34.618 13.205 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.231 -33.136 13.481 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 13.832 -32.021 8.270 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 13.805 -32.347 7.353 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 12.888 -31.872 8.503 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 5.739 -30.096 13.230 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 6.567 -30.540 13.522 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 5.127 -30.213 13.978 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 8.771 -30.195 10.172 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 9.532 -30.056 9.594 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 8.789 -31.155 10.361 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 10.753 -23.663 4.659 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 9.792 -23.880 4.728 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 11.071 -23.712 5.577 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 12.475 -35.237 11.395 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 11.735 -35.194 12.046 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 13.093 -35.892 11.777 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 -1.554 -27.281 7.890 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 -1.208 -27.649 7.044 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 -2.505 -27.112 7.706 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 13.403 -24.784 9.734 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.358 -24.723 9.976 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 13.107 -25.619 10.159 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 7.016 -37.708 12.339 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 6.780 -37.014 11.693 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 6.143 -38.057 12.637 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 12.575 -24.148 6.981 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 12.647 -24.377 7.927 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 12.835 -24.975 6.517 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 6.055 -29.788 10.516 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 5.985 -29.968 11.477 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 7.013 -29.863 10.329 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 0.092 -28.795 11.680 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 -0.718 -28.430 11.254 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 0.507 -29.319 10.986 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.666 -20.458 10.915 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 11.446 -19.998 11.287 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.995 -21.361 10.722 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 4.216 -29.552 8.497 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 4.402 -30.222 7.805 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 4.930 -29.686 9.157 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 15.976 -23.188 4.202 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 15.200 -22.788 4.649 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 16.716 -22.602 4.440 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 6.280 -22.328 4.896 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 5.388 -22.035 5.102 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.854 -21.612 5.242 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 16.265 -18.923 2.821 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 16.840 -18.986 3.612 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 16.843 -19.206 2.084 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 4.319 -31.490 6.562 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 4.366 -31.440 5.600 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 4.519 -32.436 6.766 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 11.476 -31.508 9.586 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 11.832 -31.155 10.409 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 10.751 -32.103 9.874 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 1.644 -31.943 7.024 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 1.538 -32.849 7.388 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 2.614 -31.808 7.001 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 7.460 -34.060 12.447 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 7.156 -34.579 11.682 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 6.644 -33.932 12.986 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 1.633 -31.451 4.293 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.518 -31.564 5.255 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 1.359 -32.291 3.922 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 9.268 -32.884 10.538 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 8.736 -33.421 9.902 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 8.939 -33.166 11.408 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 10.394 -27.415 12.069 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 9.828 -26.716 12.411 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 9.784 -28.138 11.865 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 7.752 -34.635 9.199 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 8.188 -35.234 8.573 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.958 -35.126 9.491 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 18.518 -27.088 13.874 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 18.688 -26.195 14.265 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 17.605 -27.283 14.117 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 8.120 -24.328 5.175 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 7.470 -23.619 4.962 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 7.606 -24.979 5.660 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 11.778 -21.248 3.738 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 11.448 -22.173 3.759 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 12.390 -21.225 2.962 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 15.433 -27.808 10.036 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 14.651 -27.459 10.507 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 15.354 -28.778 10.131 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 2.925 -22.129 8.096 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 2.139 -22.426 7.628 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 2.632 -22.037 9.027 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 3.744 -28.347 11.553 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 4.054 -28.646 10.680 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 4.337 -28.794 12.177 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 7.785 -20.373 6.072 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 7.838 -20.481 7.030 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 7.578 -19.412 5.949 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 11.641 -25.113 0.687 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 11.664 -26.066 0.543 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 12.004 -25.000 1.592 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 18.046 -21.475 4.944 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 17.917 -20.502 4.993 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 18.484 -21.697 5.775 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 12.568 -25.280 3.383 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 12.879 -25.797 4.154 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 11.872 -24.697 3.753 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 5.607 -20.440 -1.093 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 5.389 -20.662 -2.024 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 6.489 -20.854 -0.948 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 9.640 -20.190 0.986 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 9.272 -20.521 1.821 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 9.023 -20.529 0.299 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 9.305 -20.123 3.782 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 8.818 -20.317 4.613 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 10.176 -20.566 3.905 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 14.624 -33.477 10.522 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 13.880 -34.033 10.836 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 14.328 -33.156 9.648 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 -4.255 -27.118 7.908 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 -4.507 -27.141 8.856 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 -5.036 -27.434 7.449 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 7.726 -21.348 -3.753 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 7.772 -21.762 -4.641 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 6.819 -20.975 -3.715 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 13.694 -20.862 1.816 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 13.993 -21.519 1.151 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 14.502 -20.394 2.066 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 9.145 -37.546 14.219 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 9.328 -38.502 14.306 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 8.327 -37.510 13.686 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 -0.763 -19.690 9.671 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 -1.640 -19.392 9.994 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 -0.522 -20.414 10.280 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 11.859 -22.906 10.931 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 12.305 -23.672 10.516 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 11.444 -23.280 11.742 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 14.855 -30.579 10.433 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 15.081 -31.429 10.845 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 14.512 -30.831 9.552 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 0.960 -27.040 8.985 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 1.279 -27.799 8.454 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 0.055 -26.877 8.645 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 0.067 -35.439 10.024 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 0.410 -35.390 10.944 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 -0.901 -35.391 10.130 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 -0.309 -21.801 11.531 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 -0.467 -21.743 12.501 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 -0.945 -22.474 11.231 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 2.334 -21.695 10.709 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 1.415 -21.675 11.062 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 2.733 -20.861 11.032 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.427 -19.373 8.482 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 3.387 -19.329 9.453 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 3.342 -20.324 8.281 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 3.271 -24.273 10.394 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 2.951 -23.373 10.619 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 3.679 -24.167 9.526 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 4.107 -21.177 16.149 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 3.622 -21.472 16.939 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 4.946 -20.832 16.499 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 10.947 -37.267 10.147 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 11.504 -36.587 10.574 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 10.619 -36.826 9.335 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 10.377 -35.418 8.192 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 11.128 -35.236 7.584 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 10.339 -34.638 8.757 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.713 -34.807 6.861 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.248 -34.167 6.352 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.273 -35.587 6.925 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 4.380 -34.104 7.161 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 3.478 -34.285 7.488 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 4.894 -34.887 7.434 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 5.789 -35.885 10.674 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 5.378 -36.208 9.841 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 5.057 -35.921 11.333 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 12.231 -39.708 10.298 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 11.843 -38.817 10.171 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 11.582 -40.308 9.892 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 4.178 -19.579 1.066 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 3.686 -20.327 1.412 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 4.673 -19.948 0.300 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 15.638 -27.433 33.656 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 15.474 -28.408 33.742 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 15.865 -27.319 32.719 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 14.165 -25.740 38.217 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 14.642 -26.516 38.572 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 14.372 -25.754 37.253 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.399 -26.953 41.596 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 13.815 -26.092 41.375 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 12.562 -26.713 41.999 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 13.138 -31.877 48.480 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 12.807 -31.459 47.665 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 14.019 -31.476 48.609 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 17.267 -26.904 41.345 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 16.639 -27.190 40.647 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 17.267 -27.653 41.986 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 0.025 -35.686 39.297 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 0.417 -35.601 38.403 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 0.777 -35.927 39.869 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 17.895 -36.067 46.989 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 17.487 -35.945 47.871 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 18.387 -35.233 46.834 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 10.485 -36.190 47.049 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 10.223 -36.883 46.406 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 11.333 -35.852 46.696 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 5.731 -36.110 41.306 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 5.071 -35.408 41.471 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 6.494 -35.853 41.863 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 -1.433 -34.743 43.040 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 -0.906 -33.939 42.867 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 -0.910 -35.457 42.636 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 9.140 -33.841 45.057 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 9.851 -33.634 45.698 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 8.319 -33.641 45.538 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 16.523 -35.938 52.104 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 15.792 -35.285 52.241 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 16.610 -36.371 52.956 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.201 -36.245 48.270 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 4.065 -36.042 48.703 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 3.304 -37.155 47.950 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 11.834 -24.226 41.289 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 12.787 -24.211 41.034 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 11.845 -24.047 42.258 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 4.042 -34.490 46.221 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 3.686 -35.034 46.951 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.482 -34.710 45.467 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 0.360 -27.892 38.519 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 -0.181 -28.257 37.799 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 1.284 -28.049 38.227 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 22.526 -34.396 46.523 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 22.833 -35.170 46.008 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 23.221 -34.266 47.196 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 4.204 -37.778 45.670 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 3.814 -37.142 45.029 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 3.420 -38.185 46.113 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 14.429 -24.585 40.664 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 14.419 -24.826 39.708 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 15.327 -24.219 40.809 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 15.596 -30.772 47.999 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 15.517 -31.069 47.059 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 15.814 -29.822 47.928 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 12.757 -33.513 50.704 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 12.964 -32.892 49.976 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 11.939 -33.962 50.406 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.362 -32.922 43.610 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.441 -33.032 44.582 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.960 -33.613 43.245 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 6.065 -24.370 39.030 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 5.489 -23.765 38.542 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 6.310 -23.866 39.835 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 4.208 -34.068 42.305 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 4.935 -33.633 42.802 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 3.696 -33.315 41.927 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 14.622 -25.781 35.556 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 15.199 -25.030 35.371 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 14.847 -26.433 34.857 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 6.388 -22.593 41.150 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 5.770 -22.066 40.582 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 5.932 -22.658 41.995 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 9.308 -20.730 38.336 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 10.022 -21.150 38.849 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 8.638 -20.512 39.005 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 10.763 -21.763 40.523 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 11.106 -22.654 40.725 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 11.569 -21.195 40.497 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 2.090 -38.962 46.832 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 1.241 -38.473 46.735 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 1.824 -39.907 46.796 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 6.922 -37.853 45.928 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 5.982 -37.588 45.826 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 6.891 -38.830 45.928 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 14.469 -34.267 52.678 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 14.011 -33.846 53.410 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 13.910 -34.054 51.891 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 3.286 -36.279 43.574 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 3.384 -36.979 42.896 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 3.675 -35.480 43.149 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 2.089 -41.173 43.655 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 2.971 -40.793 43.866 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 1.518 -40.388 43.521 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 10.608 -34.501 49.297 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 10.631 -35.288 48.719 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 10.215 -33.816 48.743 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.889 -35.047 42.819 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 8.567 -34.908 43.519 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 8.415 -35.177 42.001 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 1.001 -35.774 42.024 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 1.608 -35.984 42.758 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 0.952 -34.794 42.025 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 11.082 -32.966 46.810 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 11.475 -32.223 46.307 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.712 -33.117 47.534 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 6.625 -33.576 46.292 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 5.661 -33.781 46.291 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 7.016 -34.286 46.840 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 12.622 -30.852 45.899 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 13.534 -31.152 45.661 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 12.595 -29.933 45.609 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 12.927 -20.125 40.326 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 13.409 -20.052 39.471 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 13.036 -19.260 40.730 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 15.378 -34.922 46.380 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 15.931 -34.231 45.963 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 15.961 -35.701 46.415 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 5.004 -30.627 43.020 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 5.557 -31.431 43.152 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 5.255 -30.049 43.742 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 15.730 -21.806 37.259 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 16.253 -21.369 36.542 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 15.257 -21.066 37.693 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 15.187 -27.881 39.767 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 14.547 -27.625 40.471 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 15.025 -28.838 39.638 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 1.763 -29.990 39.899 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 1.006 -29.389 39.903 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 2.313 -29.670 39.157 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 2.990 -31.757 41.528 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 2.606 -31.127 40.870 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 3.663 -31.221 42.008 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 7.760 -35.769 47.511 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 8.739 -35.798 47.450 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 7.465 -36.514 46.944 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 7.959 -26.318 38.566 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 8.691 -26.157 39.195 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 7.350 -25.558 38.709 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 5.653 -35.584 49.231 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 5.988 -35.043 49.950 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 6.423 -35.689 48.630 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 12.889 -35.872 45.613 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 13.223 -36.284 44.782 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 13.683 -35.434 45.993 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 10.187 -26.014 40.119 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 10.774 -25.285 40.436 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 9.829 -26.394 40.929 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 19.350 -36.507 49.998 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 19.181 -35.596 49.674 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 18.629 -36.671 50.621 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 5.272 -27.086 38.164 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 6.228 -27.251 38.236 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 5.161 -26.191 38.520 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 2.881 -38.279 41.671 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 2.569 -37.920 40.811 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 2.059 -38.394 42.195 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 13.333 -22.758 36.371 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 14.245 -22.586 36.688 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 12.870 -21.922 36.522 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 2.945 -28.517 37.860 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 3.042 -28.761 36.932 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 3.780 -28.041 38.072 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 17.426 -27.235 35.817 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 17.119 -27.998 36.338 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 16.864 -27.253 35.014 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 4.634 -21.367 39.510 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 3.671 -21.267 39.534 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 4.935 -20.616 38.942 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 -1.168 -26.155 35.730 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 -1.680 -26.823 36.244 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 -1.079 -26.553 34.842 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 17.559 -29.069 42.986 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 17.792 -29.293 43.902 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 18.169 -29.616 42.444 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 14.877 -28.873 44.479 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 15.423 -28.785 43.685 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 15.005 -29.811 44.758 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 12.022 -23.836 43.966 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 12.742 -24.163 44.518 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 11.580 -23.178 44.515 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 16.085 -29.658 36.626 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 15.691 -29.819 35.733 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 15.328 -29.426 37.178 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 16.143 -33.383 48.615 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 16.018 -32.411 48.561 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 15.600 -33.732 47.881 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 -0.124 -37.501 46.282 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 -0.985 -37.239 45.884 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 -0.076 -36.975 47.113 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 10.715 -35.921 43.473 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 11.236 -35.510 44.173 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.303 -36.693 43.906 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 16.426 -35.966 49.386 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 16.168 -35.036 49.209 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 16.388 -36.040 50.367 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 1.002 -23.000 40.371 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 1.147 -23.969 40.300 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 0.032 -22.905 40.300 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 10.107 -20.817 35.734 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 9.296 -20.884 35.195 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.776 -20.812 36.660 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 17.092 -24.129 41.131 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 17.198 -25.107 41.153 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 17.559 -23.824 41.916 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 1.864 -20.467 40.071 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 1.624 -21.422 40.168 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 2.060 -20.181 40.972 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 11.682 -14.649 -9.619 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 11.936 -13.719 -9.407 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 10.979 -14.555 -10.303 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 4.960 -8.445 -8.502 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 5.251 -8.455 -9.442 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 4.184 -7.871 -8.504 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 12.269 -9.551 -7.807 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 11.559 -8.887 -7.730 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 13.061 -9.087 -7.500 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 6.785 -18.494 -6.375 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 7.162 -18.870 -7.178 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 5.868 -18.268 -6.622 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 13.364 -16.863 -10.121 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 12.739 -16.114 -10.019 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 13.028 -17.351 -10.912 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 5.589 -15.301 -7.686 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 5.319 -14.370 -7.834 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 6.309 -15.447 -8.341 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 4.197 -18.122 -4.329 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 4.134 -17.887 -5.278 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 4.230 -17.271 -3.876 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 8.158 -7.047 -10.258 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 7.317 -7.432 -10.586 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 8.537 -6.617 -11.031 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 8.409 -11.140 -3.639 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 7.842 -11.895 -3.373 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 7.864 -10.643 -4.280 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 11.935 -19.025 -8.754 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 12.551 -18.350 -9.076 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 11.753 -19.575 -9.536 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 4.233 -17.531 -7.031 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 4.668 -16.682 -7.288 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 3.431 -17.556 -7.565 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.254 -10.473 -6.713 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 3.834 -9.920 -6.045 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 4.611 -9.832 -7.365 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 11.776 -5.256 -6.775 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 11.327 -6.071 -7.088 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 11.199 -4.543 -7.065 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 7.743 -22.385 -6.324 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 7.026 -23.025 -6.514 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 7.802 -21.853 -7.140 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 12.553 -12.142 -8.786 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 12.332 -11.222 -8.518 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 13.338 -12.038 -9.373 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 13.120 -14.971 -7.067 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 12.497 -14.896 -7.810 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 13.885 -15.449 -7.445 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 5.070 -12.434 -11.008 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 5.166 -12.430 -10.032 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 4.565 -13.230 -11.190 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 5.715 -8.036 -11.134 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 5.743 -8.898 -11.626 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 5.202 -7.456 -11.710 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.218 -12.581 -8.262 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 6.108 -12.301 -7.960 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 4.608 -11.994 -7.769 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 10.340 -7.404 -7.822 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 10.192 -7.367 -8.779 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 9.450 -7.586 -7.454 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 7.024 -9.476 -5.314 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 7.160 -8.591 -5.692 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 6.422 -9.325 -4.551 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 7.286 -8.489 -1.098 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 6.726 -8.939 -1.758 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 6.751 -7.718 -0.819 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 5.389 -6.524 -0.554 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 4.648 -6.983 -0.991 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 5.445 -5.651 -1.018 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 11.134 -7.178 -2.786 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 10.802 -7.996 -2.351 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 10.625 -7.125 -3.601 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 5.510 -9.618 -2.930 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 5.486 -10.517 -2.538 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 4.802 -9.137 -2.457 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 6.038 -15.204 -4.887 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 5.769 -14.257 -4.869 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 5.940 -15.456 -5.826 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 7.529 -15.636 -9.606 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 8.016 -14.901 -10.020 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 7.550 -16.343 -10.282 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 9.504 -14.664 -11.360 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 9.215 -15.562 -11.634 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.272 -14.101 -12.108 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 9.681 -15.432 -7.842 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 10.364 -15.380 -8.534 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 8.874 -15.696 -8.322 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 5.519 -12.577 -5.240 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 4.863 -11.912 -5.512 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 6.308 -12.360 -5.771 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 8.790 -19.433 -10.603 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 9.702 -19.770 -10.671 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 8.351 -20.057 -9.990 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 2.773 -12.842 -0.727 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 2.593 -12.831 0.219 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 2.742 -13.804 -0.963 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 7.563 -7.767 -7.696 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 6.659 -8.118 -7.804 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 7.782 -7.399 -8.580 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 5.539 -10.281 -12.601 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 5.424 -11.063 -12.011 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.274 -10.600 -13.469 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 7.445 -11.594 -6.989 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 8.294 -11.462 -7.426 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 7.313 -10.769 -6.467 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 8.235 -17.113 -11.872 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 7.813 -17.469 -12.662 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 8.508 -17.917 -11.362 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 7.744 -21.459 -8.993 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 6.921 -21.874 -9.276 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 8.436 -22.144 -9.175 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 14.613 -7.269 -6.588 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 14.362 -6.673 -5.852 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 14.472 -6.736 -7.377 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 13.981 -2.486 -4.557 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 13.901 -2.361 -3.590 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 13.721 -1.619 -4.931 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 7.585 -2.282 -2.028 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 8.473 -2.694 -1.976 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 7.764 -1.357 -2.214 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 2.076 -10.657 -2.224 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 2.364 -11.479 -1.770 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 1.362 -10.944 -2.799 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 0.228 -16.677 -0.073 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 -0.222 -16.651 0.777 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 -0.337 -17.226 -0.626 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 9.680 -9.348 -2.030 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 8.874 -8.974 -1.610 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 9.333 -10.040 -2.634 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 7.061 -13.347 -2.622 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.385 -12.862 -2.100 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 6.569 -14.080 -3.022 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 7.513 -17.417 -3.965 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 7.028 -16.596 -4.194 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 7.391 -17.990 -4.758 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 5.798 -15.396 2.475 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 5.579 -15.962 3.248 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.373 -15.859 1.715 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.671 -17.970 -2.200 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 9.007 -17.892 -2.914 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 9.233 -17.569 -1.424 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 9.469 -14.356 -0.321 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 8.822 -13.884 0.251 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 9.127 -15.274 -0.355 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 2.653 -15.500 -0.763 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 1.812 -15.965 -0.566 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 3.337 -16.046 -0.323 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 6.178 -17.788 -1.574 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 5.952 -18.737 -1.472 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 6.578 -17.732 -2.468 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 18.042 -3.062 -4.219 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 17.900 -2.180 -3.831 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 18.562 -2.892 -5.025 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 14.589 -12.679 -6.735 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 14.130 -13.546 -6.699 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 14.005 -12.128 -7.284 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 13.780 -5.153 -4.946 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 13.028 -5.191 -5.583 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 14.007 -4.192 -4.902 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 15.316 -15.615 -8.543 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 15.732 -14.769 -8.797 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 14.793 -15.874 -9.329 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 14.735 -22.486 -0.150 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.472 -23.381 -0.424 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 15.689 -22.573 0.055 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 20.135 -14.313 -10.948 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 20.515 -14.121 -11.814 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 19.790 -15.230 -11.036 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 3.614 -8.748 -1.065 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 3.507 -9.057 -0.146 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 2.987 -9.308 -1.578 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 12.349 -4.803 -2.475 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.872 -5.669 -2.457 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 12.858 -4.835 -3.310 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 13.599 -2.377 -1.877 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 13.098 -3.216 -1.941 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 14.229 -2.529 -1.131 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 10.921 -1.171 -3.796 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 11.764 -0.790 -4.121 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 10.337 -1.128 -4.556 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 12.567 1.027 -7.572 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 11.759 1.110 -8.088 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 13.270 1.244 -8.194 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 10.522 -19.835 -6.581 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 10.000 -20.478 -7.068 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 11.074 -19.402 -7.272 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 16.959 -17.601 -7.668 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 16.384 -16.812 -7.784 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 16.938 -17.774 -6.716 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.303 -18.414 -12.070 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.225 -18.492 -13.026 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 11.942 -19.260 -11.730 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 4.627 -16.951 0.533 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 5.185 -17.138 -0.253 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 4.356 -17.844 0.850 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 16.737 -8.205 7.644 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.778 -8.070 7.560 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 16.922 -8.004 8.578 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 9.977 -8.352 11.156 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 9.456 -7.714 10.657 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 10.852 -8.361 10.694 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 9.853 -15.294 5.502 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 10.497 -15.590 6.178 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 9.102 -14.976 6.017 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 8.909 -14.193 9.682 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 8.505 -13.330 9.887 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 8.346 -14.829 10.135 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 17.789 -18.525 10.212 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 17.815 -18.878 11.127 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 17.125 -17.808 10.252 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 5.095 -15.823 15.212 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 4.222 -15.551 15.561 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 5.622 -16.024 16.020 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.314 -9.904 5.520 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 8.397 -10.178 5.304 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 9.873 -10.508 4.993 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 8.612 -10.517 12.305 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 8.436 -10.238 13.231 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.174 -9.798 11.943 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 5.146 -16.916 12.541 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 5.042 -16.605 13.461 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.616 -16.184 12.096 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 2.461 -7.697 2.948 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 1.834 -7.013 3.209 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 3.250 -7.196 2.640 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 15.080 -5.494 9.643 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 15.827 -6.079 9.892 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 14.613 -5.340 10.477 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 9.134 -21.047 13.077 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 9.637 -20.732 12.292 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 8.219 -21.065 12.779 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 11.454 -4.089 6.786 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 11.199 -3.657 5.932 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 11.581 -3.352 7.393 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 13.053 -8.404 5.373 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 13.349 -8.658 6.263 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 13.589 -8.970 4.773 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 16.004 -12.260 12.582 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 15.493 -12.625 13.339 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 15.799 -12.870 11.840 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 12.706 -13.762 16.183 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 13.119 -14.017 17.035 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 13.459 -13.497 15.626 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 6.888 -10.724 4.493 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 6.166 -10.073 4.359 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 6.459 -11.588 4.344 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 7.379 -11.978 10.372 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 7.762 -11.449 11.110 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 7.300 -11.349 9.648 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 11.809 -7.675 13.163 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 11.102 -7.904 12.531 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 11.472 -8.006 14.027 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 10.470 -7.492 5.075 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 11.398 -7.805 5.101 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.944 -8.295 5.303 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 15.179 -16.859 4.317 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 15.634 -17.570 3.822 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 15.864 -16.507 4.908 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 7.561 -13.424 1.383 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 6.870 -12.749 1.322 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 7.098 -14.208 1.744 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 9.100 -5.519 6.429 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 9.454 -6.305 5.966 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 9.898 -5.057 6.753 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 16.249 -5.321 4.587 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 16.437 -4.883 5.440 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 15.355 -5.674 4.698 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 3.447 -19.147 11.440 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 4.083 -18.403 11.456 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 3.070 -19.148 12.328 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 6.619 -14.577 11.718 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 7.178 -14.223 12.439 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 6.455 -13.808 11.151 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.348 -13.018 3.769 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 4.900 -13.324 4.588 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.573 -13.851 3.299 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 8.436 -12.281 16.756 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 9.167 -12.784 16.329 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.626 -12.767 16.485 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 3.650 -10.116 16.210 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 3.874 -10.974 16.636 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 2.796 -10.274 15.797 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 10.179 -13.784 15.255 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 11.096 -13.711 15.618 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 10.186 -14.633 14.767 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 1.928 -14.586 7.280 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 1.634 -15.386 7.778 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 1.137 -14.045 7.221 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 5.287 -11.825 -1.213 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 5.501 -11.591 -0.288 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 4.406 -12.252 -1.151 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 0.711 -16.688 8.537 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 0.744 -17.141 9.386 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 0.467 -17.391 7.902 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 16.420 -7.777 10.449 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 15.670 -7.727 11.069 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 16.894 -8.597 10.714 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 8.168 -10.058 14.999 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 7.371 -9.604 15.353 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 8.258 -10.855 15.558 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 7.166 -10.373 18.320 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 6.805 -9.810 17.606 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 7.702 -11.043 17.849 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 18.805 -12.119 4.810 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 18.997 -11.912 5.750 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 17.895 -12.500 4.829 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 17.547 -10.511 17.568 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 17.298 -9.828 18.229 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 18.267 -10.094 17.058 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 13.504 -5.703 5.860 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 12.698 -5.195 6.107 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 13.158 -6.508 5.426 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 6.739 -5.095 3.139 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 7.385 -4.469 2.785 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 6.680 -4.864 4.089 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 4.325 -14.220 6.068 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 4.843 -14.114 6.875 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 3.401 -14.364 6.393 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 6.884 -4.169 5.742 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 7.684 -4.683 6.024 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 6.310 -4.186 6.516 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 8.072 -2.462 3.962 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 7.615 -1.620 4.056 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 7.631 -3.048 4.617 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 10.558 -8.759 15.315 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 9.706 -9.216 15.151 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 10.693 -8.844 16.262 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 2.919 -14.868 16.706 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 1.962 -15.037 16.664 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 3.214 -15.375 17.501 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 5.346 -11.400 1.568 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 4.533 -10.852 1.525 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 5.211 -11.967 2.361 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 10.578 -5.649 2.681 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 11.167 -4.906 2.456 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 10.679 -5.752 3.640 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 10.709 -3.103 4.413 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 11.170 -3.115 3.555 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 9.790 -2.840 4.189 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 4.896 -6.779 2.131 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.513 -6.119 2.531 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 5.034 -6.674 1.161 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 4.951 -16.642 4.827 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 4.719 -15.778 5.227 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 4.251 -17.255 5.163 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 2.980 -18.102 6.085 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 2.018 -18.202 6.097 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 3.265 -18.458 6.957 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 4.933 -8.993 3.735 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 4.959 -8.197 3.160 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 4.051 -8.965 4.131 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 13.325 -5.209 0.131 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 12.911 -4.665 0.824 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 12.778 -5.049 -0.657 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 14.197 -7.050 12.096 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 13.319 -7.292 12.492 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 14.717 -6.754 12.852 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 6.054 -8.872 16.292 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 5.862 -7.932 16.386 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 5.161 -9.295 16.224 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 14.279 -14.476 18.338 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 14.924 -14.304 19.064 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 14.818 -14.924 17.643 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 6.288 -13.330 15.403 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 5.912 -14.220 15.236 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 6.844 -13.155 14.612 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 8.184 -13.065 13.453 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 8.424 -12.240 12.986 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 8.979 -13.278 13.986 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 15.211 -13.226 15.023 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.558 -12.656 15.722 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 15.378 -14.147 15.358 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 4.364 -12.589 17.157 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 3.750 -13.339 16.990 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.109 -12.749 16.532 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 3.419 -16.383 18.870 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 3.555 -16.214 19.821 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 3.958 -17.183 18.693 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 10.252 -2.946 -1.864 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 10.569 -2.276 -2.517 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 10.800 -3.732 -2.048 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 2.909 -9.919 1.415 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 2.797 -9.183 2.059 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 2.006 -10.189 1.210 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 17.421 -8.281 19.203 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 17.723 -8.110 20.106 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 18.013 -7.743 18.651 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 18.544 -9.036 5.664 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 17.877 -8.613 6.250 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 18.898 -9.770 6.203 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 17.404 -10.211 11.345 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 16.806 -10.809 11.843 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 17.969 -10.821 10.827 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 18.166 -14.428 15.800 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 18.752 -15.129 15.481 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 17.303 -14.890 15.960 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 15.485 -14.012 10.472 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 16.265 -14.353 9.984 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 14.838 -13.801 9.767 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 0.516 -16.091 17.715 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 -0.162 -15.902 18.402 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 1.272 -16.441 18.218 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 13.783 -22.127 5.472 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 13.310 -22.841 5.947 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 13.099 -21.726 4.900 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 12.415 -7.952 10.080 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 12.863 -7.900 9.214 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 13.092 -7.659 10.716 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 -3.243 -19.317 10.848 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 -3.878 -19.971 10.540 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 -3.583 -19.054 11.730 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 0.119 -18.997 7.163 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 -0.097 -19.293 8.080 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 -0.486 -19.495 6.609 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 7.390 -17.760 5.555 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 6.478 -17.436 5.382 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 7.958 -17.081 5.171 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 7.750 -18.273 2.370 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 6.814 -18.371 2.584 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 8.196 -18.935 2.935 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 12.139 -3.333 1.995 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 12.873 -2.718 2.218 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 11.520 -2.783 1.455 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 14.060 -7.388 7.951 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 13.848 -6.835 7.173 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 14.428 -6.750 8.601 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 5.528 -4.094 -1.779 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 4.792 -3.507 -1.964 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 6.320 -3.517 -1.860 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 10.759 -11.294 22.891 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 10.664 -10.406 23.292 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 9.863 -11.513 22.576 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 10.275 -12.257 29.768 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 9.440 -12.737 29.995 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 10.874 -12.473 30.491 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 2.971 -14.638 30.650 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 2.833 -14.593 31.610 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 3.397 -15.511 30.507 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 11.777 -9.516 26.552 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 11.566 -10.471 26.638 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 11.464 -9.284 25.650 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.154 -17.333 21.874 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 1.266 -18.002 21.169 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 0.261 -17.509 22.234 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 3.671 -12.625 26.990 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 3.294 -12.922 26.132 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 4.385 -11.998 26.730 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 12.040 -9.187 29.267 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 11.885 -9.245 28.298 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 12.724 -9.864 29.437 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 10.830 -8.781 24.065 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 11.268 -8.032 23.647 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 9.897 -8.478 24.184 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 8.985 -10.101 28.521 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 9.566 -10.677 29.058 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 9.293 -9.188 28.728 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 9.863 -7.575 29.126 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 10.736 -7.984 29.309 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 10.064 -6.652 28.957 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 8.402 -11.820 26.439 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 7.439 -11.801 26.297 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 8.551 -11.173 27.160 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 9.648 -13.174 19.835 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.549 -13.585 19.864 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 9.548 -12.890 18.915 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.298 -11.199 23.936 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 12.398 -11.201 23.540 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 13.617 -12.093 23.795 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.017 -15.354 34.095 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 12.790 -14.428 33.849 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 13.737 -15.256 34.760 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 5.494 -13.188 21.941 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.391 -12.907 22.182 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 5.075 -13.397 22.786 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 6.305 -9.711 28.369 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 6.080 -9.999 29.274 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 7.285 -9.719 28.358 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 11.993 -14.507 19.887 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 12.189 -15.208 20.527 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 12.788 -14.481 19.308 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 2.092 -11.428 31.328 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 1.935 -11.914 30.490 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 1.518 -10.656 31.264 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 3.721 -16.248 21.692 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 3.350 -15.378 21.919 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 2.997 -16.873 21.898 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 19.403 -7.116 20.962 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 19.098 -6.848 21.859 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 19.874 -7.967 21.115 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 13.762 -7.620 26.668 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.232 -7.905 25.864 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 12.983 -8.211 26.708 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 16.263 -16.134 37.977 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.135 -15.860 38.314 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 16.360 -17.097 37.823 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 16.267 -14.095 20.151 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 16.734 -13.926 20.972 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 16.882 -13.770 19.455 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 6.309 -12.749 34.493 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 5.815 -13.596 34.581 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 5.748 -12.207 33.904 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 5.023 -13.179 29.467 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 4.321 -13.691 29.917 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 4.642 -12.972 28.592 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 6.467 -15.862 17.587 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 6.055 -15.172 18.146 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 7.146 -16.248 18.155 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 1.945 -16.660 28.388 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 2.229 -17.112 29.196 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 2.771 -16.241 28.046 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 5.676 -13.859 19.302 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 5.427 -13.597 20.219 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 5.158 -13.259 18.730 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 8.016 -13.524 30.571 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 8.216 -14.014 31.407 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 7.106 -13.776 30.361 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 7.893 -15.280 20.135 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 8.650 -14.660 20.128 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 7.135 -14.731 19.846 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 8.271 -8.029 24.264 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 7.655 -8.729 23.965 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 7.799 -7.589 24.977 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 15.580 -10.567 27.184 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.468 -10.977 27.268 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 15.694 -9.667 27.575 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 5.732 -11.109 26.127 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 5.919 -10.578 25.329 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 5.854 -10.476 26.876 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 14.661 -11.102 33.365 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 15.432 -11.501 32.905 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 14.466 -10.292 32.843 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 19.216 -5.563 26.268 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 19.372 -5.478 25.314 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 18.292 -5.844 26.331 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 11.058 -12.125 27.099 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 10.828 -12.229 28.047 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 10.193 -12.184 26.636 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 6.703 -10.180 23.562 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 6.326 -10.104 22.661 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 7.404 -10.848 23.468 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 14.233 -10.845 29.599 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 14.636 -10.708 28.719 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 14.367 -11.807 29.773 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 0.760 -19.186 30.296 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 0.346 -20.078 30.213 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 0.253 -18.636 29.673 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 17.174 -7.523 25.230 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 17.552 -8.003 25.991 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 16.418 -8.081 24.944 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 2.972 -14.021 24.701 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 2.372 -14.573 25.249 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 2.565 -14.045 23.812 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 8.712 -14.815 32.839 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 8.729 -14.437 33.739 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 9.120 -15.694 32.941 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 6.117 -17.327 20.790 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 6.857 -16.688 20.777 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 5.403 -16.860 21.271 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 1.566 -14.614 22.366 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 0.729 -14.132 22.277 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 1.322 -15.549 22.198 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 14.025 -9.056 31.610 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 13.206 -8.627 31.324 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 14.222 -9.697 30.887 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 6.130 -10.462 20.802 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 6.485 -10.306 19.890 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 5.299 -10.930 20.653 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 4.583 -11.455 32.702 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 3.762 -11.317 32.189 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 5.299 -11.219 32.073 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 8.235 -11.878 21.830 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 7.613 -11.313 21.325 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 8.750 -12.349 21.134 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 17.939 -13.079 18.283 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 17.730 -12.160 17.985 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 18.120 -13.563 17.454 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 2.569 -13.186 33.503 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 2.146 -12.611 32.840 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 3.459 -12.801 33.613 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 6.402 -11.208 30.694 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 5.854 -11.866 30.210 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 7.266 -11.644 30.783 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 8.746 -13.510 35.334 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 7.858 -13.184 35.036 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 9.025 -12.863 35.989 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 12.482 -12.811 33.340 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 13.249 -12.199 33.355 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 11.726 -12.251 33.536 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 2.251 -15.585 34.789 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 1.926 -15.528 35.715 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 2.201 -14.661 34.456 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 4.985 -15.145 34.709 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 4.031 -15.371 34.706 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 5.421 -15.966 34.956 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 9.747 -17.387 32.575 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 10.335 -18.070 32.182 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 9.034 -17.281 31.917 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 10.985 -16.923 34.993 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 10.523 -17.202 34.175 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 11.721 -16.357 34.671 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 1.236 -16.040 37.346 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 0.737 -15.610 38.044 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 1.766 -16.721 37.816 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 4.924 -19.108 38.039 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 4.249 -18.419 38.141 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 5.762 -18.611 37.931 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 15.072 -9.289 24.808 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 14.458 -9.835 24.267 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 15.200 -9.819 25.620 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 13.713 -12.925 26.991 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 12.763 -12.692 26.906 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 14.179 -12.108 26.753 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 18.396 -8.698 27.472 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 17.628 -8.319 27.957 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 18.332 -9.661 27.643 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 18.146 -11.456 27.657 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 18.048 -12.060 28.423 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 18.937 -11.775 27.201 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 1.623 -12.848 28.959 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 1.940 -13.635 29.447 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 2.257 -12.752 28.220 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 14.637 -10.909 36.092 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 14.218 -10.056 36.227 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 14.676 -11.006 35.116 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 15.149 -15.066 35.749 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 15.357 -15.571 36.566 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 15.577 -14.203 35.893 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 0.085 -17.323 34.565 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 0.891 -16.776 34.477 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 -0.128 -17.277 35.505 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 -0.561 -17.868 28.074 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 -0.888 -17.540 27.212 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 0.309 -17.433 28.178 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 4.755 -18.796 18.963 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 5.371 -18.425 19.639 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 5.335 -19.301 18.362 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 14.269 -19.593 38.002 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 13.597 -19.296 37.342 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 15.071 -19.073 37.780 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 8.713 -16.118 36.308 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 8.676 -15.184 36.027 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 9.569 -16.439 35.956 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 7.473 -18.014 37.829 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 8.038 -18.752 37.557 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 7.839 -17.239 37.337 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 12.204 -19.108 36.241 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 11.816 -18.263 35.935 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 11.514 -19.774 36.030 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 6.884 -18.265 40.539 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 7.144 -18.078 39.615 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 7.438 -19.034 40.793 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 16.239 -12.831 37.065 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 15.852 -13.176 37.879 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 15.635 -12.096 36.801 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 18.531 -7.401 32.804 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 19.097 -6.893 32.173 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 18.869 -7.141 33.685 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 19.051 -17.126 32.343 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 18.676 -17.774 32.985 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 18.303 -16.527 32.148 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 17.643 -16.019 34.826 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 17.739 -16.990 34.676 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 16.685 -15.885 34.917 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 19.540 -18.596 38.182 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 19.741 -18.731 37.225 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 20.246 -19.072 38.637 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 20.403 -18.971 35.616 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 20.976 -19.450 34.980 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 19.526 -18.911 35.152 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 2.549 -17.822 39.063 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 3.143 -17.604 39.818 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 2.278 -18.744 39.233 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 16.851 -18.760 37.510 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 17.732 -18.760 37.934 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 16.979 -19.308 36.696 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 4.341 -17.504 41.113 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 4.536 -16.926 41.856 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 5.222 -17.869 40.856 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 8.314 -20.585 40.937 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 9.224 -20.954 40.944 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 7.739 -21.365 41.062 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 16.591 1.613 -2.962 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 17.072 2.242 -3.513 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 15.647 1.754 -3.203 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 13.038 0.028 -5.075 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 12.890 0.379 -5.984 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 13.427 0.783 -4.588 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 15.960 1.005 -0.301 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 15.024 0.794 -0.486 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 16.299 1.343 -1.151 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 13.385 0.263 -1.165 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 12.606 0.264 -0.592 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 13.444 -0.669 -1.484 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.997 -0.840 -0.360 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.989 0.116 -0.237 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 18.464 -0.982 -1.176 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 17.283 -0.978 -2.512 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 17.083 -0.047 -2.759 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 16.428 -1.339 -2.240 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 15.289 -2.494 0.188 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 14.739 -2.306 0.972 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 16.198 -2.550 0.547 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 10.333 -1.864 0.633 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 9.419 -1.702 0.893 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 10.262 -2.258 -0.266 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 13.894 1.953 -3.266 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 13.366 2.750 -3.134 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 13.650 1.374 -2.506 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.325 0.107 2.254 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.239 0.444 1.330 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.568 0.887 2.768 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 17.635 -2.293 1.558 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 18.307 -1.913 0.955 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 17.285 -1.518 2.040 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 14.246 -1.666 2.642 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 14.919 -0.962 2.503 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 14.417 -1.980 3.540 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 24.234 -44.491 17.604 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 24.597 -44.612 16.700 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 25.010 -44.218 18.138 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.033 -40.037 15.362 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 22.229 -40.583 15.263 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 23.539 -40.491 16.079 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 16.314 -44.346 13.274 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 15.918 -43.486 13.013 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 16.510 -44.779 12.439 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 20.369 -39.772 11.211 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 21.315 -39.600 11.154 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 19.958 -39.020 10.738 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 27.158 -42.903 14.321 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 28.063 -42.774 14.021 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 27.154 -42.531 15.240 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 23.092 -43.492 13.743 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 23.618 -43.674 12.941 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 23.615 -43.893 14.463 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 19.530 -42.965 19.184 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 19.480 -42.024 19.003 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 20.194 -43.296 18.543 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 25.357 -43.129 12.135 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 24.993 -42.237 11.987 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 26.047 -42.996 12.807 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 21.123 -42.076 15.101 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 21.653 -42.626 14.486 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 20.458 -41.638 14.522 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 24.112 -41.396 17.410 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 23.519 -41.445 18.188 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 24.931 -41.810 17.708 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 16.152 -44.567 15.971 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 16.311 -44.602 14.998 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 16.880 -45.107 16.354 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 21.474 -43.585 17.347 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.447 -43.676 17.320 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 21.265 -43.025 16.566 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 16.637 -37.831 10.802 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 17.581 -37.685 10.600 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 16.440 -38.684 10.406 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 25.252 -44.759 15.077 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 25.908 -44.091 14.779 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 25.548 -45.579 14.667 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 26.770 -37.944 16.622 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 26.999 -38.624 17.297 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 27.554 -37.896 16.063 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 27.320 -42.056 16.907 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 27.093 -42.663 17.642 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 27.572 -41.224 17.355 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 24.053 -37.644 16.299 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 23.665 -38.452 15.891 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 25.024 -37.806 16.276 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 19.287 -37.592 9.867 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 19.410 -37.511 8.917 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 19.465 -36.683 10.210 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 23.701 -40.950 12.761 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 23.605 -40.352 13.521 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 23.356 -41.800 13.085 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 18.604 -46.440 30.898 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 18.883 -46.701 29.992 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 19.031 -45.556 31.030 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 18.618 -48.780 25.153 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.055 -48.788 25.952 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 18.188 -48.123 24.560 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.215 -46.543 28.252 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.938 -46.866 27.669 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 19.124 -45.597 28.017 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 25.109 -40.022 24.614 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 24.384 -40.066 25.279 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 25.578 -40.874 24.717 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 23.878 -44.442 29.991 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.981 -44.333 30.964 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 24.455 -43.748 29.614 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 20.859 -47.834 26.448 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 20.136 -48.192 25.888 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 21.662 -47.948 25.900 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 24.440 -43.122 26.554 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.485 -43.300 26.613 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 24.667 -42.746 27.432 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 21.918 -43.831 28.066 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 21.268 -43.354 28.634 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 22.602 -44.134 28.695 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 19.297 -44.632 23.032 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.765 -44.183 22.333 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 20.039 -45.043 22.536 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 28.345 -40.327 24.231 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 28.537 -40.612 23.333 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 27.819 -41.062 24.609 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 22.949 -46.139 23.553 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.031 -47.010 23.996 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.526 -45.563 24.232 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 21.755 -44.491 25.393 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 21.704 -44.355 26.366 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 20.839 -44.408 25.093 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 21.880 -46.236 30.690 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 21.241 -45.502 30.833 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 22.621 -45.814 30.208 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.716 -41.360 30.283 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.808 -40.681 30.987 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 21.827 -41.736 30.422 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 19.487 -48.951 36.511 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 19.408 -49.855 36.125 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 18.578 -48.599 36.474 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 25.035 -38.525 22.420 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 24.269 -37.962 22.663 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 25.146 -39.122 23.199 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 23.198 -48.472 25.041 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 23.049 -49.443 24.929 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 23.915 -48.418 25.682 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 25.014 -42.091 29.064 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 24.181 -41.791 29.506 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 25.663 -41.423 29.310 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 25.177 -33.708 23.700 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 24.937 -33.820 22.757 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 25.907 -34.360 23.836 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 28.656 -37.772 20.135 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 29.278 -37.046 20.324 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 27.778 -37.391 20.339 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 26.969 -38.087 25.162 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 26.192 -38.672 25.051 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 27.727 -38.657 24.919 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.979 -49.063 30.758 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 22.668 -49.151 31.429 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 21.854 -48.097 30.670 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.514 -49.729 28.514 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.009 -49.699 29.364 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.913 -49.014 27.982 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 21.296 -43.348 35.644 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 21.303 -43.867 34.809 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 21.361 -44.028 36.348 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 28.564 -45.372 19.455 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 28.490 -46.196 19.986 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 29.509 -45.258 19.326 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 23.576 -47.000 32.649 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 24.068 -46.160 32.716 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 22.846 -46.796 32.029 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 18.650 -43.850 27.735 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 19.194 -43.452 28.460 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 18.286 -43.091 27.270 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 26.563 -42.335 24.977 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 26.380 -43.042 24.330 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 25.981 -42.557 25.736 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 18.592 -47.734 33.259 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 19.433 -47.523 33.711 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 18.686 -47.313 32.370 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 23.334 -47.081 35.407 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 22.365 -47.002 35.339 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 23.624 -47.227 34.483 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.902 -47.266 20.421 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 19.096 -48.183 20.642 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.670 -46.766 20.781 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 24.979 -44.273 23.836 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 24.605 -44.023 24.701 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 24.348 -44.939 23.489 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 23.593 -37.567 29.377 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.845 -37.664 28.777 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 24.369 -37.472 28.775 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 25.499 -42.851 21.511 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 25.496 -43.330 22.364 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.591 -43.007 21.152 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 21.122 -46.072 21.502 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 21.869 -46.118 22.142 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 21.564 -45.998 20.624 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 23.053 -43.433 20.579 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 22.630 -42.668 20.145 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 22.630 -44.206 20.166 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 22.531 -40.929 35.624 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 22.284 -41.874 35.572 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 23.347 -40.924 36.158 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.876 -40.332 20.493 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 25.802 -41.229 20.888 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.680 -39.727 21.237 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 16.887 -43.070 41.241 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 17.861 -43.103 41.319 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 16.723 -42.486 40.458 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 22.194 -45.600 19.055 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 23.057 -45.466 18.606 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 21.551 -45.176 18.455 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.390 -45.832 37.642 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.255 -46.518 38.336 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.198 -46.307 36.796 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 26.475 -43.633 19.008 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 26.227 -43.351 19.915 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 27.202 -44.284 19.151 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.497 -47.680 39.523 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.602 -48.447 40.093 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.569 -47.742 39.204 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 28.432 -47.587 21.056 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 28.316 -48.528 20.889 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 28.088 -47.458 21.946 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 20.544 -46.890 35.046 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 20.390 -47.752 35.493 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 20.038 -46.245 35.598 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.365 -44.777 33.384 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 21.065 -45.658 33.681 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 20.843 -44.606 32.563 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 17.716 -43.696 21.041 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 16.895 -43.222 20.760 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 18.365 -43.497 20.324 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 15.994 -46.461 30.094 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 16.844 -46.443 30.588 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 15.307 -46.450 30.794 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 18.952 -51.281 35.229 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 19.519 -52.035 35.048 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 18.204 -51.386 34.602 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 17.952 -48.920 27.831 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 18.226 -47.997 28.019 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 18.703 -49.458 28.158 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 24.912 -35.502 31.002 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.863 -36.435 30.743 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.608 -35.497 31.937 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 26.223 -36.701 20.831 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 25.881 -37.389 21.447 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 25.642 -36.782 20.038 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 24.802 -41.402 44.598 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 25.283 -42.167 44.934 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.443 -40.658 44.684 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 27.780 -43.290 40.371 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 28.525 -43.884 40.503 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 27.355 -43.612 39.557 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 20.926 -47.702 38.498 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 20.609 -48.255 37.750 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 20.103 -47.453 38.970 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 28.110 -37.501 43.544 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 27.713 -36.688 43.922 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 29.080 -37.329 43.571 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 26.401 -39.207 44.798 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 25.668 -38.722 44.364 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 27.210 -38.802 44.415 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 18.712 -45.749 36.651 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 18.012 -46.344 36.310 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 18.663 -45.856 37.616 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 19.610 -43.160 41.914 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 19.858 -43.502 41.024 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 19.742 -43.913 42.502 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 21.418 -39.590 47.845 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 21.632 -40.194 47.094 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 20.466 -39.394 47.732 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 25.747 -43.569 38.410 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 25.247 -43.406 39.220 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 25.347 -44.394 38.043 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.727 -41.213 37.244 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.210 -41.990 37.578 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.397 -40.770 38.057 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 19.784 -44.195 39.414 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 19.338 -43.411 39.007 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 20.488 -44.431 38.769 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 26.516 -38.124 41.384 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 26.781 -39.030 41.101 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 27.209 -37.864 42.030 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.760 -40.317 39.676 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 22.898 -39.867 39.527 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.778 -40.476 40.647 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 23.987 -44.212 32.764 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 23.051 -44.269 33.051 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.431 -43.722 33.493 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 21.711 -45.173 37.675 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 21.443 -46.087 37.911 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 22.688 -45.220 37.623 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 25.112 -42.973 34.945 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 24.963 -42.115 35.375 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 25.701 -43.439 35.545 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 22.102 -36.515 49.676 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 21.134 -36.634 49.781 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 22.240 -35.563 49.826 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 23.223 -39.129 49.875 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 22.541 -39.476 49.258 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 22.898 -38.236 50.105 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.652 -37.661 49.837 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.913 -38.289 49.931 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 26.216 -38.058 49.147 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 22.261 -40.954 45.672 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 21.735 -41.077 44.859 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 23.181 -41.110 45.387 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 20.855 -41.103 43.275 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 20.388 -41.763 42.719 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 20.126 -40.618 43.734 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 23.382 -40.515 42.398 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 23.914 -40.944 43.100 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 22.451 -40.705 42.653 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 27.025 -40.642 40.483 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 27.370 -41.544 40.649 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 26.698 -40.678 39.581 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 21.171 -24.033 -8.868 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 21.079 -24.846 -9.383 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 21.082 -24.328 -7.933 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 17.479 -24.180 -4.798 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 16.767 -23.547 -5.028 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 17.004 -24.946 -4.407 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 22.712 -19.304 -7.958 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 22.656 -20.286 -7.952 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 23.121 -19.094 -8.805 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 18.460 -25.150 -7.197 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 17.936 -24.864 -6.419 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 19.384 -25.034 -6.910 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 20.945 -24.394 -6.170 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.989 -23.472 -5.837 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 21.253 -24.927 -5.426 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 17.482 -21.107 -11.627 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 16.641 -21.263 -11.148 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 18.158 -21.537 -11.068 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 17.398 -23.027 0.147 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 17.827 -22.837 1.009 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 17.290 -24.003 0.143 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 20.391 -17.999 -13.893 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 20.693 -18.528 -14.636 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 19.504 -18.357 -13.686 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 19.397 -22.072 -9.778 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 19.741 -21.247 -9.416 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.057 -22.747 -9.510 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 15.003 -30.775 -6.061 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 15.598 -31.527 -5.976 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 14.263 -31.112 -6.573 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 17.383 -21.083 -1.850 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 17.421 -21.922 -1.341 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 17.897 -21.274 -2.667 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.160 -23.071 -7.914 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 25.914 -23.030 -7.314 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.460 -23.639 -8.634 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 18.570 -19.108 -4.975 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 19.293 -19.112 -5.614 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 18.498 -20.040 -4.686 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 22.971 -19.752 -4.172 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.543 -19.931 -3.415 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.475 -19.098 -4.705 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 21.372 -21.748 -5.346 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 21.855 -21.085 -4.804 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 21.842 -21.737 -6.205 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 22.657 -22.005 -7.811 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.145 -22.695 -8.288 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 23.583 -22.351 -7.811 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 18.412 -31.411 15.158 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 18.708 -30.639 15.691 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 19.181 -31.612 14.591 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 17.376 -23.585 12.707 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 18.186 -23.415 12.193 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 17.708 -23.944 13.560 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 15.967 -24.456 10.561 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 16.347 -24.038 11.369 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 16.507 -25.253 10.439 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 14.394 -33.026 5.625 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 14.181 -32.732 4.731 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 15.360 -33.001 5.661 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 20.533 -34.185 15.167 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 21.491 -34.381 15.207 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 20.443 -33.573 14.402 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.354 -26.894 12.882 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 22.698 -26.258 12.534 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 24.198 -26.425 12.812 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.365 -30.855 14.640 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.988 -30.116 14.470 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.586 -31.139 15.555 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 21.958 -24.520 12.316 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 21.431 -24.039 12.988 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.865 -24.174 12.437 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 19.153 -28.856 15.997 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 19.934 -28.566 16.512 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 19.150 -28.264 15.221 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 20.735 -22.967 14.243 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.964 -23.506 14.552 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.260 -22.823 15.043 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 26.046 -24.704 16.632 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 25.735 -23.955 17.204 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.227 -25.207 16.439 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 19.193 -21.502 9.677 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 19.162 -22.477 9.711 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 19.619 -21.256 10.527 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 19.609 -35.051 10.760 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 19.587 -35.299 11.710 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 18.850 -34.437 10.656 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 26.703 -35.349 17.686 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 27.672 -35.240 17.797 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 26.603 -36.272 17.385 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.190 -28.840 14.748 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 24.121 -28.777 15.027 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 23.122 -28.196 14.004 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 27.164 -28.312 17.654 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 26.548 -28.074 16.919 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 27.453 -29.205 17.435 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 20.411 -33.452 17.798 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 20.416 -33.623 16.830 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 20.761 -34.270 18.181 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 17.353 -33.574 10.963 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 17.279 -33.776 11.904 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 16.425 -33.570 10.645 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.582 -27.584 15.513 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.946 -27.081 14.753 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 24.810 -27.051 15.801 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 27.958 -23.804 14.861 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 27.223 -24.135 15.421 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.661 -23.587 15.501 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 18.239 -26.483 11.180 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 17.726 -27.240 10.870 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 18.479 -26.718 12.104 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 21.658 -27.827 16.868 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 21.994 -28.140 17.742 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 22.116 -28.399 16.216 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 29.117 -23.298 17.327 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 28.993 -24.205 17.667 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 29.787 -22.904 17.931 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 26.556 -22.008 13.277 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 27.213 -22.593 13.703 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 26.667 -21.153 13.733 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 30.656 -20.595 16.511 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 30.648 -19.753 15.997 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 29.828 -21.024 16.271 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 19.292 -35.820 13.375 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.811 -35.434 14.110 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.117 -36.741 13.660 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 19.519 -24.064 10.850 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.433 -24.198 11.169 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 19.123 -24.963 10.877 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 27.209 -21.354 17.412 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 26.392 -21.803 17.748 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 27.858 -22.086 17.315 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 23.549 -25.848 16.205 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 23.125 -25.117 15.730 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 22.801 -26.427 16.472 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 22.792 -28.747 19.174 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.407 -28.530 19.911 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 22.882 -29.700 19.065 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 27.994 -25.725 18.205 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 27.285 -25.350 17.632 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 27.936 -26.689 18.047 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.665 -33.514 17.499 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 25.437 -34.125 17.566 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.001 -34.029 16.997 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 22.304 -31.565 17.122 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 21.645 -32.137 17.564 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 23.152 -32.014 17.276 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 26.190 -25.649 13.593 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 27.046 -25.208 13.737 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 25.554 -24.909 13.502 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 22.864 -35.209 16.266 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 22.025 -35.565 16.621 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.410 -36.012 16.102 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.129 -32.334 19.608 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 25.682 -32.964 20.214 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 25.705 -32.502 18.742 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.206 -36.917 19.009 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 24.174 -37.176 18.066 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 23.460 -36.299 19.112 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 18.509 -19.524 7.705 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 18.631 -18.786 8.335 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 18.915 -20.290 8.162 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 16.472 -29.193 14.601 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 16.639 -28.885 15.502 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 17.224 -29.777 14.410 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 20.032 -32.569 13.072 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 20.177 -32.662 12.121 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 20.649 -31.847 13.344 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 28.657 -20.357 19.538 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 29.482 -20.884 19.522 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 28.151 -20.687 18.771 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.523 -22.692 15.884 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.028 -22.757 16.729 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.615 -21.747 15.628 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 27.892 -17.705 14.280 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.087 -17.884 13.327 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 27.412 -18.515 14.579 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 30.481 -18.345 15.016 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 29.571 -18.062 14.798 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 31.030 -17.604 14.746 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 20.674 -21.125 12.032 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 21.480 -20.569 11.954 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 20.916 -21.807 12.689 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.356 -23.597 13.405 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 24.018 -23.283 14.270 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 25.058 -22.943 13.171 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 18.757 -22.005 2.337 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 19.716 -22.052 2.431 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 18.430 -21.914 3.261 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.661 -39.745 18.499 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 26.974 -40.013 19.150 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 28.227 -39.114 19.001 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.360 -26.332 27.463 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 26.823 -26.986 28.035 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 26.888 -26.321 26.638 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.355 -22.827 26.562 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.752 -23.519 26.854 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.597 -23.085 25.649 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 27.718 -28.239 28.892 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 27.504 -28.851 29.640 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 28.669 -28.105 28.964 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 23.120 -31.756 26.483 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 23.994 -31.620 26.084 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.550 -31.105 26.030 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 22.122 -28.559 31.372 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.134 -27.665 31.783 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 21.393 -28.517 30.738 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 22.042 -26.052 32.459 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 22.498 -25.320 31.998 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 21.162 -25.674 32.697 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.782 -34.551 26.472 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.761 -34.287 25.533 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.379 -33.893 26.894 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 27.456 -30.642 21.370 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.435 -29.746 20.971 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.886 -31.180 20.778 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 29.456 -35.318 17.957 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 30.252 -34.944 17.573 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 29.682 -35.444 18.902 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 24.374 -24.669 28.475 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.978 -24.435 27.608 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 25.079 -25.310 28.246 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.094 -31.156 29.534 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.288 -30.645 30.341 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.605 -30.703 28.833 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 23.084 -25.548 36.377 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.390 -24.962 36.010 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.986 -26.381 35.872 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.625 -27.659 34.677 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.679 -27.848 34.860 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 22.604 -27.106 33.871 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 28.503 -19.835 28.706 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 28.266 -19.838 27.752 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 28.942 -20.680 28.839 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 21.298 -23.670 35.282 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.335 -23.378 34.345 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.366 -23.911 35.420 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 27.361 -21.125 21.896 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.747 -21.621 21.296 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 27.984 -20.685 21.280 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 32.924 -20.964 17.924 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 33.530 -21.243 17.231 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 32.072 -20.796 17.445 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 29.882 -19.772 24.090 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 29.905 -20.647 23.687 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 29.305 -19.884 24.874 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 19.499 -25.330 33.110 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 18.884 -24.592 33.237 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 18.949 -26.038 32.699 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 27.884 -36.812 33.292 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.989 -37.221 33.305 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 28.430 -37.461 32.843 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 24.814 -34.305 21.005 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.051 -34.587 20.479 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.416 -35.080 20.990 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 28.649 -33.099 20.684 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 28.542 -32.277 21.197 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 27.908 -33.079 20.053 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 25.037 -33.175 34.251 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.984 -33.445 34.149 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 25.080 -32.325 34.716 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 25.853 -30.041 27.706 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.454 -29.533 26.967 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 26.499 -29.423 28.098 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.748 -29.188 23.656 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 26.068 -29.821 23.984 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 27.226 -29.695 22.968 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 27.048 -30.126 30.732 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 26.279 -29.859 31.278 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 27.037 -31.098 30.770 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 19.903 -27.697 34.807 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 19.845 -26.985 34.143 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 19.118 -27.551 35.377 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 25.069 -28.204 25.822 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 25.286 -27.431 26.378 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 25.801 -28.249 25.178 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 27.398 -26.767 24.864 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 27.487 -27.629 24.406 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 27.131 -26.150 24.160 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 27.903 -23.105 23.836 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 27.663 -22.354 23.253 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 27.327 -23.833 23.538 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 23.978 -30.122 34.672 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 23.615 -29.214 34.711 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 23.541 -30.586 35.419 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.562 -24.288 25.849 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.930 -23.754 25.114 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 22.872 -24.814 25.435 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.377 -28.114 23.694 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.873 -28.243 24.532 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 22.451 -28.094 23.969 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.588 -24.122 31.091 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 23.693 -24.237 30.116 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.456 -24.343 31.445 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 24.497 -23.125 23.504 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.086 -23.867 23.272 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.637 -22.480 22.797 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 29.887 -23.252 21.749 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 29.174 -23.717 21.267 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 29.573 -23.225 22.666 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 18.215 -21.806 31.545 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 18.130 -22.096 32.481 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 17.370 -22.036 31.148 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 27.518 -34.125 33.735 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 28.034 -33.798 32.995 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 27.671 -35.098 33.725 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 30.058 -35.400 20.673 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 29.498 -34.585 20.726 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 30.692 -35.295 21.390 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 26.284 -25.166 22.773 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 26.786 -24.960 21.948 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 25.667 -25.863 22.506 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 24.835 -31.066 24.251 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 24.019 -30.922 23.754 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 25.058 -32.011 24.083 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 26.193 -32.942 30.923 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 25.379 -32.639 31.373 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.128 -33.915 30.955 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 26.921 -35.760 23.656 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 26.992 -36.550 24.234 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 27.102 -36.096 22.770 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 24.916 -23.739 37.160 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 24.285 -24.458 36.913 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 25.438 -24.119 37.867 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 30.707 -22.252 19.308 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 30.689 -22.569 20.240 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 31.630 -21.974 19.165 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 19.500 -30.289 33.969 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 18.622 -30.132 33.550 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 19.741 -29.414 34.347 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 27.691 -24.453 20.569 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 27.077 -23.707 20.339 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 27.860 -24.896 19.707 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 18.421 -27.635 32.121 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 18.747 -27.928 31.249 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 17.850 -28.380 32.427 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.516 -28.373 21.263 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.162 -28.347 22.181 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.475 -28.472 21.379 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.564 -32.887 31.945 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.829 -32.246 32.077 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.921 -33.029 32.847 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 27.268 -28.118 20.393 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 27.838 -27.345 20.470 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 27.079 -28.182 19.431 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.088 -32.775 28.052 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 26.077 -31.821 27.821 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 26.321 -32.786 28.999 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 24.592 -29.783 31.956 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 23.787 -29.266 31.751 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 24.490 -30.013 32.908 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 19.763 -32.628 35.383 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.275 -33.245 34.843 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 19.767 -31.792 34.861 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 23.205 -39.027 31.698 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 22.397 -38.657 32.127 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 23.318 -38.481 30.891 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 21.983 -35.465 35.642 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 21.926 -34.782 36.323 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 22.294 -36.265 36.130 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.979 -35.653 33.692 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 23.193 -35.718 34.277 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 24.414 -34.820 33.974 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.396 -37.907 33.032 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 24.870 -37.174 33.418 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 24.723 -38.514 32.664 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 22.985 -37.564 37.071 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 23.650 -37.482 37.792 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 23.192 -38.408 36.653 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 18.320 -24.578 36.044 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 18.088 -25.528 35.998 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 18.019 -24.303 36.943 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.797 -22.629 32.699 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 22.482 -23.104 32.187 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.311 -22.114 32.022 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.606 -17.300 33.288 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 20.684 -17.163 32.964 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 21.658 -18.267 33.456 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 20.653 -21.327 30.548 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 20.602 -21.810 29.715 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 19.736 -21.389 30.919 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 25.424 -37.060 27.385 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.085 -37.420 26.765 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 25.208 -36.176 27.016 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 17.865 -26.115 46.806 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 18.584 -26.780 46.866 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 18.291 -25.285 47.035 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 18.023 -30.106 45.797 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 17.622 -31.005 45.742 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 17.324 -29.560 46.226 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 19.724 -26.428 42.647 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 20.262 -26.355 41.852 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 18.816 -26.549 42.309 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 23.565 -28.482 45.625 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 24.138 -27.782 45.303 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 22.691 -28.277 45.231 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 21.384 -33.658 50.152 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 20.440 -33.678 49.874 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 21.352 -33.412 51.082 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 18.969 -30.594 41.132 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 18.296 -30.385 40.473 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 19.799 -30.655 40.611 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 26.705 -38.903 47.535 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 26.305 -39.680 47.984 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 26.706 -39.149 46.586 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 23.412 -31.220 45.781 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 23.105 -31.333 46.698 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 23.553 -30.252 45.693 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 22.850 -31.972 48.467 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.249 -32.539 48.997 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 23.652 -32.517 48.361 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 20.621 -31.044 39.000 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 20.870 -31.953 38.745 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 19.897 -30.810 38.372 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 21.681 -29.451 48.337 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 22.456 -28.921 48.542 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 22.002 -30.376 48.388 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 20.218 -30.400 44.253 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 20.663 -29.527 44.231 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 19.472 -30.272 44.879 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 19.731 -28.168 46.909 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 20.412 -28.538 47.520 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 19.155 -28.932 46.708 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 20.945 -33.485 37.707 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 20.410 -34.148 38.188 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.373 -33.215 36.956 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 29.529 -34.340 44.757 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 28.627 -34.730 44.750 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 29.404 -33.471 45.147 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 22.994 -36.453 44.820 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 23.019 -37.018 45.623 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 23.563 -36.931 44.174 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 22.655 -31.277 36.851 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.284 -30.783 37.596 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 22.385 -32.194 37.015 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 25.359 -33.175 45.472 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.723 -32.452 45.301 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 25.278 -33.338 46.426 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 24.777 -34.105 48.106 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 25.212 -34.873 47.668 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 24.886 -34.293 49.070 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 21.095 -27.807 44.562 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 20.595 -27.240 43.931 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 20.591 -27.736 45.401 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 18.506 -30.886 37.315 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 17.680 -30.436 37.035 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 18.778 -31.398 36.531 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 18.813 -33.867 49.220 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 17.862 -33.629 49.265 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 19.051 -33.714 48.274 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.975 -35.303 44.833 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 26.563 -35.807 45.566 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 26.413 -34.500 44.757 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 30.681 -36.606 43.770 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 30.392 -35.729 44.109 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 31.624 -36.506 43.628 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.835 -37.799 39.144 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.537 -38.702 39.347 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 25.503 -37.608 39.831 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 21.524 -31.119 32.317 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 21.819 -30.251 31.982 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 20.778 -30.902 32.913 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 25.143 -35.119 50.597 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 25.312 -36.041 50.286 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 25.451 -35.120 51.506 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 25.310 -40.729 49.013 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 24.503 -40.230 49.262 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 25.373 -41.419 49.676 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 17.932 -22.689 34.115 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 18.088 -23.334 34.840 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 17.659 -21.862 34.584 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 16.222 -28.336 46.845 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 15.587 -28.253 46.104 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 16.655 -27.455 46.891 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 19.120 -33.651 46.566 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 18.340 -33.256 46.091 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 19.885 -33.361 46.049 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 18.821 -38.417 47.906 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 18.550 -37.647 47.361 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 19.094 -38.021 48.753 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 25.641 -36.454 46.940 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 26.240 -37.174 47.230 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.746 -36.853 47.005 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 17.222 -23.796 38.400 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 17.170 -23.778 39.375 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 16.645 -23.056 38.112 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 24.440 -38.083 43.166 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 23.946 -38.856 42.822 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 25.114 -37.905 42.471 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 23.430 -21.861 35.875 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.044 -22.480 36.331 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.629 -22.396 35.718 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 20.938 -13.829 -5.464 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 20.927 -13.075 -6.091 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.888 -13.997 -5.313 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 14.904 -12.021 -10.160 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 15.291 -11.755 -11.000 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 15.664 -12.341 -9.637 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 19.102 -12.149 -9.543 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.420 -12.908 -10.081 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.238 -12.452 -9.191 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 18.851 -14.578 -7.277 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.522 -14.436 -6.580 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 19.184 -15.349 -7.778 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 24.348 -18.009 -5.808 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.471 -18.702 -6.471 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 23.947 -17.267 -6.314 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 18.816 -8.428 -6.669 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 19.229 -8.818 -7.469 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 18.998 -7.472 -6.748 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 23.724 -14.133 -5.531 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 24.204 -13.428 -5.982 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 23.536 -14.790 -6.241 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 21.431 -3.822 -4.145 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.409 -3.792 -3.998 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 21.058 -3.771 -3.250 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 20.987 -11.992 -7.547 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 21.102 -11.033 -7.472 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 20.207 -12.091 -8.132 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 19.502 -10.585 -3.732 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 19.214 -10.452 -4.647 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 19.433 -9.689 -3.328 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 17.687 -12.032 -2.242 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 18.467 -11.558 -2.597 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 17.102 -12.139 -3.022 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 23.982 -3.709 -3.270 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 24.715 -4.268 -3.004 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 23.956 -3.002 -2.587 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 16.412 -9.173 -5.668 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 17.284 -8.911 -6.041 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 15.782 -8.535 -6.060 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 18.825 -5.636 -6.797 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 19.235 -4.747 -6.701 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 18.118 -5.501 -7.438 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 16.310 -11.675 -4.719 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 16.384 -10.756 -5.072 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 15.778 -12.143 -5.390 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 22.064 -14.197 -8.879 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 21.453 -14.268 -9.635 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 21.795 -13.373 -8.429 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 19.369 -16.948 -8.745 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 19.389 -16.990 -9.724 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 18.460 -17.245 -8.510 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 22.999 -16.093 -7.237 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 22.167 -16.585 -7.094 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 22.790 -15.482 -7.987 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 19.861 -9.568 -8.946 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 20.311 -9.251 -9.735 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 19.476 -10.429 -9.219 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 25.207 -15.054 -1.309 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 26.167 -15.010 -1.266 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.024 -15.465 -2.184 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 18.673 -17.514 0.581 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 18.408 -18.450 0.662 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 19.556 -17.475 1.023 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 19.743 -6.015 -4.232 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 20.468 -5.362 -4.327 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 19.346 -6.059 -5.126 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 20.859 -17.810 -6.682 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.479 -18.448 -7.108 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 20.263 -17.528 -7.416 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 21.880 -4.491 1.436 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.732 -3.745 0.821 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 22.732 -4.302 1.836 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 23.489 -12.813 -1.024 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 23.987 -13.640 -1.170 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 22.698 -12.908 -1.583 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.954 -12.727 -2.736 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 20.992 -13.288 -3.529 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 20.579 -11.881 -3.061 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 22.177 -15.857 -2.284 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 23.029 -15.856 -2.753 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 21.631 -16.495 -2.788 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 24.558 -16.028 -3.762 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 24.312 -15.279 -4.349 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 24.677 -16.781 -4.374 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 18.611 -14.791 0.748 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 18.608 -15.771 0.658 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 18.853 -14.640 1.684 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 15.417 -19.360 -0.860 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 15.758 -19.311 0.044 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 16.085 -19.897 -1.337 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 16.777 -13.185 -8.416 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 17.475 -13.679 -7.917 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 16.121 -12.941 -7.727 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 21.111 -17.671 -3.991 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 21.628 -18.489 -3.870 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 21.009 -17.597 -4.966 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 19.166 -8.137 -2.625 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 19.367 -7.450 -3.297 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 19.905 -8.058 -1.976 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 19.918 -3.143 -6.301 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 20.524 -3.331 -5.543 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.457 -2.625 -6.910 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 19.394 -16.921 -11.546 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 18.631 -17.454 -11.852 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.079 -17.088 -12.227 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 17.703 -20.057 0.730 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 17.707 -20.428 -0.177 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 18.092 -20.774 1.282 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 19.659 -14.230 3.282 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 19.331 -13.498 3.848 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 20.538 -13.921 2.982 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 19.223 -11.197 7.360 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 20.035 -11.582 7.762 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 18.612 -11.107 8.106 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.156 -12.489 8.800 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 21.580 -12.612 9.681 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 21.446 -13.270 8.286 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 19.097 -16.927 13.451 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 18.752 -17.809 13.653 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 18.300 -16.411 13.207 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 21.444 -16.088 12.429 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 21.599 -15.272 12.955 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 20.582 -16.431 12.767 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 21.091 -12.337 15.644 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 21.366 -11.859 16.452 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 20.203 -11.999 15.463 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 16.453 -13.429 4.817 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 16.570 -14.110 5.506 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 15.638 -13.698 4.352 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 18.519 -9.365 13.946 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 18.255 -9.372 13.013 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 18.401 -10.292 14.234 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 19.670 -9.122 16.450 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 19.685 -8.233 16.864 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 19.361 -8.957 15.532 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 22.995 -17.721 14.281 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 22.286 -17.460 13.670 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.451 -16.887 14.488 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 26.628 -19.931 15.152 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 26.910 -20.393 15.970 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 25.646 -19.909 15.217 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 27.311 -15.015 13.838 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 27.692 -14.525 14.604 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 27.641 -15.930 13.957 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 24.077 -14.931 9.401 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 24.094 -15.271 10.319 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 24.927 -14.490 9.298 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 28.167 -14.442 16.341 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 27.528 -15.121 16.635 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 28.909 -14.526 16.969 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 19.146 -13.676 12.506 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 18.963 -13.063 13.248 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 18.425 -14.341 12.564 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 21.070 -17.212 1.772 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 21.794 -16.979 1.152 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 21.320 -16.772 2.599 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 17.762 -14.680 9.049 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 18.072 -13.772 9.248 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 18.495 -15.256 9.370 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 22.015 -18.974 7.153 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 22.854 -19.223 6.757 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 21.706 -18.217 6.605 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 21.480 -16.702 5.793 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 21.903 -16.274 5.014 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 21.529 -16.017 6.501 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 22.687 -15.642 3.515 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 22.449 -14.742 3.214 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.317 -15.953 2.849 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 21.364 -10.645 17.958 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 21.867 -10.026 18.530 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 20.782 -10.057 17.424 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 24.144 -15.897 11.989 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 23.172 -16.040 11.993 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.364 -15.745 12.929 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 18.123 -12.056 14.476 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 18.086 -12.849 15.061 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 17.279 -12.085 13.980 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 24.771 -15.507 14.749 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 25.586 -15.134 14.345 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 25.089 -15.902 15.588 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 16.924 -15.408 12.786 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 16.456 -15.914 13.503 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 16.218 -15.167 12.165 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 23.927 -11.424 1.226 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 24.888 -11.377 1.207 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 23.693 -11.897 0.386 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.892 -8.936 0.770 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 22.813 -8.474 1.636 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 23.373 -9.762 0.983 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 26.808 -15.839 11.256 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 27.085 -15.315 12.036 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 25.848 -15.964 11.385 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 26.550 -16.654 16.711 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.101 -17.124 16.063 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 26.471 -17.288 17.462 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 21.148 -7.725 -0.891 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 20.791 -7.081 -0.244 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 22.003 -8.008 -0.500 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 20.784 -18.575 9.543 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.366 -19.402 9.830 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 21.274 -18.824 8.722 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 22.319 -7.727 3.156 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.366 -7.538 3.327 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 22.782 -7.221 3.828 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 21.289 -4.621 18.446 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 21.205 -3.783 17.981 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 21.001 -4.415 19.369 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 19.729 -11.763 19.974 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 20.319 -11.432 19.269 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 19.101 -12.345 19.504 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 20.426 -12.870 0.033 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 19.723 -13.545 0.152 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 20.613 -12.886 -0.928 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 27.715 -10.716 20.208 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 28.283 -10.202 20.813 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 28.246 -11.510 20.004 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 22.002 -13.202 2.255 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 22.759 -12.603 2.102 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 21.489 -13.156 1.412 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 22.446 -14.000 13.951 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 21.964 -13.413 14.583 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 23.235 -14.285 14.445 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 23.156 -16.265 0.247 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 24.011 -15.868 0.009 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 22.612 -16.152 -0.561 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 29.381 -12.951 20.106 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 29.456 -13.612 19.379 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 30.237 -12.992 20.548 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 28.336 -18.058 11.641 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 28.474 -18.566 10.837 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 27.851 -17.257 11.341 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 21.638 -13.122 11.416 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.266 -13.225 12.153 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 20.774 -13.357 11.811 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 29.904 -15.057 18.421 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 30.817 -15.319 18.609 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 29.385 -15.882 18.577 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 23.897 -20.006 15.420 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.508 -19.259 14.905 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 23.690 -19.781 16.359 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.957 -17.507 19.000 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.640 -18.418 19.129 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 29.820 -17.487 19.463 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 31.358 -17.084 20.219 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 32.023 -17.794 20.065 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 31.115 -17.186 21.161 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 15.514 -4.307 7.121 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 14.738 -4.729 6.707 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 15.448 -4.554 8.062 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 18.777 -12.314 10.142 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 18.915 -12.759 11.008 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 19.668 -12.315 9.728 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 21.773 -15.040 7.937 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 21.148 -15.383 8.612 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 22.649 -15.048 8.395 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 20.045 -15.975 9.882 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 20.470 -15.798 10.743 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 20.159 -16.946 9.757 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 16.885 -15.527 6.582 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 17.208 -15.259 7.474 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 17.703 -15.800 6.104 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 19.694 -6.902 18.185 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 19.659 -6.986 19.160 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 20.293 -6.144 18.035 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 22.656 -19.212 11.430 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 23.419 -18.632 11.525 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 22.076 -18.748 10.795 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 17.781 -18.735 5.157 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 18.236 -17.886 4.943 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 18.018 -18.899 6.097 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 19.718 -7.271 3.832 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 19.139 -6.501 3.740 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 19.300 -7.804 4.543 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 18.981 -16.296 4.995 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 19.175 -15.599 4.327 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 19.868 -16.540 5.348 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.770 -5.992 0.711 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.016 -5.750 1.298 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 20.546 -5.538 1.121 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 33.155 -19.119 19.924 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 33.990 -19.393 20.307 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 33.028 -19.728 19.164 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 28.763 -10.595 24.251 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 28.923 -10.227 23.356 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 29.572 -11.121 24.439 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 30.049 -9.024 29.051 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 29.852 -9.008 28.096 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 30.813 -9.631 29.129 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 20.939 -9.153 26.622 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 21.068 -9.794 27.354 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 20.026 -8.819 26.755 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 27.748 -3.334 30.415 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 27.457 -3.725 31.275 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 28.139 -2.490 30.662 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 29.523 -12.175 29.845 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 29.490 -12.575 28.951 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 30.350 -11.657 29.842 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 29.112 -15.865 27.658 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 28.846 -16.788 27.558 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 28.711 -15.594 28.519 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 29.774 -13.195 27.285 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 29.463 -14.119 27.403 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 29.712 -13.046 26.328 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 21.801 -9.170 31.774 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 20.839 -9.293 31.752 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 21.936 -8.445 32.429 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 21.690 -18.757 30.259 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 21.359 -19.670 30.396 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 21.076 -18.207 30.761 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 29.686 -9.597 21.821 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 29.663 -8.619 21.682 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 30.576 -9.849 21.555 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 31.140 -11.836 24.863 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 31.576 -11.455 25.639 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 31.694 -12.609 24.637 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 32.632 -16.350 24.237 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 31.909 -16.711 23.669 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 33.289 -17.055 24.254 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 27.516 -10.185 33.140 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 27.626 -11.093 32.778 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 28.014 -9.618 32.513 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 29.215 -8.745 26.316 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 28.870 -9.454 25.729 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 29.702 -8.165 25.720 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 24.155 -10.497 31.367 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 24.364 -11.148 32.079 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 23.246 -10.193 31.577 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 27.883 -4.862 28.148 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 28.211 -4.239 27.491 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 27.982 -4.384 29.002 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 22.136 -7.137 33.655 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 22.738 -6.381 33.516 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 21.364 -6.751 34.122 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 15.893 -8.150 28.334 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 15.091 -7.708 27.974 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 15.973 -7.801 29.254 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 25.555 -8.355 32.283 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 26.279 -8.799 32.764 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 24.951 -9.083 32.040 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 16.850 -12.278 32.011 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 17.128 -12.448 31.092 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 16.965 -13.133 32.452 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 22.043 -15.851 28.077 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 22.239 -16.450 27.349 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.775 -16.003 28.719 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 27.114 -18.029 30.215 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 26.202 -18.358 30.107 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 27.667 -18.694 29.742 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 27.355 -13.628 21.850 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 26.698 -13.938 21.217 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 28.089 -13.296 21.290 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 26.005 -14.322 34.343 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 26.605 -14.959 33.888 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 25.441 -14.882 34.891 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 30.226 -15.215 25.207 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 31.097 -15.616 25.041 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 29.961 -15.567 26.082 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 27.972 -12.656 32.000 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 28.326 -13.482 32.359 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 28.524 -12.489 31.195 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 25.908 -17.042 22.968 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 26.779 -16.598 23.072 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 25.256 -16.326 23.121 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 19.465 -9.252 36.356 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 20.237 -9.632 36.839 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 18.750 -9.880 36.525 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 24.068 -15.893 29.862 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 24.654 -15.112 29.907 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 23.971 -16.167 30.805 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 27.738 -5.564 20.375 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 26.873 -5.992 20.341 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 27.601 -4.714 19.943 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 30.568 -17.439 22.856 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 29.737 -16.924 22.916 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 30.336 -18.315 23.250 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 23.429 -8.267 29.670 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 23.308 -7.314 29.873 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 22.820 -8.719 30.289 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 33.217 -13.749 24.832 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 34.126 -13.668 24.523 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 32.968 -14.676 24.610 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 29.952 -6.961 21.222 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 30.648 -6.363 20.936 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 29.120 -6.498 20.973 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 24.792 -12.061 33.462 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 24.967 -11.497 34.233 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 25.215 -12.917 33.693 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 24.485 -5.872 32.566 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 23.993 -5.749 31.730 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 24.889 -6.769 32.477 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 31.985 -10.972 29.412 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 32.774 -10.934 29.964 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 32.252 -11.540 28.651 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 23.580 -8.383 26.928 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 23.524 -8.303 27.898 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 22.666 -8.575 26.651 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 26.784 -4.299 32.776 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 25.948 -4.808 32.684 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 26.926 -4.251 33.726 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 22.992 -5.620 30.207 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 22.313 -5.530 29.503 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 23.777 -5.137 29.848 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 28.366 -8.515 31.107 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 28.480 -7.573 31.273 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 29.008 -8.712 30.381 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 16.372 -7.640 30.966 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 17.030 -7.478 31.669 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 15.599 -8.000 31.438 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 23.127 -6.212 19.851 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 22.543 -5.647 19.307 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 22.836 -6.046 20.769 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 20.632 -4.559 21.040 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 19.947 -5.249 21.041 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 21.246 -4.837 21.747 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 27.321 -16.274 32.974 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 27.804 -16.635 32.217 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 26.810 -17.039 33.318 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 26.373 -19.559 23.923 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 26.840 -20.008 23.184 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 26.290 -18.624 23.623 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 28.343 -15.732 23.314 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 28.932 -15.426 24.042 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 28.041 -14.903 22.886 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 25.642 -14.040 31.168 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 26.249 -13.362 31.526 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 25.317 -14.508 31.957 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 27.699 -15.393 29.934 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 27.462 -16.336 30.082 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 26.959 -14.895 30.335 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 22.366 -6.080 22.605 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 21.829 -6.790 23.020 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 23.168 -6.051 23.139 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 32.477 -12.632 27.322 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 32.865 -13.113 26.567 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 31.576 -13.007 27.409 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 22.679 -8.895 19.661 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 22.824 -7.922 19.675 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 23.584 -9.270 19.713 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 21.052 -8.163 23.892 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 21.171 -8.666 24.721 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 21.006 -8.853 23.193 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 18.769 -12.367 36.142 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 17.834 -12.446 36.435 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 19.128 -13.273 36.255 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 25.149 -10.093 19.597 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 25.232 -10.233 18.648 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 26.057 -10.263 19.943 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 22.509 -13.138 36.769 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 22.531 -14.052 36.427 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 23.323 -13.064 37.311 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 25.329 -4.518 29.396 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 25.879 -4.901 28.694 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 25.923 -3.899 29.850 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 26.362 -12.294 24.071 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 27.083 -11.670 24.264 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 26.667 -12.775 23.279 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 24.526 -20.028 32.214 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 24.504 -19.516 31.373 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 24.742 -20.926 31.938 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 24.104 -16.447 32.505 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 24.677 -17.042 33.031 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 23.192 -16.698 32.768 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 19.613 -14.968 36.254 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 18.895 -15.349 35.686 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 19.380 -15.261 37.161 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 25.624 -18.235 33.947 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 25.330 -18.961 33.354 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 25.433 -18.575 34.850 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 24.605 -19.447 36.210 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 24.201 -20.330 36.024 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 23.855 -18.907 36.530 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 20.621 -9.522 21.492 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 21.466 -9.461 20.997 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 20.214 -10.351 21.161 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 18.908 -10.142 32.704 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 18.635 -9.196 32.685 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 18.111 -10.627 32.425 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 20.342 -6.131 31.227 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 20.195 -6.084 30.261 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 21.269 -5.865 31.335 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 20.725 -6.188 28.483 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 20.639 -7.120 28.252 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 20.253 -5.720 27.756 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 27.426 -7.558 28.025 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 27.645 -6.603 28.040 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 28.082 -7.945 27.412 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 24.375 -18.598 29.890 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 24.434 -17.646 29.673 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 23.406 -18.780 29.892 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 23.933 -20.190 22.903 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 24.777 -19.965 23.352 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 23.469 -20.747 23.539 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 27.948 -20.226 26.065 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 27.693 -21.155 26.277 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 27.287 -19.944 25.394 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 18.973 -6.437 23.551 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 19.711 -7.036 23.797 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 18.207 -6.773 24.071 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 22.084 -19.980 33.665 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 21.895 -20.938 33.613 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 22.980 -19.896 33.279 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 25.811 -19.232 38.685 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 26.387 -19.989 38.810 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 25.493 -19.321 37.763 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 24.002 -17.256 39.310 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 23.384 -17.512 38.596 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 24.725 -17.919 39.248 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 24.699 -12.723 38.403 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 24.557 -13.380 39.129 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 25.644 -12.774 38.226 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 21.611 -10.621 37.212 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 22.514 -10.254 37.269 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 21.749 -11.592 37.243 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 19.817 -6.792 35.211 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 19.470 -6.202 35.889 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 19.738 -7.691 35.612 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 24.613 -14.755 40.203 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 24.752 -14.935 41.136 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 24.400 -15.637 39.818 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 22.975 -9.471 34.797 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 23.525 -9.398 35.601 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 22.862 -8.548 34.494 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 24.390 -10.242 37.099 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 24.409 -10.961 37.759 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 25.192 -10.398 36.558 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 26.498 -11.173 35.542 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 26.851 -12.070 35.469 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 26.963 -10.674 34.834 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 18.982 -15.958 38.732 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 19.156 -16.917 38.597 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 19.527 -15.723 39.491 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 22.470 -17.884 37.056 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 22.482 -17.006 36.621 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 21.731 -18.357 36.611 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 22.123 -15.631 35.507 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 22.010 -16.137 34.674 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 21.205 -15.369 35.753 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 19.931 -4.731 -1.758 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 19.878 -5.390 -2.477 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 19.851 -5.265 -0.938 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 23.585 -1.864 -1.299 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 23.656 -0.938 -1.060 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 22.693 -2.129 -0.981 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 21.105 -2.616 -0.474 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 20.383 -1.962 -0.360 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 20.680 -3.356 -0.963 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 17.805 -5.028 2.335 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 17.754 -4.065 2.165 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 17.215 -5.167 3.112 1.00 0.00 WAT1 END