REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -566.884, 69.4544, 103.311, 55.6157, 550.401, -527.91, -820.085, 2.04134, 0.287927 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.071686E-03,0.446917,1.22767,41.8894,3.636085E-03,0.178697 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 42, 8 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:29 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.076 -10.664 -7.179 1.00 61.44 ATOM 2 CB MET 1 8.652 -11.963 -6.528 1.00 11.42 ATOM 3 HB1 MET 1 8.468 -12.754 -7.243 1.00 37.30 ATOM 4 HB2 MET 1 8.983 -12.404 -5.598 1.00 55.12 ATOM 5 CG MET 1 9.772 -11.087 -7.065 1.00 42.13 ATOM 6 HG1 MET 1 10.628 -11.710 -7.281 1.00 37.30 ATOM 7 HG2 MET 1 10.039 -10.360 -6.311 1.00 5.11 ATOM 8 SD MET 1 9.296 -10.214 -8.570 1.00 73.44 ATOM 9 CE MET 1 10.828 -9.376 -8.978 1.00 15.01 ATOM 10 HE1 MET 1 10.686 -8.782 -9.868 1.00 73.45 ATOM 11 HE2 MET 1 11.603 -10.108 -9.154 1.00 50.32 ATOM 12 HE3 MET 1 11.118 -8.735 -8.158 1.00 71.34 ATOM 13 C MET 1 6.216 -12.200 -5.960 1.00 71.33 ATOM 14 O MET 1 5.226 -12.278 -6.685 1.00 22.14 ATOM 15 N MET 1 7.513 -10.204 -5.186 1.00 20.14 ATOM 16 HT1 MET 1 7.773 -10.679 -4.297 1.00 37.30 ATOM 17 HT2 MET 1 6.626 -9.681 -5.034 1.00 37.30 ATOM 18 HT3 MET 1 8.260 -9.521 -5.431 1.00 37.30 ATOM 19 CA MET 1 7.341 -11.203 -6.279 1.00 34.52 ATOM 20 N ALA 2 6.378 -12.966 -4.879 1.00 34.02 ATOM 21 HN ALA 2 7.195 -12.871 -4.346 1.00 37.30 ATOM 22 CA ALA 2 5.372 -13.953 -4.466 1.00 42.15 ATOM 23 HA ALA 2 5.094 -14.526 -5.341 1.00 11.30 ATOM 24 CB ALA 2 5.968 -14.917 -3.445 1.00 21.23 ATOM 25 HB1 ALA 2 5.242 -15.680 -3.200 1.00 74.54 ATOM 26 HB2 ALA 2 6.234 -14.374 -2.550 1.00 14.05 ATOM 27 HB3 ALA 2 6.852 -15.379 -3.859 1.00 63.13 ATOM 28 C ALA 2 4.115 -13.279 -3.896 1.00 44.32 ATOM 29 O ALA 2 3.001 -13.532 -4.356 1.00 22.35 ATOM 30 N ALA 3 4.295 -12.431 -2.883 1.00 35.10 ATOM 31 HN ALA 3 5.196 -12.308 -2.514 1.00 37.30 ATOM 32 CA ALA 3 3.177 -11.681 -2.300 1.00 24.54 ATOM 33 HA ALA 3 2.290 -12.298 -2.371 1.00 34.02 ATOM 34 CB ALA 3 3.435 -11.398 -0.824 1.00 22.20 ATOM 35 HB1 ALA 3 2.588 -10.874 -0.403 1.00 71.44 ATOM 36 HB2 ALA 3 4.320 -10.787 -0.721 1.00 71.15 ATOM 37 HB3 ALA 3 3.579 -12.330 -0.297 1.00 3.42 ATOM 38 C ALA 3 2.930 -10.373 -3.063 1.00 3.35 ATOM 39 O ALA 3 3.705 -9.422 -2.952 1.00 53.01 ATOM 40 N SER 4 1.855 -10.331 -3.843 1.00 40.31 ATOM 41 HN SER 4 1.263 -11.115 -3.880 1.00 37.30 ATOM 42 CA SER 4 1.526 -9.147 -4.648 1.00 54.11 ATOM 43 HA SER 4 2.225 -8.363 -4.392 1.00 15.40 ATOM 44 CB SER 4 1.659 -9.465 -6.147 1.00 35.21 ATOM 45 HB1 SER 4 1.416 -8.583 -6.724 1.00 37.30 ATOM 46 HB2 SER 4 0.977 -10.261 -6.405 1.00 63.14 ATOM 47 OG SER 4 2.980 -9.875 -6.480 1.00 21.13 ATOM 48 HG SER 4 3.016 -10.112 -7.418 1.00 13.43 ATOM 49 C SER 4 0.106 -8.658 -4.348 1.00 11.13 ATOM 50 O SER 4 -0.842 -9.446 -4.351 1.00 44.25 ATOM 51 N THR 5 -0.037 -7.359 -4.079 1.00 1.21 ATOM 52 HN THR 5 0.760 -6.790 -4.049 1.00 37.30 ATOM 53 CA THR 5 -1.351 -6.756 -3.815 1.00 30.24 ATOM 54 HA THR 5 -1.787 -7.266 -2.964 1.00 32.41 ATOM 55 CB THR 5 -1.227 -5.249 -3.464 1.00 54.12 ATOM 56 HB THR 5 -0.728 -4.746 -4.280 1.00 52.35 ATOM 57 OG1 THR 5 -0.447 -5.082 -2.271 1.00 62.35 ATOM 58 HG1 THR 5 -0.948 -4.553 -1.633 1.00 32.53 ATOM 59 CG2 THR 5 -2.601 -4.609 -3.265 1.00 24.10 ATOM 60 HG21 THR 5 -3.125 -5.121 -2.471 1.00 2.01 ATOM 61 HG22 THR 5 -3.171 -4.684 -4.180 1.00 72.20 ATOM 62 HG23 THR 5 -2.479 -3.567 -3.003 1.00 62.33 ATOM 63 C THR 5 -2.286 -6.910 -5.021 1.00 10.23 ATOM 64 O THR 5 -2.065 -6.311 -6.074 1.00 0.03 ATOM 65 N VAL 6 -3.323 -7.727 -4.868 1.00 42.14 ATOM 66 HN VAL 6 -3.427 -8.213 -4.021 1.00 37.30 ATOM 67 CA VAL 6 -4.303 -7.933 -5.937 1.00 14.44 ATOM 68 HA VAL 6 -3.748 -8.098 -6.853 1.00 72.23 ATOM 69 CB VAL 6 -5.171 -9.196 -5.674 1.00 40.43 ATOM 70 HB VAL 6 -4.515 -10.056 -5.680 1.00 11.20 ATOM 71 CG1 VAL 6 -5.846 -9.139 -4.302 1.00 63.23 ATOM 72 HG11 VAL 6 -5.092 -9.064 -3.530 1.00 4.34 ATOM 73 HG12 VAL 6 -6.427 -10.037 -4.148 1.00 24.20 ATOM 74 HG13 VAL 6 -6.497 -8.278 -4.253 1.00 2.34 ATOM 75 CG2 VAL 6 -6.205 -9.388 -6.787 1.00 71.32 ATOM 76 HG21 VAL 6 -6.864 -8.531 -6.822 1.00 3.12 ATOM 77 HG22 VAL 6 -6.787 -10.279 -6.593 1.00 23.23 ATOM 78 HG23 VAL 6 -5.701 -9.491 -7.737 1.00 71.30 ATOM 79 C VAL 6 -5.196 -6.688 -6.132 1.00 11.41 ATOM 80 O VAL 6 -6.210 -6.509 -5.455 1.00 61.22 ATOM 81 N HIS 7 -4.791 -5.806 -7.046 1.00 15.31 ATOM 82 HN HIS 7 -3.960 -5.980 -7.538 1.00 37.30 ATOM 83 CA HIS 7 -5.555 -4.585 -7.337 1.00 31.32 ATOM 84 HA HIS 7 -6.436 -4.597 -6.707 1.00 62.23 ATOM 85 CB HIS 7 -4.732 -3.330 -6.989 1.00 51.24 ATOM 86 HB1 HIS 7 -4.679 -3.234 -5.913 1.00 37.30 ATOM 87 HB2 HIS 7 -5.229 -2.459 -7.392 1.00 61.13 ATOM 88 CG HIS 7 -3.327 -3.336 -7.519 1.00 50.32 ATOM 89 ND1 HIS 7 -3.023 -3.220 -8.859 1.00 54.15 ATOM 90 HD1 HIS 7 -3.674 -3.113 -9.586 1.00 24.44 ATOM 91 CD2 HIS 7 -2.137 -3.444 -6.879 1.00 33.31 ATOM 92 HD2 HIS 7 -1.990 -3.553 -5.813 1.00 62.24 ATOM 93 CE1 HIS 7 -1.716 -3.255 -9.020 1.00 1.20 ATOM 94 HE1 HIS 7 -1.193 -3.184 -9.962 1.00 1.25 ATOM 95 NE2 HIS 7 -1.157 -3.389 -7.836 1.00 42.24 ATOM 96 HE2 HIS 7 -0.189 -3.469 -7.672 1.00 37.30 ATOM 97 C HIS 7 -6.028 -4.546 -8.801 1.00 45.02 ATOM 98 O HIS 7 -5.376 -3.966 -9.669 1.00 51.32 ATOM 99 N THR 8 -7.157 -5.192 -9.066 1.00 30.42 ATOM 100 HN THR 8 -7.608 -5.678 -8.341 1.00 37.30 ATOM 101 CA THR 8 -7.749 -5.209 -10.409 1.00 3.04 ATOM 102 HA THR 8 -6.959 -5.033 -11.130 1.00 20.53 ATOM 103 CB THR 8 -8.401 -6.580 -10.725 1.00 11.41 ATOM 104 HB THR 8 -9.236 -6.729 -10.054 1.00 32.53 ATOM 105 OG1 THR 8 -7.452 -7.636 -10.521 1.00 21.32 ATOM 106 HG1 THR 8 -7.421 -7.856 -9.585 1.00 63.53 ATOM 107 CG2 THR 8 -8.916 -6.634 -12.162 1.00 75.04 ATOM 108 HG21 THR 8 -9.380 -7.593 -12.343 1.00 53.32 ATOM 109 HG22 THR 8 -8.091 -6.500 -12.847 1.00 44.44 ATOM 110 HG23 THR 8 -9.643 -5.849 -12.316 1.00 51.32 ATOM 111 C THR 8 -8.810 -4.110 -10.549 1.00 51.20 ATOM 112 O THR 8 -9.911 -4.226 -10.009 1.00 32.55 ATOM 113 N SER 9 -8.465 -3.030 -11.242 1.00 23.33 ATOM 114 HN SER 9 -7.560 -2.973 -11.616 1.00 37.30 ATOM 115 CA SER 9 -9.402 -1.918 -11.458 1.00 11.04 ATOM 116 HA SER 9 -9.953 -1.769 -10.538 1.00 60.01 ATOM 117 CB SER 9 -8.634 -0.628 -11.786 1.00 1.22 ATOM 118 HB1 SER 9 -9.335 0.171 -11.981 1.00 37.30 ATOM 119 HB2 SER 9 -8.020 -0.790 -12.659 1.00 71.12 ATOM 120 OG SER 9 -7.790 -0.244 -10.707 1.00 71.31 ATOM 121 HG SER 9 -8.337 -0.025 -9.939 1.00 64.31 ATOM 122 C SER 9 -10.404 -2.246 -12.578 1.00 32.24 ATOM 123 O SER 9 -10.137 -3.087 -13.436 1.00 4.41 ATOM 124 N PHE 10 -11.557 -1.578 -12.571 1.00 73.33 ATOM 125 HN PHE 10 -11.682 -0.850 -11.927 1.00 37.30 ATOM 126 CA PHE 10 -12.640 -1.886 -13.519 1.00 72.14 ATOM 127 HA PHE 10 -12.297 -2.683 -14.166 1.00 4.11 ATOM 128 CB PHE 10 -13.886 -2.369 -12.760 1.00 4.32 ATOM 129 HB1 PHE 10 -14.680 -2.557 -13.471 1.00 37.30 ATOM 130 HB2 PHE 10 -14.203 -1.597 -12.074 1.00 64.14 ATOM 131 CG PHE 10 -13.660 -3.635 -11.967 1.00 41.54 ATOM 132 CD1 PHE 10 -13.773 -4.880 -12.573 1.00 71.34 ATOM 133 HD1 PHE 10 -14.025 -4.939 -13.622 1.00 64.34 ATOM 134 CD2 PHE 10 -13.335 -3.579 -10.617 1.00 55.21 ATOM 135 HD2 PHE 10 -13.242 -2.616 -10.133 1.00 1.32 ATOM 136 CE1 PHE 10 -13.568 -6.040 -11.849 1.00 42.45 ATOM 137 HE1 PHE 10 -13.662 -7.003 -12.331 1.00 41.00 ATOM 138 CE2 PHE 10 -13.128 -4.736 -9.891 1.00 3.01 ATOM 139 HE2 PHE 10 -12.875 -4.677 -8.841 1.00 31.12 ATOM 140 CZ PHE 10 -13.245 -5.968 -10.507 1.00 3.31 ATOM 141 HZ PHE 10 -13.086 -6.874 -9.940 1.00 52.33 ATOM 142 C PHE 10 -12.997 -0.671 -14.389 1.00 12.35 ATOM 143 O PHE 10 -13.253 0.421 -13.878 1.00 73.12 ATOM 144 N ILE 11 -13.012 -0.867 -15.705 1.00 41.23 ATOM 145 HN ILE 11 -12.804 -1.760 -16.053 1.00 37.30 ATOM 146 CA ILE 11 -13.339 0.207 -16.650 1.00 53.22 ATOM 147 HA ILE 11 -13.335 1.147 -16.112 1.00 72.43 ATOM 148 CB ILE 11 -12.287 0.288 -17.788 1.00 1.30 ATOM 149 HB ILE 11 -12.376 -0.605 -18.390 1.00 62.30 ATOM 150 CG1 ILE 11 -10.863 0.356 -17.205 1.00 20.34 ATOM 151 HG11 ILE 11 -10.659 -0.560 -16.666 1.00 37.30 ATOM 152 HG12 ILE 11 -10.796 1.189 -16.521 1.00 51.54 ATOM 153 CG2 ILE 11 -12.562 1.491 -18.696 1.00 62.21 ATOM 154 HG21 ILE 11 -11.812 1.539 -19.472 1.00 73.15 ATOM 155 HG22 ILE 11 -12.534 2.400 -18.114 1.00 0.21 ATOM 156 HG23 ILE 11 -13.538 1.385 -19.149 1.00 5.03 ATOM 157 CD1 ILE 11 -9.777 0.525 -18.252 1.00 62.21 ATOM 158 HD11 ILE 11 -8.813 0.556 -17.768 1.00 50.42 ATOM 159 HD12 ILE 11 -9.938 1.447 -18.791 1.00 0.11 ATOM 160 HD13 ILE 11 -9.807 -0.307 -18.942 1.00 3.12 ATOM 161 C ILE 11 -14.729 -0.009 -17.269 1.00 70.03 ATOM 162 O ILE 11 -15.134 -1.143 -17.517 1.00 60.54 ATOM 163 N LEU 12 -15.461 1.075 -17.510 1.00 63.13 ATOM 164 HN LEU 12 -15.108 1.955 -17.267 1.00 37.30 ATOM 165 CA LEU 12 -16.790 0.979 -18.129 1.00 11.34 ATOM 166 HA LEU 12 -17.094 -0.059 -18.105 1.00 3.33 ATOM 167 CB LEU 12 -17.811 1.811 -17.338 1.00 44.33 ATOM 168 HB1 LEU 12 -17.517 2.849 -17.396 1.00 37.30 ATOM 169 HB2 LEU 12 -17.770 1.502 -16.302 1.00 44.01 ATOM 170 CG LEU 12 -19.269 1.696 -17.824 1.00 21.21 ATOM 171 HG LEU 12 -19.296 1.873 -18.890 1.00 75.42 ATOM 172 CD1 LEU 12 -19.819 0.295 -17.578 1.00 12.40 ATOM 173 HD11 LEU 12 -19.794 0.078 -16.519 1.00 12.45 ATOM 174 HD12 LEU 12 -19.216 -0.428 -18.109 1.00 52.13 ATOM 175 HD13 LEU 12 -20.838 0.241 -17.932 1.00 64.32 ATOM 176 CD2 LEU 12 -20.152 2.745 -17.155 1.00 22.44 ATOM 177 HD21 LEU 12 -20.157 2.586 -16.085 1.00 55.12 ATOM 178 HD22 LEU 12 -21.160 2.665 -17.534 1.00 2.04 ATOM 179 HD23 LEU 12 -19.767 3.732 -17.370 1.00 11.54 ATOM 180 C LEU 12 -16.765 1.452 -19.592 1.00 64.20 ATOM 181 O LEU 12 -16.285 2.547 -19.895 1.00 31.11 ATOM 182 N LYS 13 -17.273 0.618 -20.495 1.00 21.44 ATOM 183 HN LYS 13 -17.554 -0.273 -20.207 1.00 37.30 ATOM 184 CA LYS 13 -17.422 0.990 -21.906 1.00 65.53 ATOM 185 HA LYS 13 -16.973 1.965 -22.042 1.00 70.43 ATOM 186 CB LYS 13 -16.714 -0.015 -22.829 1.00 70.24 ATOM 187 HB1 LYS 13 -16.872 0.290 -23.855 1.00 37.30 ATOM 188 HB2 LYS 13 -17.161 -0.989 -22.685 1.00 14.45 ATOM 189 CG LYS 13 -15.211 -0.145 -22.596 1.00 50.13 ATOM 190 HG1 LYS 13 -15.045 -0.690 -21.677 1.00 37.30 ATOM 191 HG2 LYS 13 -14.783 0.843 -22.511 1.00 72.14 ATOM 192 CD LYS 13 -14.523 -0.886 -23.748 1.00 24.11 ATOM 193 HD1 LYS 13 -13.492 -1.071 -23.477 1.00 37.30 ATOM 194 HD2 LYS 13 -14.553 -0.262 -24.631 1.00 51.04 ATOM 195 CE LYS 13 -15.199 -2.219 -24.066 1.00 11.21 ATOM 196 HE1 LYS 13 -14.709 -2.662 -24.923 1.00 37.30 ATOM 197 HE2 LYS 13 -16.236 -2.035 -24.307 1.00 24.43 ATOM 198 NZ LYS 13 -15.134 -3.170 -22.930 1.00 2.32 ATOM 199 HZ1 LYS 13 -15.414 -2.697 -22.045 1.00 1.21 ATOM 200 HZ2 LYS 13 -14.164 -3.527 -22.812 1.00 14.24 ATOM 201 HZ3 LYS 13 -15.768 -3.977 -23.091 1.00 54.32 ATOM 202 C LYS 13 -18.904 1.076 -22.303 1.00 0.14 ATOM 203 O LYS 13 -19.723 0.265 -21.866 1.00 24.12 ATOM 204 N VAL 14 -19.241 2.051 -23.145 1.00 71.30 ATOM 205 HN VAL 14 -18.549 2.677 -23.447 1.00 37.30 ATOM 206 CA VAL 14 -20.617 2.225 -23.625 1.00 3.10 ATOM 207 HA VAL 14 -21.193 1.363 -23.312 1.00 20.13 ATOM 208 CB VAL 14 -21.271 3.491 -23.012 1.00 13.54 ATOM 209 HB VAL 14 -20.651 4.344 -23.257 1.00 73.13 ATOM 210 CG1 VAL 14 -22.658 3.733 -23.604 1.00 75.55 ATOM 211 HG11 VAL 14 -23.282 2.867 -23.431 1.00 11.12 ATOM 212 HG12 VAL 14 -22.572 3.907 -24.667 1.00 63.35 ATOM 213 HG13 VAL 14 -23.104 4.598 -23.135 1.00 31.45 ATOM 214 CG2 VAL 14 -21.343 3.381 -21.487 1.00 53.53 ATOM 215 HG21 VAL 14 -20.349 3.233 -21.088 1.00 51.44 ATOM 216 HG22 VAL 14 -21.967 2.544 -21.211 1.00 33.03 ATOM 217 HG23 VAL 14 -21.761 4.292 -21.078 1.00 42.22 ATOM 218 C VAL 14 -20.671 2.318 -25.159 1.00 3.14 ATOM 219 O VAL 14 -20.096 3.226 -25.758 1.00 43.21 ATOM 220 N LEU 15 -21.370 1.378 -25.787 1.00 12.33 ATOM 221 HN LEU 15 -21.789 0.669 -25.259 1.00 37.30 ATOM 222 CA LEU 15 -21.541 1.376 -27.242 1.00 14.34 ATOM 223 HA LEU 15 -20.616 1.713 -27.692 1.00 74.04 ATOM 224 CB LEU 15 -21.858 -0.051 -27.735 1.00 51.04 ATOM 225 HB1 LEU 15 -22.931 -0.187 -27.721 1.00 37.30 ATOM 226 HB2 LEU 15 -21.422 -0.752 -27.036 1.00 55.05 ATOM 227 CG LEU 15 -21.348 -0.409 -29.147 1.00 60.32 ATOM 228 HG LEU 15 -20.268 -0.333 -29.157 1.00 61.03 ATOM 229 CD1 LEU 15 -21.711 -1.848 -29.501 1.00 74.41 ATOM 230 HD11 LEU 15 -22.786 -1.961 -29.501 1.00 65.15 ATOM 231 HD12 LEU 15 -21.279 -2.520 -28.772 1.00 32.21 ATOM 232 HD13 LEU 15 -21.326 -2.087 -30.482 1.00 65.54 ATOM 233 CD2 LEU 15 -21.894 0.548 -30.204 1.00 41.12 ATOM 234 HD21 LEU 15 -21.573 1.555 -29.982 1.00 15.02 ATOM 235 HD22 LEU 15 -22.974 0.507 -30.206 1.00 72.32 ATOM 236 HD23 LEU 15 -21.522 0.260 -31.177 1.00 22.14 ATOM 237 C LEU 15 -22.671 2.346 -27.624 1.00 40.30 ATOM 238 O LEU 15 -23.842 2.095 -27.331 1.00 64.03 ATOM 239 N TRP 16 -22.307 3.451 -28.267 1.00 41.45 ATOM 240 HN TRP 16 -21.373 3.548 -28.555 1.00 37.30 ATOM 241 CA TRP 16 -23.260 4.527 -28.568 1.00 32.51 ATOM 242 HA TRP 16 -24.110 4.414 -27.907 1.00 51.40 ATOM 243 CB TRP 16 -22.594 5.886 -28.293 1.00 72.21 ATOM 244 HB1 TRP 16 -21.884 6.095 -29.082 1.00 37.30 ATOM 245 HB2 TRP 16 -22.067 5.832 -27.352 1.00 72.21 ATOM 246 CG TRP 16 -23.553 7.041 -28.212 1.00 21.11 ATOM 247 CD1 TRP 16 -23.933 7.873 -29.227 1.00 21.11 ATOM 248 HD1 TRP 16 -23.583 7.792 -30.245 1.00 31.31 ATOM 249 CD2 TRP 16 -24.244 7.495 -27.041 1.00 31.25 ATOM 250 NE1 TRP 16 -24.818 8.815 -28.757 1.00 4.32 ATOM 251 HE1 TRP 16 -25.234 9.522 -29.293 1.00 50.52 ATOM 252 CE2 TRP 16 -25.024 8.604 -27.419 1.00 24.22 ATOM 253 CE3 TRP 16 -24.279 7.069 -25.710 1.00 33.14 ATOM 254 HE3 TRP 16 -23.695 6.222 -25.378 1.00 5.34 ATOM 255 CZ2 TRP 16 -25.830 9.294 -26.513 1.00 51.13 ATOM 256 HZ2 TRP 16 -26.427 10.144 -26.808 1.00 2.44 ATOM 257 CZ3 TRP 16 -25.076 7.755 -24.811 1.00 11.21 ATOM 258 HZ3 TRP 16 -25.113 7.441 -23.777 1.00 3.42 ATOM 259 CH2 TRP 16 -25.843 8.856 -25.216 1.00 64.11 ATOM 260 HH2 TRP 16 -26.451 9.364 -24.480 1.00 62.32 ATOM 261 C TRP 16 -23.750 4.452 -30.026 1.00 32.43 ATOM 262 O TRP 16 -23.012 4.773 -30.962 1.00 22.13 ATOM 263 N LEU 17 -24.998 4.022 -30.211 1.00 72.44 ATOM 264 HN LEU 17 -25.538 3.783 -29.425 1.00 37.30 ATOM 265 CA LEU 17 -25.599 3.904 -31.548 1.00 25.41 ATOM 266 HA LEU 17 -24.812 4.017 -32.281 1.00 72.35 ATOM 267 CB LEU 17 -26.233 2.513 -31.711 1.00 4.55 ATOM 268 HB1 LEU 17 -26.741 2.477 -32.665 1.00 37.30 ATOM 269 HB2 LEU 17 -26.967 2.384 -30.927 1.00 53.23 ATOM 270 CG LEU 17 -25.244 1.336 -31.646 1.00 13.23 ATOM 271 HG LEU 17 -24.681 1.400 -30.725 1.00 21.31 ATOM 272 CD1 LEU 17 -25.986 0.003 -31.644 1.00 73.02 ATOM 273 HD11 LEU 17 -26.547 -0.103 -32.561 1.00 33.45 ATOM 274 HD12 LEU 17 -26.664 -0.030 -30.802 1.00 10.43 ATOM 275 HD13 LEU 17 -25.274 -0.804 -31.560 1.00 23.52 ATOM 276 CD2 LEU 17 -24.251 1.400 -32.807 1.00 12.45 ATOM 277 HD21 LEU 17 -24.786 1.357 -33.746 1.00 60.31 ATOM 278 HD22 LEU 17 -23.568 0.566 -32.744 1.00 33.12 ATOM 279 HD23 LEU 17 -23.694 2.324 -32.754 1.00 73.42 ATOM 280 C LEU 17 -26.651 5.000 -31.788 1.00 21.31 ATOM 281 O LEU 17 -26.821 5.902 -30.968 1.00 54.52 ATOM 282 N ASP 18 -27.355 4.914 -32.919 1.00 24.41 ATOM 283 HN ASP 18 -27.176 4.170 -33.534 1.00 37.30 ATOM 284 CA ASP 18 -28.375 5.907 -33.287 1.00 52.41 ATOM 285 HA ASP 18 -27.884 6.864 -33.397 1.00 54.24 ATOM 286 CB ASP 18 -29.019 5.521 -34.623 1.00 42.44 ATOM 287 HB1 ASP 18 -29.616 6.347 -34.982 1.00 37.30 ATOM 288 HB2 ASP 18 -29.659 4.662 -34.472 1.00 23.50 ATOM 289 CG ASP 18 -27.990 5.171 -35.679 1.00 41.24 ATOM 290 OD1 ASP 18 -27.648 6.040 -36.505 1.00 34.30 ATOM 291 OD2 ASP 18 -27.514 4.016 -35.676 1.00 15.31 ATOM 292 C ASP 18 -29.468 6.027 -32.208 1.00 5.32 ATOM 293 O ASP 18 -29.648 7.082 -31.595 1.00 55.11 ATOM 294 N GLN 19 -30.209 4.938 -32.000 1.00 43.35 ATOM 295 HN GLN 19 -30.045 4.143 -32.551 1.00 37.30 ATOM 296 CA GLN 19 -31.277 4.899 -30.992 1.00 42.32 ATOM 297 HA GLN 19 -31.252 5.829 -30.441 1.00 55.20 ATOM 298 CB GLN 19 -32.646 4.768 -31.681 1.00 32.24 ATOM 299 HB1 GLN 19 -33.421 4.804 -30.927 1.00 37.30 ATOM 300 HB2 GLN 19 -32.693 3.814 -32.186 1.00 1.12 ATOM 301 CG GLN 19 -32.926 5.863 -32.704 1.00 23.42 ATOM 302 HG1 GLN 19 -32.171 5.820 -33.477 1.00 37.30 ATOM 303 HG2 GLN 19 -32.876 6.822 -32.209 1.00 65.10 ATOM 304 CD GLN 19 -34.293 5.724 -33.351 1.00 21.04 ATOM 305 OE1 GLN 19 -35.277 6.275 -32.874 1.00 11.52 ATOM 306 NE2 GLN 19 -34.369 4.975 -34.432 1.00 51.34 ATOM 307 HE21 GLN 19 -33.549 4.551 -34.759 1.00 20.35 ATOM 308 HE22 GLN 19 -35.241 4.875 -34.861 1.00 52.13 ATOM 309 C GLN 19 -31.071 3.741 -29.999 1.00 42.54 ATOM 310 O GLN 19 -31.942 3.446 -29.183 1.00 65.04 ATOM 311 N ASN 20 -29.921 3.073 -30.093 1.00 22.31 ATOM 312 HN ASN 20 -29.289 3.323 -30.796 1.00 37.30 ATOM 313 CA ASN 20 -29.554 1.990 -29.164 1.00 11.54 ATOM 314 HA ASN 20 -30.375 1.842 -28.476 1.00 40.13 ATOM 315 CB ASN 20 -29.286 0.677 -29.925 1.00 75.53 ATOM 316 HB1 ASN 20 -28.823 -0.030 -29.249 1.00 37.30 ATOM 317 HB2 ASN 20 -28.604 0.880 -30.735 1.00 54.45 ATOM 318 CG ASN 20 -30.530 0.025 -30.518 1.00 14.03 ATOM 319 OD1 ASN 20 -30.625 -1.196 -30.589 1.00 51.01 ATOM 320 ND2 ASN 20 -31.477 0.814 -30.975 1.00 50.15 ATOM 321 HD21 ASN 20 -31.347 1.775 -30.917 1.00 12.40 ATOM 322 HD22 ASN 20 -32.276 0.395 -31.359 1.00 25.14 ATOM 323 C ASN 20 -28.296 2.369 -28.360 1.00 44.33 ATOM 324 O ASN 20 -27.449 3.125 -28.839 1.00 2.41 ATOM 325 N VAL 21 -28.173 1.836 -27.149 1.00 32.53 ATOM 326 HN VAL 21 -28.891 1.263 -26.801 1.00 37.30 ATOM 327 CA VAL 21 -27.002 2.097 -26.303 1.00 45.24 ATOM 328 HA VAL 21 -26.153 2.267 -26.953 1.00 60.44 ATOM 329 CB VAL 21 -27.215 3.371 -25.444 1.00 22.44 ATOM 330 HB VAL 21 -27.263 4.223 -26.113 1.00 31.40 ATOM 331 CG1 VAL 21 -28.533 3.300 -24.687 1.00 33.44 ATOM 332 HG11 VAL 21 -28.518 2.455 -24.013 1.00 3.14 ATOM 333 HG12 VAL 21 -29.348 3.186 -25.388 1.00 23.23 ATOM 334 HG13 VAL 21 -28.673 4.208 -24.118 1.00 0.22 ATOM 335 CG2 VAL 21 -26.054 3.594 -24.477 1.00 74.14 ATOM 336 HG21 VAL 21 -25.136 3.713 -25.035 1.00 12.42 ATOM 337 HG22 VAL 21 -25.966 2.745 -23.815 1.00 61.14 ATOM 338 HG23 VAL 21 -26.240 4.485 -23.895 1.00 73.51 ATOM 339 C VAL 21 -26.692 0.889 -25.402 1.00 71.30 ATOM 340 O VAL 21 -27.568 0.375 -24.712 1.00 43.24 ATOM 341 N ALA 22 -25.443 0.430 -25.420 1.00 73.25 ATOM 342 HN ALA 22 -24.764 0.912 -25.940 1.00 37.30 ATOM 343 CA ALA 22 -25.055 -0.776 -24.677 1.00 4.41 ATOM 344 HA ALA 22 -25.922 -1.126 -24.130 1.00 51.32 ATOM 345 CB ALA 22 -24.649 -1.873 -25.653 1.00 44.44 ATOM 346 HB1 ALA 22 -25.442 -2.029 -26.372 1.00 12.11 ATOM 347 HB2 ALA 22 -24.470 -2.791 -25.112 1.00 51.53 ATOM 348 HB3 ALA 22 -23.748 -1.580 -26.172 1.00 44.51 ATOM 349 C ALA 22 -23.919 -0.504 -23.678 1.00 1.03 ATOM 350 O ALA 22 -23.008 0.266 -23.964 1.00 34.35 ATOM 351 N ILE 23 -23.973 -1.152 -22.512 1.00 1.54 ATOM 352 HN ILE 23 -24.727 -1.756 -22.339 1.00 37.30 ATOM 353 CA ILE 23 -22.939 -0.979 -21.474 1.00 31.33 ATOM 354 HA ILE 23 -22.249 -0.217 -21.815 1.00 72.12 ATOM 355 CB ILE 23 -23.561 -0.494 -20.135 1.00 24.45 ATOM 356 HB ILE 23 -22.766 -0.414 -19.403 1.00 35.43 ATOM 357 CG1 ILE 23 -24.611 -1.500 -19.625 1.00 1.42 ATOM 358 HG11 ILE 23 -24.140 -2.462 -19.477 1.00 37.30 ATOM 359 HG12 ILE 23 -25.393 -1.600 -20.362 1.00 44.34 ATOM 360 CG2 ILE 23 -24.178 0.897 -20.302 1.00 22.22 ATOM 361 HG21 ILE 23 -23.412 1.599 -20.601 1.00 55.14 ATOM 362 HG22 ILE 23 -24.609 1.218 -19.366 1.00 42.44 ATOM 363 HG23 ILE 23 -24.948 0.862 -21.060 1.00 4.53 ATOM 364 CD1 ILE 23 -25.262 -1.099 -18.316 1.00 64.44 ATOM 365 HD11 ILE 23 -24.505 -0.997 -17.553 1.00 23.32 ATOM 366 HD12 ILE 23 -25.970 -1.859 -18.020 1.00 42.33 ATOM 367 HD13 ILE 23 -25.777 -0.158 -18.441 1.00 55.52 ATOM 368 C ILE 23 -22.145 -2.279 -21.224 1.00 63.01 ATOM 369 O ILE 23 -22.676 -3.381 -21.377 1.00 11.15 ATOM 370 N ALA 24 -20.869 -2.134 -20.846 1.00 43.34 ATOM 371 HN ALA 24 -20.502 -1.228 -20.762 1.00 37.30 ATOM 372 CA ALA 24 -19.992 -3.283 -20.559 1.00 2.14 ATOM 373 HA ALA 24 -20.581 -4.035 -20.050 1.00 65.43 ATOM 374 CB ALA 24 -19.471 -3.885 -21.860 1.00 32.14 ATOM 375 HB1 ALA 24 -18.895 -4.774 -21.644 1.00 50.53 ATOM 376 HB2 ALA 24 -18.845 -3.166 -22.367 1.00 31.20 ATOM 377 HB3 ALA 24 -20.306 -4.144 -22.496 1.00 62.34 ATOM 378 C ALA 24 -18.815 -2.879 -19.652 1.00 61.33 ATOM 379 O ALA 24 -18.434 -1.714 -19.611 1.00 72.32 ATOM 380 N VAL 25 -18.235 -3.845 -18.936 1.00 35.21 ATOM 381 HN VAL 25 -18.560 -4.765 -19.028 1.00 37.30 ATOM 382 CA VAL 25 -17.119 -3.568 -18.011 1.00 51.50 ATOM 383 HA VAL 25 -16.885 -2.514 -18.080 1.00 50.05 ATOM 384 CB VAL 25 -17.522 -3.875 -16.539 1.00 21.34 ATOM 385 HB VAL 25 -17.802 -4.918 -16.475 1.00 42.22 ATOM 386 CG1 VAL 25 -16.357 -3.635 -15.578 1.00 21.53 ATOM 387 HG11 VAL 25 -15.532 -4.281 -15.843 1.00 75.53 ATOM 388 HG12 VAL 25 -16.669 -3.852 -14.566 1.00 53.35 ATOM 389 HG13 VAL 25 -16.040 -2.603 -15.642 1.00 41.51 ATOM 390 CG2 VAL 25 -18.730 -3.036 -16.128 1.00 63.35 ATOM 391 HG21 VAL 25 -19.565 -3.265 -16.775 1.00 60.33 ATOM 392 HG22 VAL 25 -18.488 -1.986 -16.215 1.00 51.13 ATOM 393 HG23 VAL 25 -18.998 -3.260 -15.105 1.00 62.42 ATOM 394 C VAL 25 -15.856 -4.375 -18.376 1.00 70.24 ATOM 395 O VAL 25 -15.944 -5.463 -18.957 1.00 54.34 ATOM 396 N ASP 26 -14.685 -3.826 -18.042 1.00 32.25 ATOM 397 HN ASP 26 -14.686 -2.937 -17.631 1.00 37.30 ATOM 398 CA ASP 26 -13.395 -4.488 -18.283 1.00 44.40 ATOM 399 HA ASP 26 -13.589 -5.483 -18.655 1.00 4.34 ATOM 400 CB ASP 26 -12.589 -3.711 -19.327 1.00 70.00 ATOM 401 HB1 ASP 26 -11.685 -4.260 -19.557 1.00 37.30 ATOM 402 HB2 ASP 26 -12.321 -2.743 -18.925 1.00 62.30 ATOM 403 CG ASP 26 -13.366 -3.505 -20.607 1.00 23.11 ATOM 404 OD1 ASP 26 -14.132 -2.523 -20.687 1.00 24.22 ATOM 405 OD2 ASP 26 -13.229 -4.328 -21.537 1.00 52.35 ATOM 406 C ASP 26 -12.576 -4.592 -16.988 1.00 23.32 ATOM 407 O ASP 26 -12.635 -3.712 -16.129 1.00 53.13 ATOM 408 N GLN 27 -11.802 -5.664 -16.862 1.00 33.41 ATOM 409 HN GLN 27 -11.809 -6.339 -17.572 1.00 37.30 ATOM 410 CA GLN 27 -10.933 -5.862 -15.701 1.00 45.25 ATOM 411 HA GLN 27 -11.237 -5.160 -14.934 1.00 40.54 ATOM 412 CB GLN 27 -11.092 -7.293 -15.151 1.00 61.44 ATOM 413 HB1 GLN 27 -12.131 -7.452 -14.897 1.00 37.30 ATOM 414 HB2 GLN 27 -10.497 -7.388 -14.254 1.00 41.30 ATOM 415 CG GLN 27 -10.667 -8.391 -16.124 1.00 30.14 ATOM 416 HG1 GLN 27 -9.619 -8.266 -16.354 1.00 37.30 ATOM 417 HG2 GLN 27 -11.244 -8.291 -17.032 1.00 53.34 ATOM 418 CD GLN 27 -10.879 -9.789 -15.568 1.00 73.03 ATOM 419 OE1 GLN 27 -11.916 -10.405 -15.778 1.00 60.23 ATOM 420 NE2 GLN 27 -9.903 -10.295 -14.842 1.00 4.42 ATOM 421 HE21 GLN 27 -9.101 -9.752 -14.699 1.00 52.14 ATOM 422 HE22 GLN 27 -10.027 -11.190 -14.467 1.00 32.12 ATOM 423 C GLN 27 -9.463 -5.585 -16.063 1.00 3.15 ATOM 424 O GLN 27 -8.932 -6.130 -17.036 1.00 61.23 ATOM 425 N ILE 28 -8.816 -4.718 -15.292 1.00 52.23 ATOM 426 HN ILE 28 -9.301 -4.268 -14.571 1.00 37.30 ATOM 427 CA ILE 28 -7.397 -4.414 -15.494 1.00 4.21 ATOM 428 HA ILE 28 -7.202 -4.455 -16.560 1.00 1.31 ATOM 429 CB ILE 28 -7.040 -2.988 -14.995 1.00 31.24 ATOM 430 HB ILE 28 -7.308 -2.920 -13.949 1.00 63.11 ATOM 431 CG1 ILE 28 -7.846 -1.943 -15.788 1.00 21.11 ATOM 432 HG11 ILE 28 -8.902 -2.116 -15.627 1.00 37.30 ATOM 433 HG12 ILE 28 -7.629 -2.055 -16.840 1.00 51.24 ATOM 434 CG2 ILE 28 -5.536 -2.722 -15.115 1.00 74.03 ATOM 435 HG21 ILE 28 -5.317 -1.720 -14.773 1.00 40.21 ATOM 436 HG22 ILE 28 -5.230 -2.822 -16.147 1.00 74.10 ATOM 437 HG23 ILE 28 -4.994 -3.433 -14.509 1.00 4.32 ATOM 438 CD1 ILE 28 -7.552 -0.506 -15.412 1.00 30.12 ATOM 439 HD11 ILE 28 -8.164 0.152 -16.012 1.00 73.02 ATOM 440 HD12 ILE 28 -6.509 -0.290 -15.592 1.00 30.00 ATOM 441 HD13 ILE 28 -7.777 -0.351 -14.369 1.00 42.24 ATOM 442 C ILE 28 -6.515 -5.463 -14.800 1.00 42.01 ATOM 443 O ILE 28 -6.278 -5.403 -13.592 1.00 53.15 ATOM 444 N VAL 29 -6.057 -6.434 -15.583 1.00 14.25 ATOM 445 HN VAL 29 -6.237 -6.381 -16.544 1.00 37.30 ATOM 446 CA VAL 29 -5.279 -7.565 -15.068 1.00 14.10 ATOM 447 HA VAL 29 -5.676 -7.835 -14.098 1.00 33.31 ATOM 448 CB VAL 29 -5.423 -8.791 -16.015 1.00 22.13 ATOM 449 HB VAL 29 -4.934 -8.550 -16.950 1.00 2.11 ATOM 450 CG1 VAL 29 -4.745 -10.033 -15.435 1.00 24.13 ATOM 451 HG11 VAL 29 -5.195 -10.280 -14.483 1.00 54.54 ATOM 452 HG12 VAL 29 -3.692 -9.839 -15.294 1.00 50.10 ATOM 453 HG13 VAL 29 -4.868 -10.862 -16.117 1.00 74.23 ATOM 454 CG2 VAL 29 -6.897 -9.072 -16.313 1.00 12.42 ATOM 455 HG21 VAL 29 -6.977 -9.916 -16.984 1.00 55.42 ATOM 456 HG22 VAL 29 -7.345 -8.204 -16.776 1.00 15.33 ATOM 457 HG23 VAL 29 -7.416 -9.295 -15.391 1.00 20.02 ATOM 458 C VAL 29 -3.790 -7.203 -14.920 1.00 10.15 ATOM 459 O VAL 29 -3.315 -6.245 -15.528 1.00 64.44 ATOM 460 N GLY 30 -3.056 -7.985 -14.122 1.00 2.33 ATOM 461 HN GLY 30 -3.492 -8.721 -13.645 1.00 37.30 ATOM 462 CA GLY 30 -1.623 -7.752 -13.932 1.00 23.54 ATOM 463 HA1 GLY 30 -1.209 -8.586 -13.381 1.00 37.30 ATOM 464 HA2 GLY 30 -1.495 -6.855 -13.342 1.00 42.53 ATOM 465 C GLY 30 -0.839 -7.592 -15.241 1.00 4.32 ATOM 466 O GLY 30 0.194 -6.925 -15.273 1.00 45.45 ATOM 467 N LYS 31 -1.324 -8.208 -16.324 1.00 24.44 ATOM 468 HN LYS 31 -2.116 -8.775 -16.232 1.00 37.30 ATOM 469 CA LYS 31 -0.693 -8.064 -17.645 1.00 1.51 ATOM 470 HA LYS 31 0.379 -8.062 -17.504 1.00 41.41 ATOM 471 CB LYS 31 -1.074 -9.243 -18.554 1.00 73.34 ATOM 472 HB1 LYS 31 -2.138 -9.210 -18.740 1.00 37.30 ATOM 473 HB2 LYS 31 -0.836 -10.166 -18.044 1.00 75.42 ATOM 474 CG LYS 31 -0.350 -9.237 -19.901 1.00 72.01 ATOM 475 HG1 LYS 31 0.708 -9.379 -19.728 1.00 37.30 ATOM 476 HG2 LYS 31 -0.508 -8.281 -20.378 1.00 14.01 ATOM 477 CD LYS 31 -0.850 -10.340 -20.836 1.00 73.51 ATOM 478 HD1 LYS 31 -0.822 -11.286 -20.312 1.00 37.30 ATOM 479 HD2 LYS 31 -0.199 -10.388 -21.697 1.00 73.45 ATOM 480 CE LYS 31 -2.275 -10.082 -21.314 1.00 53.42 ATOM 481 HE1 LYS 31 -2.301 -9.140 -21.840 1.00 37.30 ATOM 482 HE2 LYS 31 -2.928 -10.031 -20.456 1.00 74.14 ATOM 483 NZ LYS 31 -2.760 -11.154 -22.224 1.00 50.40 ATOM 484 HZ1 LYS 31 -2.103 -11.274 -23.021 1.00 60.24 ATOM 485 HZ2 LYS 31 -3.699 -10.911 -22.599 1.00 55.24 ATOM 486 HZ3 LYS 31 -2.830 -12.055 -21.707 1.00 33.02 ATOM 487 C LYS 31 -1.103 -6.745 -18.322 1.00 60.14 ATOM 488 O LYS 31 -0.304 -6.115 -19.018 1.00 62.15 ATOM 489 N GLY 32 -2.348 -6.333 -18.100 1.00 44.41 ATOM 490 HN GLY 32 -2.900 -6.820 -17.456 1.00 37.30 ATOM 491 CA GLY 32 -2.890 -5.150 -18.761 1.00 3.01 ATOM 492 HA1 GLY 32 -2.655 -5.201 -19.816 1.00 37.30 ATOM 493 HA2 GLY 32 -2.422 -4.271 -18.342 1.00 35.51 ATOM 494 C GLY 32 -4.404 -5.027 -18.599 1.00 13.02 ATOM 495 O GLY 32 -4.898 -4.742 -17.511 1.00 0.25 ATOM 496 N THR 33 -5.149 -5.251 -19.680 1.00 12.03 ATOM 497 HN THR 33 -4.705 -5.468 -20.527 1.00 37.30 ATOM 498 CA THR 33 -6.620 -5.175 -19.641 1.00 74.44 ATOM 499 HA THR 33 -6.922 -5.083 -18.606 1.00 42.11 ATOM 500 CB THR 33 -7.151 -3.938 -20.408 1.00 3.12 ATOM 501 HB THR 33 -8.232 -3.981 -20.423 1.00 14.21 ATOM 502 OG1 THR 33 -6.672 -3.951 -21.760 1.00 23.01 ATOM 503 HG1 THR 33 -7.099 -3.243 -22.259 1.00 2.04 ATOM 504 CG2 THR 33 -6.730 -2.639 -19.725 1.00 35.34 ATOM 505 HG21 THR 33 -7.087 -2.636 -18.703 1.00 60.02 ATOM 506 HG22 THR 33 -7.154 -1.799 -20.255 1.00 11.15 ATOM 507 HG23 THR 33 -5.652 -2.560 -19.730 1.00 64.01 ATOM 508 C THR 33 -7.275 -6.433 -20.228 1.00 51.13 ATOM 509 O THR 33 -6.683 -7.139 -21.046 1.00 23.24 ATOM 510 N SER 34 -8.499 -6.720 -19.789 1.00 25.42 ATOM 511 HN SER 34 -8.903 -6.147 -19.101 1.00 37.30 ATOM 512 CA SER 34 -9.261 -7.875 -20.289 1.00 11.30 ATOM 513 HA SER 34 -9.010 -8.011 -21.333 1.00 3.22 ATOM 514 CB SER 34 -8.882 -9.150 -19.514 1.00 24.01 ATOM 515 HB1 SER 34 -9.481 -9.976 -19.866 1.00 37.30 ATOM 516 HB2 SER 34 -9.070 -8.998 -18.461 1.00 12.22 ATOM 517 OG SER 34 -7.509 -9.481 -19.682 1.00 65.40 ATOM 518 HG SER 34 -7.122 -8.912 -20.361 1.00 71.53 ATOM 519 C SER 34 -10.773 -7.631 -20.164 1.00 70.13 ATOM 520 O SER 34 -11.247 -7.205 -19.113 1.00 31.04 ATOM 521 N PRO 35 -11.556 -7.900 -21.229 1.00 72.13 ATOM 522 CA PRO 35 -13.023 -7.725 -21.204 1.00 71.41 ATOM 523 HA PRO 35 -13.289 -6.686 -21.070 1.00 12.01 ATOM 524 CB PRO 35 -13.466 -8.194 -22.602 1.00 24.41 ATOM 525 HB1 PRO 35 -14.262 -7.559 -22.965 1.00 37.30 ATOM 526 HB2 PRO 35 -13.814 -9.218 -22.552 1.00 3.42 ATOM 527 CG PRO 35 -12.243 -8.074 -23.451 1.00 61.23 ATOM 528 HG1 PRO 35 -12.157 -7.067 -23.836 1.00 37.30 ATOM 529 HG2 PRO 35 -12.287 -8.785 -24.263 1.00 13.03 ATOM 530 CD PRO 35 -11.086 -8.386 -22.540 1.00 0.31 ATOM 531 HD1 PRO 35 -10.199 -7.854 -22.855 1.00 37.30 ATOM 532 HD2 PRO 35 -10.901 -9.451 -22.513 1.00 12.30 ATOM 533 C PRO 35 -13.705 -8.568 -20.107 1.00 72.31 ATOM 534 O PRO 35 -13.613 -9.798 -20.104 1.00 72.54 ATOM 535 N LEU 36 -14.387 -7.901 -19.177 1.00 3.00 ATOM 536 HN LEU 36 -14.448 -6.924 -19.243 1.00 37.30 ATOM 537 CA LEU 36 -15.052 -8.588 -18.062 1.00 65.53 ATOM 538 HA LEU 36 -14.462 -9.461 -17.813 1.00 72.12 ATOM 539 CB LEU 36 -15.114 -7.669 -16.831 1.00 45.12 ATOM 540 HB1 LEU 36 -15.702 -6.799 -17.089 1.00 37.30 ATOM 541 HB2 LEU 36 -14.108 -7.343 -16.601 1.00 4.50 ATOM 542 CG LEU 36 -15.718 -8.302 -15.565 1.00 62.10 ATOM 543 HG LEU 36 -16.691 -8.707 -15.806 1.00 51.31 ATOM 544 CD1 LEU 36 -14.847 -9.452 -15.066 1.00 14.43 ATOM 545 HD11 LEU 36 -14.759 -10.200 -15.840 1.00 52.40 ATOM 546 HD12 LEU 36 -15.300 -9.895 -14.191 1.00 4.24 ATOM 547 HD13 LEU 36 -13.865 -9.078 -14.812 1.00 21.24 ATOM 548 CD2 LEU 36 -15.907 -7.253 -14.472 1.00 51.32 ATOM 549 HD21 LEU 36 -14.952 -6.810 -14.227 1.00 31.13 ATOM 550 HD22 LEU 36 -16.322 -7.721 -13.590 1.00 11.44 ATOM 551 HD23 LEU 36 -16.581 -6.485 -14.821 1.00 2.21 ATOM 552 C LEU 36 -16.468 -9.045 -18.452 1.00 11.45 ATOM 553 O LEU 36 -16.814 -10.221 -18.313 1.00 24.03 ATOM 554 N THR 37 -17.284 -8.105 -18.928 1.00 60.22 ATOM 555 HN THR 37 -16.960 -7.181 -18.985 1.00 37.30 ATOM 556 CA THR 37 -18.657 -8.407 -19.373 1.00 54.51 ATOM 557 HA THR 37 -18.814 -9.474 -19.286 1.00 3.35 ATOM 558 CB THR 37 -19.719 -7.686 -18.505 1.00 1.23 ATOM 559 HB THR 37 -20.699 -8.038 -18.798 1.00 43.13 ATOM 560 OG1 THR 37 -19.654 -6.267 -18.716 1.00 54.35 ATOM 561 HG1 THR 37 -20.509 -5.954 -19.036 1.00 45.43 ATOM 562 CG2 THR 37 -19.522 -7.988 -17.022 1.00 35.55 ATOM 563 HG21 THR 37 -18.554 -7.628 -16.704 1.00 72.41 ATOM 564 HG22 THR 37 -19.577 -9.056 -16.860 1.00 23.12 ATOM 565 HG23 THR 37 -20.294 -7.498 -16.447 1.00 51.22 ATOM 566 C THR 37 -18.875 -7.994 -20.835 1.00 45.31 ATOM 567 O THR 37 -18.057 -7.279 -21.420 1.00 70.01 ATOM 568 N SER 38 -19.983 -8.445 -21.422 1.00 11.24 ATOM 569 HN SER 38 -20.581 -9.039 -20.916 1.00 37.30 ATOM 570 CA SER 38 -20.337 -8.083 -22.806 1.00 13.44 ATOM 571 HA SER 38 -19.421 -7.862 -23.338 1.00 14.14 ATOM 572 CB SER 38 -21.044 -9.254 -23.501 1.00 15.22 ATOM 573 HB1 SER 38 -21.989 -9.443 -23.013 1.00 37.30 ATOM 574 HB2 SER 38 -20.424 -10.137 -23.433 1.00 72.31 ATOM 575 OG SER 38 -21.287 -8.977 -24.875 1.00 21.53 ATOM 576 HG SER 38 -20.975 -9.725 -25.404 1.00 2.54 ATOM 577 C SER 38 -21.240 -6.841 -22.841 1.00 61.01 ATOM 578 O SER 38 -21.646 -6.328 -21.797 1.00 54.21 ATOM 579 N TYR 39 -21.555 -6.363 -24.043 1.00 34.54 ATOM 580 HN TYR 39 -21.219 -6.825 -24.840 1.00 37.30 ATOM 581 CA TYR 39 -22.407 -5.178 -24.211 1.00 25.22 ATOM 582 HA TYR 39 -22.129 -4.465 -23.446 1.00 21.52 ATOM 583 CB TYR 39 -22.171 -4.536 -25.587 1.00 50.32 ATOM 584 HB1 TYR 39 -23.030 -3.931 -25.847 1.00 37.30 ATOM 585 HB2 TYR 39 -22.059 -5.317 -26.323 1.00 31.20 ATOM 586 CG TYR 39 -20.941 -3.647 -25.655 1.00 41.31 ATOM 587 CD1 TYR 39 -19.789 -4.050 -26.323 1.00 33.33 ATOM 588 HD1 TYR 39 -19.766 -5.023 -26.793 1.00 72.15 ATOM 589 CD2 TYR 39 -20.946 -2.390 -25.060 1.00 45.32 ATOM 590 HD2 TYR 39 -21.831 -2.061 -24.534 1.00 33.51 ATOM 591 CE1 TYR 39 -18.681 -3.225 -26.393 1.00 52.13 ATOM 592 HE1 TYR 39 -17.795 -3.556 -26.916 1.00 64.20 ATOM 593 CE2 TYR 39 -19.841 -1.564 -25.123 1.00 11.21 ATOM 594 HE2 TYR 39 -19.867 -0.592 -24.652 1.00 1.31 ATOM 595 CZ TYR 39 -18.712 -1.984 -25.792 1.00 64.40 ATOM 596 OH TYR 39 -17.614 -1.154 -25.867 1.00 21.22 ATOM 597 HH TYR 39 -17.529 -0.664 -25.045 1.00 43.43 ATOM 598 C TYR 39 -23.900 -5.512 -24.046 1.00 60.45 ATOM 599 O TYR 39 -24.476 -6.250 -24.846 1.00 72.31 ATOM 600 N PHE 40 -24.520 -4.955 -23.008 1.00 33.21 ATOM 601 HN PHE 40 -23.995 -4.414 -22.379 1.00 37.30 ATOM 602 CA PHE 40 -25.956 -5.139 -22.766 1.00 3.44 ATOM 603 HA PHE 40 -26.260 -6.064 -23.242 1.00 23.30 ATOM 604 CB PHE 40 -26.218 -5.245 -21.258 1.00 31.24 ATOM 605 HB1 PHE 40 -27.246 -5.538 -21.097 1.00 37.30 ATOM 606 HB2 PHE 40 -26.050 -4.279 -20.800 1.00 61.01 ATOM 607 CG PHE 40 -25.330 -6.254 -20.569 1.00 72.30 ATOM 608 CD1 PHE 40 -25.459 -7.610 -20.836 1.00 24.25 ATOM 609 HD1 PHE 40 -26.207 -7.944 -21.541 1.00 32.52 ATOM 610 CD2 PHE 40 -24.363 -5.846 -19.659 1.00 61.43 ATOM 611 HD2 PHE 40 -24.250 -4.794 -19.441 1.00 44.04 ATOM 612 CE1 PHE 40 -24.644 -8.535 -20.210 1.00 12.13 ATOM 613 HE1 PHE 40 -24.756 -9.588 -20.427 1.00 2.42 ATOM 614 CE2 PHE 40 -23.548 -6.769 -19.031 1.00 25.34 ATOM 615 HE2 PHE 40 -22.801 -6.439 -18.324 1.00 55.23 ATOM 616 CZ PHE 40 -23.688 -8.115 -19.307 1.00 32.12 ATOM 617 HZ PHE 40 -23.052 -8.839 -18.816 1.00 74.44 ATOM 618 C PHE 40 -26.764 -3.978 -23.377 1.00 61.02 ATOM 619 O PHE 40 -26.631 -2.828 -22.955 1.00 72.22 ATOM 620 N PHE 41 -27.606 -4.293 -24.363 1.00 43.12 ATOM 621 HN PHE 41 -27.767 -5.238 -24.560 1.00 37.30 ATOM 622 CA PHE 41 -28.292 -3.271 -25.172 1.00 11.21 ATOM 623 HA PHE 41 -27.593 -2.460 -25.323 1.00 32.13 ATOM 624 CB PHE 41 -28.655 -3.850 -26.545 1.00 72.20 ATOM 625 HB1 PHE 41 -29.243 -3.123 -27.091 1.00 37.30 ATOM 626 HB2 PHE 41 -29.244 -4.745 -26.406 1.00 41.04 ATOM 627 CG PHE 41 -27.452 -4.205 -27.387 1.00 73.25 ATOM 628 CD1 PHE 41 -26.868 -5.462 -27.300 1.00 34.23 ATOM 629 HD1 PHE 41 -27.284 -6.194 -26.622 1.00 13.25 ATOM 630 CD2 PHE 41 -26.903 -3.277 -28.265 1.00 62.32 ATOM 631 HD2 PHE 41 -27.347 -2.295 -28.345 1.00 53.23 ATOM 632 CE1 PHE 41 -25.764 -5.785 -28.070 1.00 22.45 ATOM 633 HE1 PHE 41 -25.320 -6.767 -27.992 1.00 61.40 ATOM 634 CE2 PHE 41 -25.800 -3.596 -29.035 1.00 65.21 ATOM 635 HE2 PHE 41 -25.382 -2.863 -29.712 1.00 62.14 ATOM 636 CZ PHE 41 -25.229 -4.851 -28.937 1.00 62.15 ATOM 637 HZ PHE 41 -24.366 -5.102 -29.538 1.00 40.31 ATOM 638 C PHE 41 -29.556 -2.693 -24.503 1.00 52.43 ATOM 639 O PHE 41 -30.598 -3.347 -24.423 1.00 20.43 ATOM 640 N TRP 42 -29.442 -1.452 -24.045 1.00 2.12 ATOM 641 HN TRP 42 -28.552 -1.042 -24.033 1.00 37.30 ATOM 642 CA TRP 42 -30.578 -0.663 -23.551 1.00 10.41 ATOM 643 HA TRP 42 -31.331 -1.347 -23.185 1.00 5.22 ATOM 644 CB TRP 42 -30.089 0.228 -22.389 1.00 42.23 ATOM 645 HB1 TRP 42 -29.134 0.655 -22.662 1.00 37.30 ATOM 646 HB2 TRP 42 -29.952 -0.391 -21.514 1.00 65.13 ATOM 647 CG TRP 42 -31.011 1.358 -22.004 1.00 30.44 ATOM 648 CD1 TRP 42 -30.924 2.657 -22.418 1.00 25.04 ATOM 649 HD1 TRP 42 -30.171 3.030 -23.090 1.00 64.04 ATOM 650 CD2 TRP 42 -32.143 1.299 -21.124 1.00 35.43 ATOM 651 NE1 TRP 42 -31.926 3.403 -21.859 1.00 50.51 ATOM 652 HE1 TRP 42 -32.070 4.360 -22.008 1.00 12.20 ATOM 653 CE2 TRP 42 -32.689 2.597 -21.062 1.00 4.30 ATOM 654 CE3 TRP 42 -32.752 0.280 -20.387 1.00 21.20 ATOM 655 HE3 TRP 42 -32.367 -0.729 -20.405 1.00 72.11 ATOM 656 CZ2 TRP 42 -33.808 2.899 -20.295 1.00 74.20 ATOM 657 HZ2 TRP 42 -34.218 3.899 -20.254 1.00 62.40 ATOM 658 CZ3 TRP 42 -33.864 0.584 -19.625 1.00 41.11 ATOM 659 HZ3 TRP 42 -34.348 -0.190 -19.049 1.00 75.14 ATOM 660 CH2 TRP 42 -34.382 1.884 -19.584 1.00 43.00 ATOM 661 HH2 TRP 42 -35.253 2.077 -18.974 1.00 11.35 ATOM 662 C TRP 42 -31.176 0.185 -24.703 1.00 32.41 ATOM 663 O TRP 42 -30.438 0.698 -25.546 1.00 45.12 ATOM 664 N PRO 43 -32.523 0.335 -24.784 1.00 25.21 ATOM 665 CA PRO 43 -33.485 -0.268 -23.852 1.00 70.05 ATOM 666 HA PRO 43 -33.067 -0.392 -22.864 1.00 25.53 ATOM 667 CB PRO 43 -34.577 0.805 -23.815 1.00 51.31 ATOM 668 HB1 PRO 43 -34.317 1.563 -23.089 1.00 37.30 ATOM 669 HB2 PRO 43 -35.525 0.356 -23.549 1.00 41.23 ATOM 670 CG PRO 43 -34.602 1.365 -25.207 1.00 44.41 ATOM 671 HG1 PRO 43 -34.837 2.420 -25.171 1.00 37.30 ATOM 672 HG2 PRO 43 -35.342 0.841 -25.797 1.00 52.31 ATOM 673 CD PRO 43 -33.217 1.154 -25.796 1.00 23.32 ATOM 674 HD1 PRO 43 -32.716 2.103 -25.933 1.00 37.30 ATOM 675 HD2 PRO 43 -33.284 0.626 -26.737 1.00 3.25 ATOM 676 C PRO 43 -34.065 -1.610 -24.337 1.00 35.21 ATOM 677 O PRO 43 -35.095 -2.059 -23.839 1.00 4.22 ATOM 678 N ARG 44 -33.400 -2.255 -25.296 1.00 14.33 ATOM 679 HN ARG 44 -32.563 -1.874 -25.636 1.00 37.30 ATOM 680 CA ARG 44 -33.893 -3.522 -25.855 1.00 3.31 ATOM 681 HA ARG 44 -34.927 -3.367 -26.139 1.00 52.12 ATOM 682 CB ARG 44 -33.093 -3.897 -27.111 1.00 1.24 ATOM 683 HB1 ARG 44 -33.512 -4.799 -27.538 1.00 37.30 ATOM 684 HB2 ARG 44 -32.067 -4.084 -26.828 1.00 54.21 ATOM 685 CG ARG 44 -33.103 -2.807 -28.183 1.00 54.15 ATOM 686 HG1 ARG 44 -32.467 -1.993 -27.859 1.00 37.30 ATOM 687 HG2 ARG 44 -34.113 -2.444 -28.305 1.00 22.32 ATOM 688 CD ARG 44 -32.602 -3.317 -29.530 1.00 2.25 ATOM 689 HD1 ARG 44 -31.621 -3.749 -29.397 1.00 37.30 ATOM 690 HD2 ARG 44 -32.537 -2.482 -30.214 1.00 62.34 ATOM 691 NE ARG 44 -33.496 -4.329 -30.094 1.00 53.52 ATOM 692 HE ARG 44 -34.030 -4.860 -29.466 1.00 30.25 ATOM 693 CZ ARG 44 -33.648 -4.559 -31.370 1.00 35.33 ATOM 694 NH1 ARG 44 -32.962 -3.894 -32.247 1.00 22.32 ATOM 695 HH11 ARG 44 -32.310 -3.204 -31.949 1.00 22.33 ATOM 696 HH12 ARG 44 -33.100 -4.064 -33.219 1.00 1.43 ATOM 697 NH2 ARG 44 -34.491 -5.459 -31.762 1.00 31.23 ATOM 698 HH21 ARG 44 -35.025 -5.966 -31.084 1.00 14.10 ATOM 699 HH22 ARG 44 -34.610 -5.648 -32.735 1.00 1.21 ATOM 700 C ARG 44 -33.845 -4.660 -24.818 1.00 63.12 ATOM 701 O ARG 44 -34.475 -5.704 -24.991 1.00 55.44 ATOM 702 N ALA 45 -33.083 -4.446 -23.751 1.00 5.15 ATOM 703 HN ALA 45 -32.529 -3.636 -23.724 1.00 37.30 ATOM 704 CA ALA 45 -33.025 -5.374 -22.617 1.00 74.32 ATOM 705 HA ALA 45 -34.016 -5.783 -22.462 1.00 40.31 ATOM 706 CB ALA 45 -32.070 -6.524 -22.920 1.00 11.02 ATOM 707 HB1 ALA 45 -31.071 -6.136 -23.065 1.00 24.13 ATOM 708 HB2 ALA 45 -32.391 -7.031 -23.819 1.00 5.32 ATOM 709 HB3 ALA 45 -32.067 -7.224 -22.096 1.00 12.42 ATOM 710 C ALA 45 -32.587 -4.632 -21.347 1.00 64.42 ATOM 711 O ALA 45 -31.938 -3.587 -21.430 1.00 33.11 ATOM 712 N ASP 46 -32.943 -5.159 -20.174 1.00 33.12 ATOM 713 HN ASP 46 -33.496 -5.966 -20.156 1.00 37.30 ATOM 714 CA ASP 46 -32.537 -4.540 -18.909 1.00 42.25 ATOM 715 HA ASP 46 -32.851 -3.505 -18.934 1.00 75.05 ATOM 716 CB ASP 46 -33.218 -5.241 -17.727 1.00 45.32 ATOM 717 HB1 ASP 46 -32.670 -6.140 -17.478 1.00 37.30 ATOM 718 HB2 ASP 46 -34.226 -5.511 -18.013 1.00 42.41 ATOM 719 CG ASP 46 -33.289 -4.361 -16.488 1.00 71.45 ATOM 720 OD1 ASP 46 -32.256 -3.772 -16.101 1.00 54.44 ATOM 721 OD2 ASP 46 -34.381 -4.258 -15.889 1.00 44.31 ATOM 722 C ASP 46 -31.006 -4.588 -18.761 1.00 21.34 ATOM 723 O ASP 46 -30.445 -5.541 -18.213 1.00 22.00 ATOM 724 N ALA 47 -30.339 -3.573 -19.296 1.00 35.44 ATOM 725 HN ALA 47 -30.847 -2.837 -19.704 1.00 37.30 ATOM 726 CA ALA 47 -28.876 -3.520 -19.312 1.00 52.44 ATOM 727 HA ALA 47 -28.522 -4.405 -19.823 1.00 31.41 ATOM 728 CB ALA 47 -28.407 -2.305 -20.103 1.00 4.25 ATOM 729 HB1 ALA 47 -28.733 -1.403 -19.607 1.00 71.04 ATOM 730 HB2 ALA 47 -28.824 -2.338 -21.099 1.00 70.10 ATOM 731 HB3 ALA 47 -27.327 -2.310 -20.166 1.00 14.44 ATOM 732 C ALA 47 -28.283 -3.492 -17.897 1.00 22.33 ATOM 733 O ALA 47 -27.343 -4.230 -17.592 1.00 22.22 ATOM 734 N TRP 48 -28.845 -2.646 -17.038 1.00 53.32 ATOM 735 HN TRP 48 -29.624 -2.122 -17.327 1.00 37.30 ATOM 736 CA TRP 48 -28.336 -2.471 -15.676 1.00 50.44 ATOM 737 HA TRP 48 -27.288 -2.211 -15.750 1.00 51.13 ATOM 738 CB TRP 48 -29.082 -1.325 -14.976 1.00 52.24 ATOM 739 HB1 TRP 48 -30.059 -1.673 -14.669 1.00 37.30 ATOM 740 HB2 TRP 48 -29.201 -0.504 -15.668 1.00 21.31 ATOM 741 CG TRP 48 -28.372 -0.803 -13.760 1.00 15.12 ATOM 742 CD1 TRP 48 -27.268 0.000 -13.742 1.00 62.22 ATOM 743 HD1 TRP 48 -26.762 0.361 -14.627 1.00 22.04 ATOM 744 CD2 TRP 48 -28.719 -1.039 -12.391 1.00 13.30 ATOM 745 NE1 TRP 48 -26.904 0.270 -12.448 1.00 34.03 ATOM 746 HE1 TRP 48 -26.143 0.823 -12.177 1.00 13.42 ATOM 747 CE2 TRP 48 -27.778 -0.356 -11.600 1.00 23.45 ATOM 748 CE3 TRP 48 -29.731 -1.763 -11.757 1.00 23.34 ATOM 749 HE3 TRP 48 -30.475 -2.301 -12.327 1.00 13.35 ATOM 750 CZ2 TRP 48 -27.819 -0.376 -10.210 1.00 43.24 ATOM 751 HZ2 TRP 48 -27.092 0.148 -9.609 1.00 4.43 ATOM 752 CZ3 TRP 48 -29.771 -1.781 -10.377 1.00 22.23 ATOM 753 HZ3 TRP 48 -30.547 -2.336 -9.869 1.00 22.45 ATOM 754 CH2 TRP 48 -28.820 -1.092 -9.617 1.00 34.13 ATOM 755 HH2 TRP 48 -28.890 -1.134 -8.540 1.00 15.42 ATOM 756 C TRP 48 -28.460 -3.772 -14.860 1.00 71.23 ATOM 757 O TRP 48 -27.551 -4.131 -14.107 1.00 20.34 ATOM 758 N GLN 49 -29.579 -4.484 -15.024 1.00 52.34 ATOM 759 HN GLN 49 -30.281 -4.143 -15.624 1.00 37.30 ATOM 760 CA GLN 49 -29.790 -5.758 -14.322 1.00 12.24 ATOM 761 HA GLN 49 -29.637 -5.578 -13.266 1.00 1.33 ATOM 762 CB GLN 49 -31.219 -6.275 -14.533 1.00 23.23 ATOM 763 HB1 GLN 49 -31.336 -6.568 -15.568 1.00 37.30 ATOM 764 HB2 GLN 49 -31.915 -5.476 -14.316 1.00 43.14 ATOM 765 CG GLN 49 -31.575 -7.472 -13.653 1.00 13.40 ATOM 766 HG1 GLN 49 -30.860 -8.263 -13.836 1.00 37.30 ATOM 767 HG2 GLN 49 -32.563 -7.815 -13.918 1.00 52.10 ATOM 768 CD GLN 49 -31.563 -7.136 -12.170 1.00 74.43 ATOM 769 OE1 GLN 49 -31.232 -7.969 -11.332 1.00 22.12 ATOM 770 NE2 GLN 49 -31.945 -5.922 -11.829 1.00 72.54 ATOM 771 HE21 GLN 49 -32.216 -5.299 -12.538 1.00 14.21 ATOM 772 HE22 GLN 49 -31.941 -5.693 -10.880 1.00 42.43 ATOM 773 C GLN 49 -28.788 -6.825 -14.788 1.00 4.52 ATOM 774 O GLN 49 -28.192 -7.530 -13.971 1.00 14.32 ATOM 775 N GLN 50 -28.614 -6.945 -16.103 1.00 32.10 ATOM 776 HN GLN 50 -29.140 -6.376 -16.707 1.00 37.30 ATOM 777 CA GLN 50 -27.658 -7.904 -16.670 1.00 50.44 ATOM 778 HA GLN 50 -27.935 -8.891 -16.326 1.00 72.12 ATOM 779 CB GLN 50 -27.724 -7.875 -18.201 1.00 74.12 ATOM 780 HB1 GLN 50 -26.951 -8.521 -18.595 1.00 37.30 ATOM 781 HB2 GLN 50 -27.538 -6.863 -18.537 1.00 44.22 ATOM 782 CG GLN 50 -29.064 -8.327 -18.773 1.00 53.01 ATOM 783 HG1 GLN 50 -29.850 -7.734 -18.327 1.00 37.30 ATOM 784 HG2 GLN 50 -29.216 -9.368 -18.527 1.00 3.22 ATOM 785 CD GLN 50 -29.137 -8.171 -20.283 1.00 3.40 ATOM 786 OE1 GLN 50 -28.792 -9.076 -21.036 1.00 2.22 ATOM 787 NE2 GLN 50 -29.581 -7.015 -20.735 1.00 41.20 ATOM 788 HE21 GLN 50 -29.835 -6.330 -20.083 1.00 2.20 ATOM 789 HE22 GLN 50 -29.637 -6.894 -21.702 1.00 3.11 ATOM 790 C GLN 50 -26.225 -7.605 -16.203 1.00 14.54 ATOM 791 O GLN 50 -25.448 -8.521 -15.918 1.00 33.22 ATOM 792 N LEU 51 -25.885 -6.320 -16.124 1.00 11.22 ATOM 793 HN LEU 51 -26.540 -5.634 -16.385 1.00 37.30 ATOM 794 CA LEU 51 -24.556 -5.902 -15.673 1.00 43.20 ATOM 795 HA LEU 51 -23.830 -6.455 -16.251 1.00 35.11 ATOM 796 CB LEU 51 -24.347 -4.402 -15.931 1.00 52.30 ATOM 797 HB1 LEU 51 -25.072 -3.853 -15.346 1.00 37.30 ATOM 798 HB2 LEU 51 -24.537 -4.210 -16.979 1.00 63.41 ATOM 799 CG LEU 51 -22.944 -3.872 -15.585 1.00 71.53 ATOM 800 HG LEU 51 -22.751 -4.052 -14.536 1.00 23.32 ATOM 801 CD1 LEU 51 -21.877 -4.613 -16.386 1.00 74.34 ATOM 802 HD11 LEU 51 -20.902 -4.229 -16.127 1.00 12.10 ATOM 803 HD12 LEU 51 -22.050 -4.471 -17.443 1.00 32.14 ATOM 804 HD13 LEU 51 -21.918 -5.668 -16.152 1.00 61.13 ATOM 805 CD2 LEU 51 -22.855 -2.366 -15.826 1.00 33.42 ATOM 806 HD21 LEU 51 -23.576 -1.858 -15.202 1.00 35.00 ATOM 807 HD22 LEU 51 -23.066 -2.151 -16.864 1.00 5.41 ATOM 808 HD23 LEU 51 -21.861 -2.019 -15.583 1.00 11.52 ATOM 809 C LEU 51 -24.335 -6.218 -14.184 1.00 22.12 ATOM 810 O LEU 51 -23.349 -6.861 -13.819 1.00 2.25 ATOM 811 N LYS 52 -25.257 -5.772 -13.325 1.00 54.42 ATOM 812 HN LYS 52 -26.031 -5.275 -13.667 1.00 37.30 ATOM 813 CA LYS 52 -25.129 -6.004 -11.882 1.00 40.12 ATOM 814 HA LYS 52 -24.185 -5.573 -11.572 1.00 63.32 ATOM 815 CB LYS 52 -26.262 -5.311 -11.102 1.00 40.23 ATOM 816 HB1 LYS 52 -26.286 -4.270 -11.389 1.00 37.30 ATOM 817 HB2 LYS 52 -26.040 -5.372 -10.046 1.00 20.21 ATOM 818 CG LYS 52 -27.652 -5.901 -11.332 1.00 3.52 ATOM 819 HG1 LYS 52 -27.658 -6.925 -10.984 1.00 37.30 ATOM 820 HG2 LYS 52 -27.868 -5.881 -12.390 1.00 31.31 ATOM 821 CD LYS 52 -28.737 -5.118 -10.591 1.00 75.44 ATOM 822 HD1 LYS 52 -29.703 -5.526 -10.857 1.00 37.30 ATOM 823 HD2 LYS 52 -28.690 -4.083 -10.896 1.00 1.25 ATOM 824 CE LYS 52 -28.575 -5.188 -9.075 1.00 1.44 ATOM 825 HE1 LYS 52 -29.262 -4.489 -8.621 1.00 37.30 ATOM 826 HE2 LYS 52 -27.563 -4.910 -8.818 1.00 21.23 ATOM 827 NZ LYS 52 -28.854 -6.551 -8.544 1.00 71.22 ATOM 828 HZ1 LYS 52 -29.835 -6.827 -8.762 1.00 65.54 ATOM 829 HZ2 LYS 52 -28.724 -6.566 -7.513 1.00 10.43 ATOM 830 HZ3 LYS 52 -28.206 -7.243 -8.971 1.00 64.15 ATOM 831 C LYS 52 -25.097 -7.505 -11.562 1.00 63.41 ATOM 832 O LYS 52 -24.291 -7.950 -10.752 1.00 5.01 ATOM 833 N ASP 53 -25.957 -8.283 -12.225 1.00 50.11 ATOM 834 HN ASP 53 -26.575 -7.872 -12.865 1.00 37.30 ATOM 835 CA ASP 53 -26.008 -9.734 -12.014 1.00 53.33 ATOM 836 HA ASP 53 -26.217 -9.902 -10.966 1.00 44.30 ATOM 837 CB ASP 53 -27.137 -10.353 -12.848 1.00 33.25 ATOM 838 HB1 ASP 53 -26.887 -10.277 -13.898 1.00 37.30 ATOM 839 HB2 ASP 53 -28.053 -9.808 -12.664 1.00 60.10 ATOM 840 CG ASP 53 -27.372 -11.815 -12.508 1.00 2.23 ATOM 841 OD1 ASP 53 -27.793 -12.098 -11.365 1.00 42.24 ATOM 842 OD2 ASP 53 -27.149 -12.685 -13.375 1.00 23.40 ATOM 843 C ASP 53 -24.656 -10.392 -12.351 1.00 1.42 ATOM 844 O ASP 53 -24.215 -11.309 -11.661 1.00 21.23 ATOM 845 N GLU 54 -24.004 -9.907 -13.409 1.00 4.52 ATOM 846 HN GLU 54 -24.442 -9.231 -13.967 1.00 37.30 ATOM 847 CA GLU 54 -22.646 -10.349 -13.758 1.00 13.30 ATOM 848 HA GLU 54 -22.671 -11.419 -13.909 1.00 42.00 ATOM 849 CB GLU 54 -22.183 -9.667 -15.063 1.00 54.41 ATOM 850 HB1 GLU 54 -21.131 -9.429 -14.982 1.00 37.30 ATOM 851 HB2 GLU 54 -22.734 -8.745 -15.186 1.00 75.53 ATOM 852 CG GLU 54 -22.383 -10.509 -16.322 1.00 30.04 ATOM 853 HG1 GLU 54 -22.297 -9.865 -17.187 1.00 37.30 ATOM 854 HG2 GLU 54 -23.373 -10.942 -16.298 1.00 61.12 ATOM 855 CD GLU 54 -21.362 -11.633 -16.445 1.00 44.30 ATOM 856 OE1 GLU 54 -21.536 -12.685 -15.798 1.00 13.53 ATOM 857 OE2 GLU 54 -20.368 -11.463 -17.185 1.00 4.23 ATOM 858 C GLU 54 -21.660 -10.036 -12.622 1.00 61.42 ATOM 859 O GLU 54 -20.900 -10.899 -12.182 1.00 12.24 ATOM 860 N LEU 55 -21.696 -8.797 -12.140 1.00 11.33 ATOM 861 HN LEU 55 -22.349 -8.164 -12.512 1.00 37.30 ATOM 862 CA LEU 55 -20.800 -8.349 -11.070 1.00 4.13 ATOM 863 HA LEU 55 -19.788 -8.578 -11.375 1.00 74.22 ATOM 864 CB LEU 55 -20.929 -6.831 -10.890 1.00 34.43 ATOM 865 HB1 LEU 55 -20.265 -6.523 -10.095 1.00 37.30 ATOM 866 HB2 LEU 55 -21.946 -6.610 -10.592 1.00 70.22 ATOM 867 CG LEU 55 -20.598 -5.997 -12.142 1.00 41.40 ATOM 868 HG LEU 55 -21.238 -6.315 -12.955 1.00 54.11 ATOM 869 CD1 LEU 55 -20.866 -4.514 -11.895 1.00 31.24 ATOM 870 HD11 LEU 55 -21.904 -4.373 -11.629 1.00 73.21 ATOM 871 HD12 LEU 55 -20.647 -3.952 -12.792 1.00 14.34 ATOM 872 HD13 LEU 55 -20.238 -4.161 -11.089 1.00 14.54 ATOM 873 CD2 LEU 55 -19.148 -6.223 -12.573 1.00 72.05 ATOM 874 HD21 LEU 55 -18.484 -5.951 -11.765 1.00 11.54 ATOM 875 HD22 LEU 55 -18.928 -5.615 -13.439 1.00 71.44 ATOM 876 HD23 LEU 55 -19.003 -7.265 -12.821 1.00 43.30 ATOM 877 C LEU 55 -21.088 -9.077 -9.742 1.00 54.01 ATOM 878 O LEU 55 -20.180 -9.317 -8.948 1.00 43.40 ATOM 879 N GLU 56 -22.355 -9.423 -9.512 1.00 25.43 ATOM 880 HN GLU 56 -23.039 -9.171 -10.166 1.00 37.30 ATOM 881 CA GLU 56 -22.759 -10.168 -8.311 1.00 2.20 ATOM 882 HA GLU 56 -22.235 -9.740 -7.466 1.00 74.12 ATOM 883 CB GLU 56 -24.271 -10.027 -8.080 1.00 3.10 ATOM 884 HB1 GLU 56 -24.554 -10.641 -7.235 1.00 37.30 ATOM 885 HB2 GLU 56 -24.792 -10.381 -8.959 1.00 35.41 ATOM 886 CG GLU 56 -24.722 -8.596 -7.801 1.00 15.22 ATOM 887 HG1 GLU 56 -24.387 -7.963 -8.610 1.00 37.30 ATOM 888 HG2 GLU 56 -24.269 -8.262 -6.877 1.00 24.33 ATOM 889 CD GLU 56 -26.233 -8.471 -7.676 1.00 21.44 ATOM 890 OE1 GLU 56 -26.746 -8.446 -6.539 1.00 60.03 ATOM 891 OE2 GLU 56 -26.919 -8.402 -8.718 1.00 43.43 ATOM 892 C GLU 56 -22.383 -11.655 -8.420 1.00 53.12 ATOM 893 O GLU 56 -22.037 -12.294 -7.423 1.00 13.32 ATOM 894 N ALA 57 -22.467 -12.203 -9.633 1.00 75.35 ATOM 895 HN ALA 57 -22.804 -11.657 -10.376 1.00 37.30 ATOM 896 CA ALA 57 -22.089 -13.598 -9.887 1.00 41.21 ATOM 897 HA ALA 57 -22.642 -14.223 -9.197 1.00 63.24 ATOM 898 CB ALA 57 -22.478 -14.003 -11.307 1.00 2.41 ATOM 899 HB1 ALA 57 -23.538 -13.844 -11.450 1.00 61.22 ATOM 900 HB2 ALA 57 -22.248 -15.048 -11.460 1.00 41.42 ATOM 901 HB3 ALA 57 -21.926 -13.405 -12.018 1.00 61.11 ATOM 902 C ALA 57 -20.588 -13.822 -9.659 1.00 60.23 ATOM 903 O ALA 57 -20.176 -14.846 -9.113 1.00 5.51 ATOM 904 N LYS 58 -19.778 -12.856 -10.090 1.00 33.41 ATOM 905 HN LYS 58 -20.168 -12.085 -10.557 1.00 37.30 ATOM 906 CA LYS 58 -18.323 -12.906 -9.894 1.00 3.05 ATOM 907 HA LYS 58 -17.994 -13.923 -10.053 1.00 72.12 ATOM 908 CB LYS 58 -17.632 -11.987 -10.912 1.00 65.33 ATOM 909 HB1 LYS 58 -16.570 -12.192 -10.903 1.00 37.30 ATOM 910 HB2 LYS 58 -17.790 -10.957 -10.616 1.00 20.04 ATOM 911 CG LYS 58 -18.137 -12.151 -12.343 1.00 44.44 ATOM 912 HG1 LYS 58 -19.216 -12.097 -12.341 1.00 37.30 ATOM 913 HG2 LYS 58 -17.825 -13.117 -12.716 1.00 14.33 ATOM 914 CD LYS 58 -17.586 -11.065 -13.264 1.00 62.35 ATOM 915 HD1 LYS 58 -16.539 -11.266 -13.457 1.00 37.30 ATOM 916 HD2 LYS 58 -17.682 -10.108 -12.771 1.00 22.04 ATOM 917 CE LYS 58 -18.334 -11.007 -14.592 1.00 72.42 ATOM 918 HE1 LYS 58 -17.898 -10.227 -15.200 1.00 37.30 ATOM 919 HE2 LYS 58 -19.370 -10.769 -14.396 1.00 13.23 ATOM 920 NZ LYS 58 -18.275 -12.290 -15.340 1.00 64.12 ATOM 921 HZ1 LYS 58 -18.864 -12.231 -16.198 1.00 60.34 ATOM 922 HZ2 LYS 58 -18.624 -13.068 -14.748 1.00 20.22 ATOM 923 HZ3 LYS 58 -17.296 -12.498 -15.621 1.00 50.31 ATOM 924 C LYS 58 -17.960 -12.475 -8.460 1.00 1.02 ATOM 925 O LYS 58 -17.916 -11.285 -8.154 1.00 41.11 ATOM 926 N HIS 59 -17.694 -13.445 -7.588 1.00 73.40 ATOM 927 HN HIS 59 -17.629 -14.370 -7.909 1.00 37.30 ATOM 928 CA HIS 59 -17.488 -13.169 -6.157 1.00 4.02 ATOM 929 HA HIS 59 -18.361 -12.635 -5.808 1.00 33.14 ATOM 930 CB HIS 59 -17.381 -14.482 -5.370 1.00 0.22 ATOM 931 HB1 HIS 59 -16.553 -15.057 -5.760 1.00 37.30 ATOM 932 HB2 HIS 59 -18.293 -15.047 -5.499 1.00 13.23 ATOM 933 CG HIS 59 -17.159 -14.294 -3.895 1.00 25.35 ATOM 934 ND1 HIS 59 -18.180 -14.056 -2.996 1.00 1.43 ATOM 935 HD1 HIS 59 -19.137 -14.001 -3.213 1.00 30.35 ATOM 936 CD2 HIS 59 -16.020 -14.304 -3.162 1.00 33.12 ATOM 937 HD2 HIS 59 -15.019 -14.473 -3.535 1.00 4.33 ATOM 938 CE1 HIS 59 -17.678 -13.928 -1.785 1.00 64.20 ATOM 939 HE1 HIS 59 -18.242 -13.738 -0.884 1.00 54.22 ATOM 940 NE2 HIS 59 -16.374 -14.074 -1.858 1.00 5.05 ATOM 941 HE2 HIS 59 -15.746 -13.923 -1.119 1.00 37.30 ATOM 942 C HIS 59 -16.248 -12.293 -5.886 1.00 3.31 ATOM 943 O HIS 59 -16.184 -11.605 -4.868 1.00 14.31 ATOM 944 N TRP 60 -15.259 -12.331 -6.778 1.00 2.21 ATOM 945 HN TRP 60 -15.343 -12.915 -7.563 1.00 37.30 ATOM 946 CA TRP 60 -14.038 -11.534 -6.590 1.00 45.23 ATOM 947 HA TRP 60 -13.765 -11.628 -5.547 1.00 23.31 ATOM 948 CB TRP 60 -12.877 -12.087 -7.437 1.00 32.24 ATOM 949 HB1 TRP 60 -12.743 -13.134 -7.198 1.00 37.30 ATOM 950 HB2 TRP 60 -11.974 -11.554 -7.181 1.00 50.33 ATOM 951 CG TRP 60 -13.063 -11.976 -8.925 1.00 74.12 ATOM 952 CD1 TRP 60 -13.824 -12.780 -9.726 1.00 1.40 ATOM 953 HD1 TRP 60 -14.417 -13.609 -9.368 1.00 14.41 ATOM 954 CD2 TRP 60 -12.448 -11.016 -9.792 1.00 22.23 ATOM 955 NE1 TRP 60 -13.726 -12.372 -11.032 1.00 74.43 ATOM 956 HE1 TRP 60 -14.184 -12.789 -11.796 1.00 44.34 ATOM 957 CE2 TRP 60 -12.888 -11.291 -11.100 1.00 42.24 ATOM 958 CE3 TRP 60 -11.572 -9.945 -9.588 1.00 62.15 ATOM 959 HE3 TRP 60 -11.210 -9.701 -8.599 1.00 43.31 ATOM 960 CZ2 TRP 60 -12.481 -10.535 -12.197 1.00 22.14 ATOM 961 HZ2 TRP 60 -12.821 -10.749 -13.199 1.00 70.12 ATOM 962 CZ3 TRP 60 -11.168 -9.197 -10.677 1.00 33.44 ATOM 963 HZ3 TRP 60 -10.489 -8.368 -10.536 1.00 22.03 ATOM 964 CH2 TRP 60 -11.622 -9.494 -11.966 1.00 72.44 ATOM 965 HH2 TRP 60 -11.278 -8.883 -12.789 1.00 13.33 ATOM 966 C TRP 60 -14.272 -10.036 -6.872 1.00 22.31 ATOM 967 O TRP 60 -13.379 -9.212 -6.666 1.00 50.21 ATOM 968 N ILE 61 -15.476 -9.688 -7.337 1.00 52.35 ATOM 969 HN ILE 61 -16.110 -10.392 -7.592 1.00 37.30 ATOM 970 CA ILE 61 -15.885 -8.279 -7.467 1.00 53.02 ATOM 971 HA ILE 61 -14.998 -7.694 -7.672 1.00 34.14 ATOM 972 CB ILE 61 -16.897 -8.059 -8.637 1.00 31.43 ATOM 973 HB ILE 61 -17.616 -8.867 -8.611 1.00 74.23 ATOM 974 CG1 ILE 61 -16.189 -8.067 -10.006 1.00 21.50 ATOM 975 HG11 ILE 61 -15.461 -7.268 -10.030 1.00 37.30 ATOM 976 HG12 ILE 61 -16.922 -7.898 -10.782 1.00 72.31 ATOM 977 CG2 ILE 61 -17.665 -6.747 -8.463 1.00 23.33 ATOM 978 HG21 ILE 61 -16.967 -5.921 -8.416 1.00 72.42 ATOM 979 HG22 ILE 61 -18.242 -6.780 -7.549 1.00 14.22 ATOM 980 HG23 ILE 61 -18.332 -6.605 -9.301 1.00 71.44 ATOM 981 CD1 ILE 61 -15.471 -9.351 -10.337 1.00 42.15 ATOM 982 HD11 ILE 61 -16.171 -10.170 -10.326 1.00 42.34 ATOM 983 HD12 ILE 61 -14.696 -9.529 -9.606 1.00 53.30 ATOM 984 HD13 ILE 61 -15.026 -9.272 -11.319 1.00 35.10 ATOM 985 C ILE 61 -16.505 -7.779 -6.150 1.00 40.43 ATOM 986 O ILE 61 -17.330 -8.465 -5.533 1.00 53.34 ATOM 987 N ALA 62 -16.118 -6.578 -5.728 1.00 13.42 ATOM 988 HN ALA 62 -15.528 -6.038 -6.299 1.00 37.30 ATOM 989 CA ALA 62 -16.580 -6.021 -4.453 1.00 0.50 ATOM 990 HA ALA 62 -16.903 -6.843 -3.828 1.00 72.03 ATOM 991 CB ALA 62 -15.436 -5.316 -3.740 1.00 44.31 ATOM 992 HB1 ALA 62 -15.761 -5.004 -2.758 1.00 34.51 ATOM 993 HB2 ALA 62 -15.135 -4.447 -4.311 1.00 53.31 ATOM 994 HB3 ALA 62 -14.599 -5.991 -3.644 1.00 75.01 ATOM 995 C ALA 62 -17.753 -5.055 -4.642 1.00 54.24 ATOM 996 O ALA 62 -17.993 -4.544 -5.736 1.00 52.41 ATOM 997 N GLU 63 -18.475 -4.794 -3.558 1.00 44.10 ATOM 998 HN GLU 63 -18.238 -5.231 -2.711 1.00 37.30 ATOM 999 CA GLU 63 -19.612 -3.878 -3.591 1.00 24.11 ATOM 1000 HA GLU 63 -20.300 -4.242 -4.342 1.00 50.33 ATOM 1001 CB GLU 63 -20.323 -3.875 -2.233 1.00 12.24 ATOM 1002 HB1 GLU 63 -19.610 -3.598 -1.468 1.00 37.30 ATOM 1003 HB2 GLU 63 -20.684 -4.873 -2.029 1.00 14.11 ATOM 1004 CG GLU 63 -21.506 -2.914 -2.154 1.00 42.44 ATOM 1005 HG1 GLU 63 -22.179 -3.125 -2.975 1.00 37.30 ATOM 1006 HG2 GLU 63 -21.138 -1.902 -2.247 1.00 72.12 ATOM 1007 CD GLU 63 -22.271 -3.037 -0.848 1.00 21.21 ATOM 1008 OE1 GLU 63 -23.330 -3.699 -0.834 1.00 14.35 ATOM 1009 OE2 GLU 63 -21.810 -2.487 0.175 1.00 44.13 ATOM 1010 C GLU 63 -19.176 -2.456 -3.975 1.00 43.30 ATOM 1011 O GLU 63 -19.780 -1.830 -4.841 1.00 30.04 ATOM 1012 N ALA 64 -18.112 -1.966 -3.347 1.00 22.11 ATOM 1013 HN ALA 64 -17.644 -2.530 -2.693 1.00 37.30 ATOM 1014 CA ALA 64 -17.627 -0.604 -3.592 1.00 45.02 ATOM 1015 HA ALA 64 -18.384 0.084 -3.237 1.00 23.31 ATOM 1016 CB ALA 64 -16.360 -0.355 -2.789 1.00 61.52 ATOM 1017 HB1 ALA 64 -16.547 -0.563 -1.746 1.00 71.35 ATOM 1018 HB2 ALA 64 -16.061 0.678 -2.900 1.00 23.10 ATOM 1019 HB3 ALA 64 -15.571 -0.999 -3.148 1.00 22.15 ATOM 1020 C ALA 64 -17.370 -0.325 -5.083 1.00 5.23 ATOM 1021 O ALA 64 -17.861 0.668 -5.628 1.00 14.04 ATOM 1022 N ASP 65 -16.624 -1.212 -5.743 1.00 14.44 ATOM 1023 HN ASP 65 -16.285 -2.001 -5.268 1.00 37.30 ATOM 1024 CA ASP 65 -16.286 -1.027 -7.160 1.00 10.04 ATOM 1025 HA ASP 65 -16.040 0.019 -7.279 1.00 74.55 ATOM 1026 CB ASP 65 -15.044 -1.848 -7.549 1.00 33.13 ATOM 1027 HB1 ASP 65 -14.158 -1.271 -7.321 1.00 37.30 ATOM 1028 HB2 ASP 65 -15.067 -2.047 -8.610 1.00 22.43 ATOM 1029 CG ASP 65 -14.948 -3.173 -6.820 1.00 72.31 ATOM 1030 OD1 ASP 65 -14.297 -3.216 -5.753 1.00 14.13 ATOM 1031 OD2 ASP 65 -15.502 -4.174 -7.307 1.00 13.31 ATOM 1032 C ASP 65 -17.470 -1.335 -8.095 1.00 70.35 ATOM 1033 O ASP 65 -17.733 -0.575 -9.033 1.00 30.15 ATOM 1034 N ARG 66 -18.191 -2.432 -7.848 1.00 71.01 ATOM 1035 HN ARG 66 -17.929 -3.027 -7.110 1.00 37.30 ATOM 1036 CA ARG 66 -19.347 -2.776 -8.686 1.00 41.21 ATOM 1037 HA ARG 66 -18.989 -2.851 -9.705 1.00 20.41 ATOM 1038 CB ARG 66 -19.953 -4.133 -8.283 1.00 32.52 ATOM 1039 HB1 ARG 66 -19.146 -4.839 -8.144 1.00 37.30 ATOM 1040 HB2 ARG 66 -20.579 -4.483 -9.091 1.00 44.14 ATOM 1041 CG ARG 66 -20.795 -4.119 -7.009 1.00 43.32 ATOM 1042 HG1 ARG 66 -21.639 -3.460 -7.152 1.00 37.30 ATOM 1043 HG2 ARG 66 -20.188 -3.755 -6.192 1.00 40.50 ATOM 1044 CD ARG 66 -21.306 -5.513 -6.660 1.00 2.12 ATOM 1045 HD1 ARG 66 -20.466 -6.124 -6.358 1.00 37.30 ATOM 1046 HD2 ARG 66 -21.764 -5.944 -7.539 1.00 52.32 ATOM 1047 NE ARG 66 -22.291 -5.491 -5.578 1.00 24.45 ATOM 1048 HE ARG 66 -22.631 -4.622 -5.293 1.00 0.52 ATOM 1049 CZ ARG 66 -22.773 -6.565 -5.006 1.00 73.41 ATOM 1050 NH1 ARG 66 -22.302 -7.733 -5.298 1.00 1.35 ATOM 1051 HH11 ARG 66 -21.564 -7.826 -5.964 1.00 61.32 ATOM 1052 HH12 ARG 66 -22.681 -8.546 -4.857 1.00 74.12 ATOM 1053 NH2 ARG 66 -23.701 -6.465 -4.114 1.00 75.32 ATOM 1054 HH21 ARG 66 -24.057 -5.567 -3.858 1.00 64.32 ATOM 1055 HH22 ARG 66 -24.071 -7.291 -3.692 1.00 12.32 ATOM 1056 C ARG 66 -20.416 -1.670 -8.635 1.00 51.21 ATOM 1057 O ARG 66 -20.989 -1.305 -9.658 1.00 41.02 ATOM 1058 N ILE 67 -20.665 -1.124 -7.444 1.00 15.13 ATOM 1059 HN ILE 67 -20.187 -1.459 -6.656 1.00 37.30 ATOM 1060 CA ILE 67 -21.629 -0.029 -7.286 1.00 63.23 ATOM 1061 HA ILE 67 -22.564 -0.354 -7.724 1.00 30.12 ATOM 1062 CB ILE 67 -21.887 0.302 -5.789 1.00 21.02 ATOM 1063 HB ILE 67 -20.929 0.480 -5.315 1.00 42.34 ATOM 1064 CG1 ILE 67 -22.574 -0.886 -5.088 1.00 53.23 ATOM 1065 HG11 ILE 67 -22.731 -0.640 -4.048 1.00 37.30 ATOM 1066 HG12 ILE 67 -21.931 -1.751 -5.150 1.00 71.41 ATOM 1067 CG2 ILE 67 -22.728 1.571 -5.643 1.00 63.24 ATOM 1068 HG21 ILE 67 -23.672 1.440 -6.151 1.00 33.10 ATOM 1069 HG22 ILE 67 -22.199 2.407 -6.078 1.00 74.30 ATOM 1070 HG23 ILE 67 -22.908 1.767 -4.596 1.00 13.15 ATOM 1071 CD1 ILE 67 -23.917 -1.269 -5.682 1.00 44.22 ATOM 1072 HD11 ILE 67 -23.790 -1.532 -6.722 1.00 2.12 ATOM 1073 HD12 ILE 67 -24.600 -0.436 -5.600 1.00 53.11 ATOM 1074 HD13 ILE 67 -24.317 -2.116 -5.143 1.00 60.11 ATOM 1075 C ILE 67 -21.160 1.231 -8.029 1.00 64.13 ATOM 1076 O ILE 67 -21.963 1.934 -8.638 1.00 3.35 ATOM 1077 N ASN 68 -19.854 1.501 -7.988 1.00 30.33 ATOM 1078 HN ASN 68 -19.267 0.934 -7.442 1.00 37.30 ATOM 1079 CA ASN 68 -19.272 2.627 -8.731 1.00 71.01 ATOM 1080 HA ASN 68 -19.692 3.538 -8.329 1.00 52.01 ATOM 1081 CB ASN 68 -17.748 2.658 -8.546 1.00 12.40 ATOM 1082 HB1 ASN 68 -17.341 1.686 -8.793 1.00 37.30 ATOM 1083 HB2 ASN 68 -17.522 2.883 -7.513 1.00 5.50 ATOM 1084 CG ASN 68 -17.073 3.703 -9.421 1.00 33.01 ATOM 1085 OD1 ASN 68 -17.627 4.765 -9.689 1.00 14.41 ATOM 1086 ND2 ASN 68 -15.879 3.403 -9.886 1.00 51.01 ATOM 1087 HD21 ASN 68 -15.491 2.539 -9.643 1.00 51.43 ATOM 1088 HD22 ASN 68 -15.436 4.052 -10.472 1.00 62.22 ATOM 1089 C ASN 68 -19.615 2.543 -10.230 1.00 65.30 ATOM 1090 O ASN 68 -20.250 3.447 -10.784 1.00 62.54 ATOM 1091 N VAL 69 -19.209 1.448 -10.877 1.00 45.42 ATOM 1092 HN VAL 69 -18.719 0.754 -10.385 1.00 37.30 ATOM 1093 CA VAL 69 -19.473 1.262 -12.309 1.00 3.23 ATOM 1094 HA VAL 69 -19.077 2.129 -12.821 1.00 52.34 ATOM 1095 CB VAL 69 -18.753 0.009 -12.877 1.00 73.10 ATOM 1096 HB VAL 69 -18.969 -0.049 -13.936 1.00 32.44 ATOM 1097 CG1 VAL 69 -17.236 0.132 -12.713 1.00 41.20 ATOM 1098 HG11 VAL 69 -16.882 0.996 -13.260 1.00 60.04 ATOM 1099 HG12 VAL 69 -16.756 -0.755 -13.100 1.00 64.11 ATOM 1100 HG13 VAL 69 -16.990 0.245 -11.666 1.00 10.11 ATOM 1101 CG2 VAL 69 -19.267 -1.270 -12.220 1.00 33.21 ATOM 1102 HG21 VAL 69 -20.337 -1.339 -12.351 1.00 62.55 ATOM 1103 HG22 VAL 69 -19.035 -1.254 -11.164 1.00 43.30 ATOM 1104 HG23 VAL 69 -18.795 -2.127 -12.680 1.00 54.13 ATOM 1105 C VAL 69 -20.983 1.186 -12.606 1.00 45.04 ATOM 1106 O VAL 69 -21.431 1.587 -13.679 1.00 73.34 ATOM 1107 N LEU 70 -21.765 0.688 -11.647 1.00 51.43 ATOM 1108 HN LEU 70 -21.352 0.323 -10.836 1.00 37.30 ATOM 1109 CA LEU 70 -23.227 0.658 -11.783 1.00 43.32 ATOM 1110 HA LEU 70 -23.455 0.251 -12.760 1.00 63.52 ATOM 1111 CB LEU 70 -23.856 -0.251 -10.714 1.00 63.21 ATOM 1112 HB1 LEU 70 -24.922 -0.064 -10.694 1.00 37.30 ATOM 1113 HB2 LEU 70 -23.444 0.025 -9.752 1.00 30.44 ATOM 1114 CG LEU 70 -23.640 -1.762 -10.918 1.00 23.20 ATOM 1115 HG LEU 70 -22.578 -1.966 -10.960 1.00 60.43 ATOM 1116 CD1 LEU 70 -24.219 -2.554 -9.746 1.00 24.53 ATOM 1117 HD11 LEU 70 -23.755 -2.228 -8.826 1.00 10.31 ATOM 1118 HD12 LEU 70 -24.025 -3.607 -9.891 1.00 3.13 ATOM 1119 HD13 LEU 70 -25.286 -2.390 -9.687 1.00 3.43 ATOM 1120 CD2 LEU 70 -24.259 -2.218 -12.239 1.00 61.20 ATOM 1121 HD21 LEU 70 -24.117 -3.282 -12.357 1.00 11.42 ATOM 1122 HD22 LEU 70 -23.781 -1.701 -13.059 1.00 63.32 ATOM 1123 HD23 LEU 70 -25.317 -1.993 -12.242 1.00 71.11 ATOM 1124 C LEU 70 -23.839 2.069 -11.692 1.00 24.33 ATOM 1125 O LEU 70 -24.814 2.369 -12.379 1.00 11.11 ATOM 1126 N ASN 71 -23.276 2.929 -10.839 1.00 12.21 ATOM 1127 HN ASN 71 -22.515 2.634 -10.296 1.00 37.30 ATOM 1128 CA ASN 71 -23.770 4.308 -10.697 1.00 74.31 ATOM 1129 HA ASN 71 -24.844 4.254 -10.563 1.00 42.14 ATOM 1130 CB ASN 71 -23.155 4.993 -9.467 1.00 53.55 ATOM 1131 HB1 ASN 71 -23.409 6.045 -9.482 1.00 37.30 ATOM 1132 HB2 ASN 71 -22.081 4.889 -9.505 1.00 70.22 ATOM 1133 CG ASN 71 -23.650 4.402 -8.157 1.00 73.14 ATOM 1134 OD1 ASN 71 -24.748 3.859 -8.079 1.00 2.24 ATOM 1135 ND2 ASN 71 -22.859 4.525 -7.110 1.00 64.42 ATOM 1136 HD21 ASN 71 -22.003 4.989 -7.225 1.00 74.35 ATOM 1137 HD22 ASN 71 -23.163 4.150 -6.261 1.00 5.23 ATOM 1138 C ASN 71 -23.480 5.135 -11.957 1.00 1.42 ATOM 1139 O ASN 71 -24.386 5.745 -12.528 1.00 72.03 ATOM 1140 N GLN 72 -22.222 5.142 -12.396 1.00 3.44 ATOM 1141 HN GLN 72 -21.536 4.655 -11.891 1.00 37.30 ATOM 1142 CA GLN 72 -21.840 5.868 -13.612 1.00 11.43 ATOM 1143 HA GLN 72 -22.140 6.900 -13.477 1.00 13.11 ATOM 1144 CB GLN 72 -20.317 5.823 -13.816 1.00 62.40 ATOM 1145 HB1 GLN 72 -19.843 6.297 -12.968 1.00 37.30 ATOM 1146 HB2 GLN 72 -20.069 6.382 -14.708 1.00 34.31 ATOM 1147 CG GLN 72 -19.744 4.418 -13.959 1.00 12.32 ATOM 1148 HG1 GLN 72 -20.082 4.002 -14.897 1.00 37.30 ATOM 1149 HG2 GLN 72 -20.116 3.810 -13.147 1.00 1.40 ATOM 1150 CD GLN 72 -18.222 4.374 -13.928 1.00 75.12 ATOM 1151 OE1 GLN 72 -17.602 3.541 -14.576 1.00 4.20 ATOM 1152 NE2 GLN 72 -17.607 5.248 -13.153 1.00 43.42 ATOM 1153 HE21 GLN 72 -18.149 5.876 -12.638 1.00 73.54 ATOM 1154 HE22 GLN 72 -16.629 5.221 -13.120 1.00 0.40 ATOM 1155 C GLN 72 -22.585 5.313 -14.841 1.00 23.34 ATOM 1156 O GLN 72 -22.978 6.069 -15.729 1.00 12.22 ATOM 1157 N ALA 73 -22.794 3.991 -14.875 1.00 64.13 ATOM 1158 HN ALA 73 -22.365 3.421 -14.200 1.00 37.30 ATOM 1159 CA ALA 73 -23.630 3.369 -15.910 1.00 30.42 ATOM 1160 HA ALA 73 -23.211 3.628 -16.874 1.00 72.43 ATOM 1161 CB ALA 73 -23.612 1.848 -15.778 1.00 1.12 ATOM 1162 HB1 ALA 73 -22.597 1.489 -15.882 1.00 65.00 ATOM 1163 HB2 ALA 73 -24.229 1.409 -16.549 1.00 64.32 ATOM 1164 HB3 ALA 73 -23.994 1.564 -14.807 1.00 13.24 ATOM 1165 C ALA 73 -25.072 3.893 -15.838 1.00 43.33 ATOM 1166 O ALA 73 -25.671 4.235 -16.857 1.00 12.34 ATOM 1167 N THR 74 -25.620 3.957 -14.621 1.00 11.12 ATOM 1168 HN THR 74 -25.115 3.609 -13.856 1.00 37.30 ATOM 1169 CA THR 74 -26.959 4.526 -14.396 1.00 21.24 ATOM 1170 HA THR 74 -27.672 3.915 -14.933 1.00 61.12 ATOM 1171 CB THR 74 -27.346 4.520 -12.892 1.00 31.55 ATOM 1172 HB THR 74 -26.588 5.061 -12.342 1.00 35.35 ATOM 1173 OG1 THR 74 -27.401 3.174 -12.399 1.00 71.31 ATOM 1174 HG1 THR 74 -26.585 2.971 -11.930 1.00 15.32 ATOM 1175 CG2 THR 74 -28.694 5.197 -12.653 1.00 52.44 ATOM 1176 HG21 THR 74 -29.456 4.699 -13.235 1.00 72.25 ATOM 1177 HG22 THR 74 -28.635 6.234 -12.949 1.00 32.41 ATOM 1178 HG23 THR 74 -28.948 5.137 -11.604 1.00 1.12 ATOM 1179 C THR 74 -27.039 5.962 -14.929 1.00 53.44 ATOM 1180 O THR 74 -28.025 6.347 -15.562 1.00 72.30 ATOM 1181 N GLU 75 -25.993 6.751 -14.675 1.00 23.12 ATOM 1182 HN GLU 75 -25.259 6.407 -14.121 1.00 37.30 ATOM 1183 CA GLU 75 -25.914 8.118 -15.198 1.00 22.44 ATOM 1184 HA GLU 75 -26.782 8.654 -14.838 1.00 55.15 ATOM 1185 CB GLU 75 -24.652 8.831 -14.692 1.00 40.12 ATOM 1186 HB1 GLU 75 -24.554 9.772 -15.215 1.00 37.30 ATOM 1187 HB2 GLU 75 -23.792 8.217 -14.920 1.00 63.15 ATOM 1188 CG GLU 75 -24.647 9.118 -13.195 1.00 12.45 ATOM 1189 HG1 GLU 75 -24.564 8.183 -12.659 1.00 37.30 ATOM 1190 HG2 GLU 75 -25.578 9.601 -12.929 1.00 3.34 ATOM 1191 CD GLU 75 -23.494 10.022 -12.787 1.00 5.11 ATOM 1192 OE1 GLU 75 -22.466 9.514 -12.297 1.00 74.41 ATOM 1193 OE2 GLU 75 -23.606 11.253 -12.985 1.00 75.41 ATOM 1194 C GLU 75 -25.938 8.132 -16.733 1.00 15.23 ATOM 1195 O GLU 75 -26.592 8.981 -17.334 1.00 60.02 ATOM 1196 N VAL 76 -25.220 7.196 -17.361 1.00 34.51 ATOM 1197 HN VAL 76 -24.673 6.578 -16.829 1.00 37.30 ATOM 1198 CA VAL 76 -25.217 7.072 -18.828 1.00 63.35 ATOM 1199 HA VAL 76 -24.930 8.033 -19.235 1.00 52.43 ATOM 1200 CB VAL 76 -24.191 6.014 -19.316 1.00 20.45 ATOM 1201 HB VAL 76 -24.457 5.059 -18.885 1.00 34.45 ATOM 1202 CG1 VAL 76 -24.235 5.873 -20.838 1.00 53.12 ATOM 1203 HG11 VAL 76 -24.000 6.824 -21.295 1.00 13.41 ATOM 1204 HG12 VAL 76 -25.223 5.562 -21.145 1.00 75.22 ATOM 1205 HG13 VAL 76 -23.512 5.134 -21.155 1.00 3.24 ATOM 1206 CG2 VAL 76 -22.778 6.368 -18.850 1.00 42.05 ATOM 1207 HG21 VAL 76 -22.087 5.606 -19.182 1.00 72.02 ATOM 1208 HG22 VAL 76 -22.756 6.425 -17.772 1.00 34.35 ATOM 1209 HG23 VAL 76 -22.488 7.322 -19.267 1.00 44.42 ATOM 1210 C VAL 76 -26.614 6.709 -19.365 1.00 40.15 ATOM 1211 O VAL 76 -27.094 7.305 -20.328 1.00 22.14 ATOM 1212 N ILE 77 -27.259 5.731 -18.730 1.00 44.34 ATOM 1213 HN ILE 77 -26.811 5.272 -17.989 1.00 37.30 ATOM 1214 CA ILE 77 -28.615 5.314 -19.109 1.00 14.12 ATOM 1215 HA ILE 77 -28.582 4.964 -20.134 1.00 21.10 ATOM 1216 CB ILE 77 -29.108 4.146 -18.213 1.00 32.12 ATOM 1217 HB ILE 77 -29.049 4.469 -17.182 1.00 14.51 ATOM 1218 CG1 ILE 77 -28.207 2.909 -18.402 1.00 54.53 ATOM 1219 HG11 ILE 77 -27.184 3.179 -18.181 1.00 37.30 ATOM 1220 HG12 ILE 77 -28.270 2.579 -19.428 1.00 21.33 ATOM 1221 CG2 ILE 77 -30.567 3.804 -18.520 1.00 43.32 ATOM 1222 HG21 ILE 77 -31.188 4.672 -18.343 1.00 14.11 ATOM 1223 HG22 ILE 77 -30.892 2.996 -17.883 1.00 64.23 ATOM 1224 HG23 ILE 77 -30.658 3.504 -19.554 1.00 22.20 ATOM 1225 CD1 ILE 77 -28.578 1.733 -17.519 1.00 33.22 ATOM 1226 HD11 ILE 77 -27.889 0.920 -17.695 1.00 3.05 ATOM 1227 HD12 ILE 77 -29.581 1.408 -17.754 1.00 42.22 ATOM 1228 HD13 ILE 77 -28.527 2.028 -16.481 1.00 40.33 ATOM 1229 C ILE 77 -29.609 6.488 -19.016 1.00 74.40 ATOM 1230 O ILE 77 -30.337 6.781 -19.970 1.00 41.23 ATOM 1231 N ASN 78 -29.627 7.165 -17.866 1.00 54.32 ATOM 1232 HN ASN 78 -29.041 6.875 -17.136 1.00 37.30 ATOM 1233 CA ASN 78 -30.500 8.327 -17.669 1.00 61.42 ATOM 1234 HA ASN 78 -31.498 8.032 -17.965 1.00 30.02 ATOM 1235 CB ASN 78 -30.534 8.744 -16.191 1.00 50.24 ATOM 1236 HB1 ASN 78 -30.977 9.727 -16.109 1.00 37.30 ATOM 1237 HB2 ASN 78 -29.524 8.778 -15.807 1.00 33.15 ATOM 1238 CG ASN 78 -31.345 7.780 -15.340 1.00 20.11 ATOM 1239 OD1 ASN 78 -32.554 7.927 -15.202 1.00 62.22 ATOM 1240 ND2 ASN 78 -30.696 6.791 -14.762 1.00 65.13 ATOM 1241 HD21 ASN 78 -29.732 6.721 -14.905 1.00 75.23 ATOM 1242 HD22 ASN 78 -31.210 6.169 -14.207 1.00 70.23 ATOM 1243 C ASN 78 -30.072 9.513 -18.548 1.00 54.44 ATOM 1244 O ASN 78 -30.900 10.330 -18.934 1.00 73.42 ATOM 1245 N PHE 79 -28.778 9.603 -18.863 1.00 44.20 ATOM 1246 HN PHE 79 -28.151 8.956 -18.480 1.00 37.30 ATOM 1247 CA PHE 79 -28.267 10.649 -19.762 1.00 22.52 ATOM 1248 HA PHE 79 -28.616 11.602 -19.389 1.00 2.01 ATOM 1249 CB PHE 79 -26.730 10.648 -19.773 1.00 52.53 ATOM 1250 HB1 PHE 79 -26.382 9.712 -20.189 1.00 37.30 ATOM 1251 HB2 PHE 79 -26.372 10.732 -18.756 1.00 32.32 ATOM 1252 CG PHE 79 -26.112 11.771 -20.569 1.00 5.44 ATOM 1253 CD1 PHE 79 -25.471 11.522 -21.775 1.00 4.14 ATOM 1254 HD1 PHE 79 -25.420 10.510 -22.150 1.00 24.21 ATOM 1255 CD2 PHE 79 -26.167 13.079 -20.104 1.00 33.41 ATOM 1256 HD2 PHE 79 -26.664 13.288 -19.168 1.00 35.33 ATOM 1257 CE1 PHE 79 -24.898 12.553 -22.497 1.00 70.12 ATOM 1258 HE1 PHE 79 -24.402 12.346 -23.435 1.00 41.11 ATOM 1259 CE2 PHE 79 -25.597 14.112 -20.824 1.00 61.13 ATOM 1260 HE2 PHE 79 -25.647 15.124 -20.449 1.00 24.44 ATOM 1261 CZ PHE 79 -24.962 13.848 -22.020 1.00 13.20 ATOM 1262 HZ PHE 79 -24.515 14.653 -22.584 1.00 12.23 ATOM 1263 C PHE 79 -28.806 10.447 -21.184 1.00 60.05 ATOM 1264 O PHE 79 -29.367 11.362 -21.783 1.00 44.42 ATOM 1265 N TRP 80 -28.635 9.235 -21.709 1.00 32.33 ATOM 1266 HN TRP 80 -28.121 8.569 -21.205 1.00 37.30 ATOM 1267 CA TRP 80 -29.181 8.867 -23.019 1.00 74.41 ATOM 1268 HA TRP 80 -28.667 9.452 -23.769 1.00 52.13 ATOM 1269 CB TRP 80 -28.929 7.375 -23.285 1.00 73.32 ATOM 1270 HB1 TRP 80 -29.416 6.792 -22.514 1.00 37.30 ATOM 1271 HB2 TRP 80 -27.866 7.188 -23.248 1.00 52.34 ATOM 1272 CG TRP 80 -29.434 6.901 -24.618 1.00 25.31 ATOM 1273 CD1 TRP 80 -28.786 6.991 -25.816 1.00 4.32 ATOM 1274 HD1 TRP 80 -27.808 7.429 -25.946 1.00 73.11 ATOM 1275 CD2 TRP 80 -30.689 6.262 -24.888 1.00 1.31 ATOM 1276 NE1 TRP 80 -29.558 6.452 -26.812 1.00 24.01 ATOM 1277 HE1 TRP 80 -29.307 6.399 -27.759 1.00 62.25 ATOM 1278 CE2 TRP 80 -30.731 5.997 -26.270 1.00 64.24 ATOM 1279 CE3 TRP 80 -31.781 5.888 -24.096 1.00 53.31 ATOM 1280 HE3 TRP 80 -31.791 6.072 -23.031 1.00 5.14 ATOM 1281 CZ2 TRP 80 -31.818 5.377 -26.876 1.00 33.53 ATOM 1282 HZ2 TRP 80 -31.841 5.176 -27.938 1.00 61.02 ATOM 1283 CZ3 TRP 80 -32.860 5.273 -24.702 1.00 61.20 ATOM 1284 HZ3 TRP 80 -33.713 4.977 -24.108 1.00 71.13 ATOM 1285 CH2 TRP 80 -32.871 5.023 -26.080 1.00 13.31 ATOM 1286 HH2 TRP 80 -33.736 4.539 -26.510 1.00 53.21 ATOM 1287 C TRP 80 -30.685 9.170 -23.090 1.00 30.53 ATOM 1288 O TRP 80 -31.154 9.854 -24.002 1.00 4.51 ATOM 1289 N GLN 81 -31.429 8.665 -22.107 1.00 62.31 ATOM 1290 HN GLN 81 -30.997 8.100 -21.429 1.00 37.30 ATOM 1291 CA GLN 81 -32.870 8.917 -22.006 1.00 42.05 ATOM 1292 HA GLN 81 -33.337 8.532 -22.902 1.00 3.32 ATOM 1293 CB GLN 81 -33.443 8.174 -20.788 1.00 74.31 ATOM 1294 HB1 GLN 81 -32.939 8.525 -19.897 1.00 37.30 ATOM 1295 HB2 GLN 81 -33.245 7.118 -20.904 1.00 33.41 ATOM 1296 CG GLN 81 -34.945 8.359 -20.592 1.00 33.14 ATOM 1297 HG1 GLN 81 -35.458 8.003 -21.473 1.00 37.30 ATOM 1298 HG2 GLN 81 -35.153 9.412 -20.458 1.00 50.25 ATOM 1299 CD GLN 81 -35.472 7.606 -19.383 1.00 60.54 ATOM 1300 OE1 GLN 81 -35.877 6.452 -19.476 1.00 65.53 ATOM 1301 NE2 GLN 81 -35.465 8.254 -18.237 1.00 14.04 ATOM 1302 HE21 GLN 81 -35.126 9.171 -18.226 1.00 22.11 ATOM 1303 HE22 GLN 81 -35.800 7.791 -17.444 1.00 43.20 ATOM 1304 C GLN 81 -33.165 10.424 -21.902 1.00 62.13 ATOM 1305 O GLN 81 -34.106 10.925 -22.514 1.00 35.55 ATOM 1306 N ASP 82 -32.343 11.137 -21.136 1.00 5.30 ATOM 1307 HN ASP 82 -31.614 10.677 -20.669 1.00 37.30 ATOM 1308 CA ASP 82 -32.488 12.585 -20.967 1.00 42.51 ATOM 1309 HA ASP 82 -33.474 12.773 -20.565 1.00 61.24 ATOM 1310 CB ASP 82 -31.439 13.092 -19.970 1.00 40.20 ATOM 1311 HB1 ASP 82 -30.453 12.926 -20.382 1.00 37.30 ATOM 1312 HB2 ASP 82 -31.531 12.535 -19.048 1.00 20.30 ATOM 1313 CG ASP 82 -31.589 14.563 -19.651 1.00 3.35 ATOM 1314 OD1 ASP 82 -32.647 14.954 -19.119 1.00 52.11 ATOM 1315 OD2 ASP 82 -30.648 15.337 -19.914 1.00 54.14 ATOM 1316 C ASP 82 -32.350 13.319 -22.311 1.00 33.44 ATOM 1317 O ASP 82 -33.100 14.256 -22.606 1.00 33.23 ATOM 1318 N LEU 83 -31.391 12.881 -23.124 1.00 33.23 ATOM 1319 HN LEU 83 -30.794 12.165 -22.812 1.00 37.30 ATOM 1320 CA LEU 83 -31.191 13.440 -24.464 1.00 51.45 ATOM 1321 HA LEU 83 -31.078 14.511 -24.364 1.00 53.01 ATOM 1322 CB LEU 83 -29.921 12.863 -25.102 1.00 70.14 ATOM 1323 HB1 LEU 83 -29.793 13.317 -26.075 1.00 37.30 ATOM 1324 HB2 LEU 83 -30.065 11.798 -25.238 1.00 50.35 ATOM 1325 CG LEU 83 -28.628 13.075 -24.302 1.00 74.40 ATOM 1326 HG LEU 83 -28.714 12.557 -23.357 1.00 10.33 ATOM 1327 CD1 LEU 83 -27.436 12.479 -25.045 1.00 40.23 ATOM 1328 HD11 LEU 83 -27.331 12.960 -26.008 1.00 34.51 ATOM 1329 HD12 LEU 83 -27.593 11.420 -25.187 1.00 70.44 ATOM 1330 HD13 LEU 83 -26.537 12.634 -24.467 1.00 24.13 ATOM 1331 CD2 LEU 83 -28.409 14.559 -24.006 1.00 14.41 ATOM 1332 HD21 LEU 83 -27.482 14.689 -23.468 1.00 74.02 ATOM 1333 HD22 LEU 83 -29.228 14.931 -23.401 1.00 34.10 ATOM 1334 HD23 LEU 83 -28.368 15.114 -24.933 1.00 63.21 ATOM 1335 C LEU 83 -32.398 13.150 -25.367 1.00 0.30 ATOM 1336 O LEU 83 -32.893 14.039 -26.062 1.00 34.43 ATOM 1337 N LYS 84 -32.866 11.901 -25.348 1.00 3.22 ATOM 1338 HN LYS 84 -32.414 11.233 -24.786 1.00 37.30 ATOM 1339 CA LYS 84 -34.031 11.495 -26.144 1.00 34.12 ATOM 1340 HA LYS 84 -33.805 11.701 -27.182 1.00 45.34 ATOM 1341 CB LYS 84 -34.289 9.988 -25.983 1.00 40.53 ATOM 1342 HB1 LYS 84 -35.120 9.707 -26.614 1.00 37.30 ATOM 1343 HB2 LYS 84 -34.549 9.787 -24.953 1.00 13.32 ATOM 1344 CG LYS 84 -33.091 9.112 -26.352 1.00 23.23 ATOM 1345 HG1 LYS 84 -33.327 8.084 -26.113 1.00 37.30 ATOM 1346 HG2 LYS 84 -32.241 9.427 -25.764 1.00 0.34 ATOM 1347 CD LYS 84 -32.720 9.206 -27.837 1.00 53.31 ATOM 1348 HD1 LYS 84 -31.686 8.909 -27.957 1.00 37.30 ATOM 1349 HD2 LYS 84 -32.834 10.229 -28.163 1.00 4.10 ATOM 1350 CE LYS 84 -33.593 8.312 -28.721 1.00 32.53 ATOM 1351 HE1 LYS 84 -33.523 7.296 -28.358 1.00 37.30 ATOM 1352 HE2 LYS 84 -33.216 8.353 -29.732 1.00 13.21 ATOM 1353 NZ LYS 84 -35.024 8.724 -28.731 1.00 23.11 ATOM 1354 HZ1 LYS 84 -35.117 9.706 -29.061 1.00 44.31 ATOM 1355 HZ2 LYS 84 -35.429 8.649 -27.778 1.00 45.41 ATOM 1356 HZ3 LYS 84 -35.566 8.107 -29.368 1.00 3.42 ATOM 1357 C LYS 84 -35.284 12.294 -25.745 1.00 71.31 ATOM 1358 O LYS 84 -36.039 12.750 -26.605 1.00 63.52 ATOM 1359 N ASN 85 -35.492 12.467 -24.439 1.00 33.35 ATOM 1360 HN ASN 85 -34.879 12.042 -23.802 1.00 37.30 ATOM 1361 CA ASN 85 -36.615 13.264 -23.926 1.00 63.14 ATOM 1362 HA ASN 85 -37.528 12.828 -24.307 1.00 61.02 ATOM 1363 CB ASN 85 -36.653 13.230 -22.391 1.00 10.25 ATOM 1364 HB1 ASN 85 -37.440 13.885 -22.043 1.00 37.30 ATOM 1365 HB2 ASN 85 -35.706 13.579 -22.005 1.00 72.35 ATOM 1366 CG ASN 85 -36.911 11.840 -21.840 1.00 14.22 ATOM 1367 OD1 ASN 85 -37.530 11.005 -22.492 1.00 4.20 ATOM 1368 ND2 ASN 85 -36.455 11.584 -20.629 1.00 3.20 ATOM 1369 HD21 ASN 85 -35.980 12.296 -20.150 1.00 73.05 ATOM 1370 HD22 ASN 85 -36.615 10.694 -20.258 1.00 3.22 ATOM 1371 C ASN 85 -36.530 14.720 -24.404 1.00 63.34 ATOM 1372 O ASN 85 -37.486 15.267 -24.951 1.00 54.30 ATOM 1373 N GLN 86 -35.371 15.340 -24.204 1.00 23.32 ATOM 1374 HN GLN 86 -34.634 14.848 -23.777 1.00 37.30 ATOM 1375 CA GLN 86 -35.165 16.738 -24.598 1.00 52.23 ATOM 1376 HA GLN 86 -36.085 17.272 -24.401 1.00 15.04 ATOM 1377 CB GLN 86 -34.049 17.365 -23.755 1.00 3.15 ATOM 1378 HB1 GLN 86 -33.905 18.389 -24.073 1.00 37.30 ATOM 1379 HB2 GLN 86 -33.133 16.814 -23.923 1.00 5.34 ATOM 1380 CG GLN 86 -34.343 17.367 -22.260 1.00 4.12 ATOM 1381 HG1 GLN 86 -34.421 16.343 -21.920 1.00 37.30 ATOM 1382 HG2 GLN 86 -35.283 17.872 -22.091 1.00 41.35 ATOM 1383 CD GLN 86 -33.267 18.067 -21.453 1.00 54.41 ATOM 1384 OE1 GLN 86 -33.335 19.266 -21.213 1.00 11.55 ATOM 1385 NE2 GLN 86 -32.265 17.327 -21.033 1.00 45.30 ATOM 1386 HE21 GLN 86 -32.263 16.375 -21.258 1.00 14.53 ATOM 1387 HE22 GLN 86 -31.563 17.761 -20.508 1.00 0.01 ATOM 1388 C GLN 86 -34.838 16.874 -26.094 1.00 31.23 ATOM 1389 O GLN 86 -34.569 17.974 -26.575 1.00 21.13 ATOM 1390 N ASN 87 -34.846 15.748 -26.815 1.00 62.24 ATOM 1391 HN ASN 87 -34.990 14.895 -26.352 1.00 37.30 ATOM 1392 CA ASN 87 -34.622 15.733 -28.273 1.00 73.42 ATOM 1393 HA ASN 87 -34.677 14.703 -28.593 1.00 23.03 ATOM 1394 CB ASN 87 -35.721 16.533 -29.000 1.00 13.30 ATOM 1395 HB1 ASN 87 -35.490 16.566 -30.057 1.00 37.30 ATOM 1396 HB2 ASN 87 -35.736 17.540 -28.613 1.00 22.21 ATOM 1397 CG ASN 87 -37.117 15.941 -28.832 1.00 43.54 ATOM 1398 OD1 ASN 87 -37.939 16.003 -29.736 1.00 0.34 ATOM 1399 ND2 ASN 87 -37.413 15.389 -27.672 1.00 55.44 ATOM 1400 HD21 ASN 87 -36.737 15.381 -26.972 1.00 14.51 ATOM 1401 HD22 ASN 87 -38.310 15.010 -27.561 1.00 0.12 ATOM 1402 C ASN 87 -33.228 16.280 -28.645 1.00 64.34 ATOM 1403 O ASN 87 -32.999 16.716 -29.775 1.00 31.34 ATOM 1404 N LYS 88 -32.294 16.222 -27.696 1.00 12.53 ATOM 1405 HN LYS 88 -32.518 15.807 -26.836 1.00 37.30 ATOM 1406 CA LYS 88 -30.941 16.745 -27.906 1.00 11.43 ATOM 1407 HA LYS 88 -31.036 17.729 -28.346 1.00 3.22 ATOM 1408 CB LYS 88 -30.193 16.877 -26.569 1.00 73.54 ATOM 1409 HB1 LYS 88 -29.166 17.151 -26.771 1.00 37.30 ATOM 1410 HB2 LYS 88 -30.203 15.918 -26.069 1.00 53.32 ATOM 1411 CG LYS 88 -30.783 17.913 -25.618 1.00 71.50 ATOM 1412 HG1 LYS 88 -31.781 17.607 -25.341 1.00 37.30 ATOM 1413 HG2 LYS 88 -30.826 18.867 -26.123 1.00 70.44 ATOM 1414 CD LYS 88 -29.937 18.058 -24.353 1.00 21.14 ATOM 1415 HD1 LYS 88 -28.922 18.300 -24.637 1.00 37.30 ATOM 1416 HD2 LYS 88 -29.945 17.119 -23.817 1.00 31.41 ATOM 1417 CE LYS 88 -30.464 19.152 -23.433 1.00 74.11 ATOM 1418 HE1 LYS 88 -31.469 18.895 -23.125 1.00 37.30 ATOM 1419 HE2 LYS 88 -30.483 20.086 -23.976 1.00 0.40 ATOM 1420 NZ LYS 88 -29.612 19.316 -22.223 1.00 35.14 ATOM 1421 HZ1 LYS 88 -28.642 19.559 -22.498 1.00 4.42 ATOM 1422 HZ2 LYS 88 -29.591 18.435 -21.673 1.00 1.31 ATOM 1423 HZ3 LYS 88 -29.988 20.076 -21.616 1.00 40.22 ATOM 1424 C LYS 88 -30.128 15.858 -28.862 1.00 22.10 ATOM 1425 O LYS 88 -29.744 14.737 -28.516 1.00 70.41 ATOM 1426 N GLN 89 -29.880 16.358 -30.067 1.00 21.04 ATOM 1427 HN GLN 89 -30.299 17.206 -30.324 1.00 37.30 ATOM 1428 CA GLN 89 -29.013 15.668 -31.025 1.00 42.41 ATOM 1429 HA GLN 89 -29.050 14.608 -30.806 1.00 52.22 ATOM 1430 CB GLN 89 -29.512 15.894 -32.462 1.00 74.11 ATOM 1431 HB1 GLN 89 -28.884 15.336 -33.141 1.00 37.30 ATOM 1432 HB2 GLN 89 -29.435 16.946 -32.698 1.00 22.40 ATOM 1433 CG GLN 89 -30.958 15.460 -32.684 1.00 61.22 ATOM 1434 HG1 GLN 89 -31.594 16.036 -32.026 1.00 37.30 ATOM 1435 HG2 GLN 89 -31.049 14.412 -32.439 1.00 61.31 ATOM 1436 CD GLN 89 -31.426 15.665 -34.118 1.00 62.31 ATOM 1437 OE1 GLN 89 -30.642 15.594 -35.060 1.00 72.31 ATOM 1438 NE2 GLN 89 -32.705 15.923 -34.295 1.00 55.31 ATOM 1439 HE21 GLN 89 -33.281 15.971 -33.507 1.00 21.14 ATOM 1440 HE22 GLN 89 -33.025 16.051 -35.212 1.00 24.20 ATOM 1441 C GLN 89 -27.560 16.152 -30.874 1.00 21.54 ATOM 1442 O GLN 89 -27.112 17.056 -31.582 1.00 64.22 ATOM 1443 N ILE 90 -26.839 15.566 -29.920 1.00 31.25 ATOM 1444 HN ILE 90 -27.238 14.837 -29.403 1.00 37.30 ATOM 1445 CA ILE 90 -25.462 15.984 -29.626 1.00 31.23 ATOM 1446 HA ILE 90 -25.304 16.951 -30.089 1.00 64.43 ATOM 1447 CB ILE 90 -25.223 16.145 -28.099 1.00 63.20 ATOM 1448 HB ILE 90 -24.226 16.542 -27.958 1.00 5.41 ATOM 1449 CG1 ILE 90 -25.327 14.790 -27.376 1.00 13.24 ATOM 1450 HG11 ILE 90 -24.674 14.076 -27.862 1.00 37.30 ATOM 1451 HG12 ILE 90 -26.344 14.434 -27.433 1.00 61.11 ATOM 1452 CG2 ILE 90 -26.214 17.149 -27.508 1.00 3.14 ATOM 1453 HG21 ILE 90 -26.026 17.263 -26.450 1.00 62.11 ATOM 1454 HG22 ILE 90 -27.224 16.791 -27.656 1.00 11.24 ATOM 1455 HG23 ILE 90 -26.097 18.105 -27.998 1.00 62.21 ATOM 1456 CD1 ILE 90 -24.940 14.852 -25.911 1.00 4.14 ATOM 1457 HD11 ILE 90 -23.931 15.226 -25.819 1.00 52.41 ATOM 1458 HD12 ILE 90 -24.994 13.861 -25.484 1.00 32.44 ATOM 1459 HD13 ILE 90 -25.618 15.507 -25.385 1.00 72.13 ATOM 1460 C ILE 90 -24.423 15.003 -30.191 1.00 22.54 ATOM 1461 O ILE 90 -24.736 13.852 -30.504 1.00 62.24 ATOM 1462 N SER 91 -23.185 15.474 -30.314 1.00 35.24 ATOM 1463 HN SER 91 -23.012 16.410 -30.083 1.00 37.30 ATOM 1464 CA SER 91 -22.070 14.645 -30.785 1.00 4.51 ATOM 1465 HA SER 91 -22.395 14.110 -31.667 1.00 13.42 ATOM 1466 CB SER 91 -20.866 15.532 -31.146 1.00 20.21 ATOM 1467 HB1 SER 91 -20.088 14.923 -31.585 1.00 37.30 ATOM 1468 HB2 SER 91 -20.487 16.003 -30.249 1.00 62.01 ATOM 1469 OG SER 91 -21.222 16.550 -32.071 1.00 0.22 ATOM 1470 HG SER 91 -20.909 17.403 -31.739 1.00 31.44 ATOM 1471 C SER 91 -21.650 13.631 -29.710 1.00 23.14 ATOM 1472 O SER 91 -21.766 13.903 -28.514 1.00 4.23 ATOM 1473 N MET 92 -21.148 12.471 -30.127 1.00 61.32 ATOM 1474 HN MET 92 -21.085 12.292 -31.090 1.00 37.30 ATOM 1475 CA MET 92 -20.681 11.452 -29.175 1.00 35.14 ATOM 1476 HA MET 92 -21.522 11.179 -28.551 1.00 13.52 ATOM 1477 CB MET 92 -20.199 10.203 -29.934 1.00 12.22 ATOM 1478 HB1 MET 92 -19.301 10.453 -30.481 1.00 37.30 ATOM 1479 HB2 MET 92 -20.964 9.911 -30.639 1.00 4.15 ATOM 1480 CG MET 92 -19.895 9.001 -29.042 1.00 4.11 ATOM 1481 HG1 MET 92 -19.801 8.124 -29.666 1.00 37.30 ATOM 1482 HG2 MET 92 -20.718 8.862 -28.356 1.00 52.25 ATOM 1483 SD MET 92 -18.378 9.189 -28.081 1.00 52.02 ATOM 1484 CE MET 92 -17.137 9.140 -29.373 1.00 11.33 ATOM 1485 HE1 MET 92 -16.158 9.273 -28.935 1.00 4.51 ATOM 1486 HE2 MET 92 -17.325 9.930 -30.084 1.00 22.40 ATOM 1487 HE3 MET 92 -17.178 8.184 -29.876 1.00 53.53 ATOM 1488 C MET 92 -19.566 12.023 -28.276 1.00 70.44 ATOM 1489 O MET 92 -19.482 11.707 -27.086 1.00 55.40 ATOM 1490 N ALA 93 -18.732 12.894 -28.851 1.00 22.20 ATOM 1491 HN ALA 93 -18.813 13.061 -29.816 1.00 37.30 ATOM 1492 CA ALA 93 -17.692 13.598 -28.093 1.00 33.01 ATOM 1493 HA ALA 93 -17.030 12.854 -27.670 1.00 32.10 ATOM 1494 CB ALA 93 -16.871 14.483 -29.025 1.00 52.35 ATOM 1495 HB1 ALA 93 -16.474 13.883 -29.832 1.00 34.30 ATOM 1496 HB2 ALA 93 -16.054 14.931 -28.477 1.00 50.52 ATOM 1497 HB3 ALA 93 -17.500 15.262 -29.432 1.00 53.52 ATOM 1498 C ALA 93 -18.295 14.432 -26.948 1.00 73.51 ATOM 1499 O ALA 93 -17.718 14.521 -25.861 1.00 40.12 ATOM 1500 N GLU 94 -19.468 15.030 -27.192 1.00 71.53 ATOM 1501 HN GLU 94 -19.866 14.947 -28.084 1.00 37.30 ATOM 1502 CA GLU 94 -20.178 15.801 -26.160 1.00 44.23 ATOM 1503 HA GLU 94 -19.503 16.567 -25.805 1.00 14.22 ATOM 1504 CB GLU 94 -21.433 16.475 -26.741 1.00 1.13 ATOM 1505 HB1 GLU 94 -21.987 16.936 -25.934 1.00 37.30 ATOM 1506 HB2 GLU 94 -22.053 15.717 -27.200 1.00 31.32 ATOM 1507 CG GLU 94 -21.138 17.547 -27.789 1.00 52.13 ATOM 1508 HG1 GLU 94 -20.704 17.071 -28.659 1.00 37.30 ATOM 1509 HG2 GLU 94 -20.428 18.250 -27.376 1.00 1.30 ATOM 1510 CD GLU 94 -22.383 18.313 -28.220 1.00 64.24 ATOM 1511 OE1 GLU 94 -22.952 19.048 -27.384 1.00 25.03 ATOM 1512 OE2 GLU 94 -22.794 18.196 -29.394 1.00 22.33 ATOM 1513 C GLU 94 -20.566 14.905 -24.973 1.00 3.30 ATOM 1514 O GLU 94 -20.579 15.349 -23.822 1.00 22.54 ATOM 1515 N ALA 95 -20.879 13.641 -25.263 1.00 64.31 ATOM 1516 HN ALA 95 -20.937 13.370 -26.206 1.00 37.30 ATOM 1517 CA ALA 95 -21.144 12.648 -24.217 1.00 4.54 ATOM 1518 HA ALA 95 -21.853 13.078 -23.520 1.00 13.31 ATOM 1519 CB ALA 95 -21.773 11.395 -24.821 1.00 42.51 ATOM 1520 HB1 ALA 95 -21.995 10.685 -24.035 1.00 22.13 ATOM 1521 HB2 ALA 95 -21.085 10.947 -25.524 1.00 64.41 ATOM 1522 HB3 ALA 95 -22.687 11.660 -25.333 1.00 62.30 ATOM 1523 C ALA 95 -19.852 12.296 -23.460 1.00 72.01 ATOM 1524 O ALA 95 -19.855 12.139 -22.238 1.00 62.43 ATOM 1525 N GLN 96 -18.747 12.181 -24.201 1.00 55.53 ATOM 1526 HN GLN 96 -18.825 12.246 -25.178 1.00 37.30 ATOM 1527 CA GLN 96 -17.420 11.952 -23.607 1.00 61.40 ATOM 1528 HA GLN 96 -17.480 11.053 -23.009 1.00 51.24 ATOM 1529 CB GLN 96 -16.377 11.739 -24.715 1.00 32.35 ATOM 1530 HB1 GLN 96 -15.388 11.835 -24.289 1.00 37.30 ATOM 1531 HB2 GLN 96 -16.509 12.504 -25.467 1.00 71.22 ATOM 1532 CG GLN 96 -16.474 10.376 -25.398 1.00 14.31 ATOM 1533 HG1 GLN 96 -15.850 10.383 -26.280 1.00 37.30 ATOM 1534 HG2 GLN 96 -17.500 10.200 -25.688 1.00 42.13 ATOM 1535 CD GLN 96 -16.022 9.244 -24.491 1.00 64.51 ATOM 1536 OE1 GLN 96 -14.864 8.838 -24.506 1.00 14.30 ATOM 1537 NE2 GLN 96 -16.924 8.741 -23.679 1.00 4.20 ATOM 1538 HE21 GLN 96 -17.828 9.112 -23.705 1.00 60.23 ATOM 1539 HE22 GLN 96 -16.646 8.029 -23.065 1.00 41.44 ATOM 1540 C GLN 96 -16.995 13.114 -22.692 1.00 43.34 ATOM 1541 O GLN 96 -16.193 12.934 -21.775 1.00 10.45 ATOM 1542 N GLY 97 -17.527 14.307 -22.954 1.00 42.25 ATOM 1543 HN GLY 97 -18.069 14.423 -23.763 1.00 37.30 ATOM 1544 CA GLY 97 -17.296 15.442 -22.066 1.00 34.01 ATOM 1545 HA1 GLY 97 -17.680 16.334 -22.536 1.00 37.30 ATOM 1546 HA2 GLY 97 -16.233 15.559 -21.912 1.00 62.34 ATOM 1547 C GLY 97 -17.977 15.268 -20.709 1.00 12.41 ATOM 1548 O GLY 97 -17.500 15.772 -19.689 1.00 42.41 ATOM 1549 N LYS 98 -19.101 14.553 -20.700 1.00 73.33 ATOM 1550 HN LYS 98 -19.441 14.197 -21.548 1.00 37.30 ATOM 1551 CA LYS 98 -19.851 14.293 -19.465 1.00 51.11 ATOM 1552 HA LYS 98 -19.688 15.129 -18.797 1.00 5.41 ATOM 1553 CB LYS 98 -21.358 14.197 -19.787 1.00 2.13 ATOM 1554 HB1 LYS 98 -21.584 13.185 -20.094 1.00 37.30 ATOM 1555 HB2 LYS 98 -21.576 14.862 -20.611 1.00 15.42 ATOM 1556 CG LYS 98 -22.292 14.566 -18.625 1.00 35.10 ATOM 1557 HG1 LYS 98 -23.278 14.762 -19.026 1.00 37.30 ATOM 1558 HG2 LYS 98 -21.918 15.463 -18.152 1.00 42.05 ATOM 1559 CD LYS 98 -22.400 13.464 -17.570 1.00 73.33 ATOM 1560 HD1 LYS 98 -21.410 13.230 -17.205 1.00 37.30 ATOM 1561 HD2 LYS 98 -22.832 12.586 -18.025 1.00 20.42 ATOM 1562 CE LYS 98 -23.274 13.891 -16.392 1.00 71.31 ATOM 1563 HE1 LYS 98 -24.251 14.164 -16.765 1.00 37.30 ATOM 1564 HE2 LYS 98 -22.821 14.749 -15.917 1.00 53.35 ATOM 1565 NZ LYS 98 -23.429 12.811 -15.378 1.00 65.50 ATOM 1566 HZ1 LYS 98 -22.500 12.413 -15.128 1.00 45.12 ATOM 1567 HZ2 LYS 98 -24.036 12.051 -15.746 1.00 14.12 ATOM 1568 HZ3 LYS 98 -23.867 13.195 -14.514 1.00 22.42 ATOM 1569 C LYS 98 -19.343 13.007 -18.779 1.00 75.30 ATOM 1570 O LYS 98 -19.356 12.899 -17.552 1.00 60.34 ATOM 1571 N PHE 99 -18.878 12.042 -19.579 1.00 43.52 ATOM 1572 HN PHE 99 -18.892 12.185 -20.548 1.00 37.30 ATOM 1573 CA PHE 99 -18.346 10.772 -19.048 1.00 44.32 ATOM 1574 HA PHE 99 -18.289 10.860 -17.973 1.00 30.54 ATOM 1575 CB PHE 99 -19.285 9.607 -19.398 1.00 32.15 ATOM 1576 HB1 PHE 99 -18.882 8.695 -18.979 1.00 37.30 ATOM 1577 HB2 PHE 99 -19.336 9.506 -20.473 1.00 3.52 ATOM 1578 CG PHE 99 -20.690 9.773 -18.880 1.00 0.20 ATOM 1579 CD1 PHE 99 -21.725 10.129 -19.735 1.00 13.32 ATOM 1580 HD1 PHE 99 -21.517 10.288 -20.783 1.00 11.32 ATOM 1581 CD2 PHE 99 -20.976 9.571 -17.538 1.00 31.54 ATOM 1582 HD2 PHE 99 -20.181 9.295 -16.860 1.00 72.43 ATOM 1583 CE1 PHE 99 -23.011 10.279 -19.261 1.00 50.33 ATOM 1584 HE1 PHE 99 -23.807 10.557 -19.937 1.00 50.40 ATOM 1585 CE2 PHE 99 -22.264 9.722 -17.061 1.00 73.41 ATOM 1586 HE2 PHE 99 -22.475 9.562 -16.014 1.00 5.22 ATOM 1587 CZ PHE 99 -23.281 10.075 -17.923 1.00 31.31 ATOM 1588 HZ PHE 99 -24.290 10.193 -17.550 1.00 74.55 ATOM 1589 C PHE 99 -16.932 10.467 -19.587 1.00 31.13 ATOM 1590 O PHE 99 -16.747 9.540 -20.377 1.00 53.02 ATOM 1591 N PRO 100 -15.908 11.231 -19.159 1.00 40.43 ATOM 1592 CA PRO 100 -14.524 11.040 -19.639 1.00 63.51 ATOM 1593 HA PRO 100 -14.473 11.093 -20.719 1.00 13.34 ATOM 1594 CB PRO 100 -13.776 12.234 -19.031 1.00 22.25 ATOM 1595 HB1 PRO 100 -13.744 13.045 -19.746 1.00 37.30 ATOM 1596 HB2 PRO 100 -12.767 11.943 -18.769 1.00 3.42 ATOM 1597 CG PRO 100 -14.573 12.607 -17.826 1.00 23.12 ATOM 1598 HG1 PRO 100 -14.435 13.656 -17.599 1.00 37.30 ATOM 1599 HG2 PRO 100 -14.273 11.999 -16.983 1.00 30.01 ATOM 1600 CD PRO 100 -16.008 12.335 -18.183 1.00 22.14 ATOM 1601 HD1 PRO 100 -16.460 13.208 -18.632 1.00 37.30 ATOM 1602 HD2 PRO 100 -16.565 12.029 -17.309 1.00 54.43 ATOM 1603 C PRO 100 -13.905 9.712 -19.170 1.00 72.43 ATOM 1604 O PRO 100 -13.054 9.132 -19.851 1.00 71.12 ATOM 1605 N GLU 101 -14.333 9.239 -18.001 1.00 50.30 ATOM 1606 HN GLU 101 -15.002 9.753 -17.498 1.00 37.30 ATOM 1607 CA GLU 101 -13.829 7.981 -17.436 1.00 53.14 ATOM 1608 HA GLU 101 -12.773 7.918 -17.658 1.00 13.13 ATOM 1609 CB GLU 101 -14.012 7.979 -15.914 1.00 2.42 ATOM 1610 HB1 GLU 101 -13.649 7.039 -15.520 1.00 37.30 ATOM 1611 HB2 GLU 101 -15.067 8.070 -15.689 1.00 23.11 ATOM 1612 CG GLU 101 -13.273 9.110 -15.207 1.00 61.34 ATOM 1613 HG1 GLU 101 -13.596 10.055 -15.626 1.00 37.30 ATOM 1614 HG2 GLU 101 -12.212 8.990 -15.378 1.00 0.51 ATOM 1615 CD GLU 101 -13.531 9.126 -13.710 1.00 73.32 ATOM 1616 OE1 GLU 101 -14.569 9.682 -13.292 1.00 54.11 ATOM 1617 OE2 GLU 101 -12.700 8.584 -12.947 1.00 41.11 ATOM 1618 C GLU 101 -14.532 6.760 -18.049 1.00 14.25 ATOM 1619 O GLU 101 -14.085 5.624 -17.877 1.00 51.25 ATOM 1620 N VAL 102 -15.627 6.998 -18.764 1.00 73.30 ATOM 1621 HN VAL 102 -15.931 7.925 -18.880 1.00 37.30 ATOM 1622 CA VAL 102 -16.381 5.919 -19.407 1.00 65.43 ATOM 1623 HA VAL 102 -16.076 4.982 -18.956 1.00 21.12 ATOM 1624 CB VAL 102 -17.905 6.089 -19.193 1.00 2.41 ATOM 1625 HB VAL 102 -18.216 6.997 -19.694 1.00 64.32 ATOM 1626 CG1 VAL 102 -18.676 4.922 -19.807 1.00 5.12 ATOM 1627 HG11 VAL 102 -18.355 3.996 -19.352 1.00 21.12 ATOM 1628 HG12 VAL 102 -18.488 4.883 -20.870 1.00 4.44 ATOM 1629 HG13 VAL 102 -19.734 5.059 -19.635 1.00 52.30 ATOM 1630 CG2 VAL 102 -18.229 6.233 -17.706 1.00 74.54 ATOM 1631 HG21 VAL 102 -19.297 6.337 -17.577 1.00 63.42 ATOM 1632 HG22 VAL 102 -17.733 7.108 -17.310 1.00 71.24 ATOM 1633 HG23 VAL 102 -17.887 5.355 -17.174 1.00 35.24 ATOM 1634 C VAL 102 -16.073 5.870 -20.910 1.00 30.41 ATOM 1635 O VAL 102 -16.382 6.805 -21.651 1.00 43.02 ATOM 1636 N VAL 103 -15.466 4.777 -21.357 1.00 31.35 ATOM 1637 HN VAL 103 -15.318 4.030 -20.738 1.00 37.30 ATOM 1638 CA VAL 103 -15.029 4.647 -22.750 1.00 23.44 ATOM 1639 HA VAL 103 -14.586 5.590 -23.046 1.00 63.12 ATOM 1640 CB VAL 103 -13.951 3.542 -22.898 1.00 41.24 ATOM 1641 HB VAL 103 -14.404 2.593 -22.643 1.00 11.24 ATOM 1642 CG1 VAL 103 -13.452 3.455 -24.342 1.00 14.41 ATOM 1643 HG11 VAL 103 -13.025 4.405 -24.635 1.00 71.41 ATOM 1644 HG12 VAL 103 -14.278 3.216 -24.996 1.00 43.11 ATOM 1645 HG13 VAL 103 -12.699 2.684 -24.419 1.00 25.13 ATOM 1646 CG2 VAL 103 -12.792 3.789 -21.931 1.00 24.22 ATOM 1647 HG21 VAL 103 -13.166 3.816 -20.917 1.00 44.30 ATOM 1648 HG22 VAL 103 -12.319 4.733 -22.164 1.00 43.13 ATOM 1649 HG23 VAL 103 -12.066 2.993 -22.023 1.00 51.45 ATOM 1650 C VAL 103 -16.207 4.339 -23.690 1.00 51.11 ATOM 1651 O VAL 103 -16.707 3.216 -23.735 1.00 51.32 ATOM 1652 N PHE 104 -16.651 5.347 -24.435 1.00 50.31 ATOM 1653 HN PHE 104 -16.255 6.234 -24.321 1.00 37.30 ATOM 1654 CA PHE 104 -17.718 5.163 -25.423 1.00 25.11 ATOM 1655 HA PHE 104 -18.429 4.458 -25.012 1.00 12.11 ATOM 1656 CB PHE 104 -18.440 6.494 -25.698 1.00 11.25 ATOM 1657 HB1 PHE 104 -18.998 6.407 -26.621 1.00 37.30 ATOM 1658 HB2 PHE 104 -17.703 7.276 -25.805 1.00 1.54 ATOM 1659 CG PHE 104 -19.403 6.918 -24.610 1.00 62.13 ATOM 1660 CD1 PHE 104 -19.101 6.723 -23.268 1.00 3.33 ATOM 1661 HD1 PHE 104 -18.166 6.253 -22.997 1.00 70.14 ATOM 1662 CD2 PHE 104 -20.608 7.523 -24.935 1.00 42.22 ATOM 1663 HD2 PHE 104 -20.859 7.684 -25.976 1.00 13.43 ATOM 1664 CE1 PHE 104 -19.981 7.119 -22.279 1.00 13.33 ATOM 1665 HE1 PHE 104 -19.731 6.960 -21.240 1.00 21.42 ATOM 1666 CE2 PHE 104 -21.491 7.918 -23.947 1.00 20.34 ATOM 1667 HE2 PHE 104 -22.428 8.387 -24.215 1.00 11.10 ATOM 1668 CZ PHE 104 -21.177 7.717 -22.618 1.00 33.05 ATOM 1669 HZ PHE 104 -21.866 8.027 -21.845 1.00 53.13 ATOM 1670 C PHE 104 -17.157 4.584 -26.728 1.00 62.22 ATOM 1671 O PHE 104 -16.013 4.853 -27.103 1.00 41.24 ATOM 1672 N SER 105 -17.962 3.780 -27.412 1.00 42.24 ATOM 1673 HN SER 105 -18.871 3.626 -27.080 1.00 37.30 ATOM 1674 CA SER 105 -17.531 3.119 -28.648 1.00 34.33 ATOM 1675 HA SER 105 -16.523 3.448 -28.869 1.00 34.34 ATOM 1676 CB SER 105 -17.524 1.590 -28.469 1.00 21.42 ATOM 1677 HB1 SER 105 -17.262 1.121 -29.406 1.00 37.30 ATOM 1678 HB2 SER 105 -18.508 1.261 -28.167 1.00 50.41 ATOM 1679 OG SER 105 -16.587 1.183 -27.478 1.00 73.04 ATOM 1680 HG SER 105 -16.901 0.372 -27.057 1.00 3.32 ATOM 1681 C SER 105 -18.434 3.497 -29.825 1.00 12.34 ATOM 1682 O SER 105 -19.648 3.282 -29.787 1.00 74.44 ATOM 1683 N GLY 106 -17.830 4.065 -30.865 1.00 45.02 ATOM 1684 HN GLY 106 -16.869 4.262 -30.807 1.00 37.30 ATOM 1685 CA GLY 106 -18.561 4.405 -32.083 1.00 43.04 ATOM 1686 HA1 GLY 106 -18.554 5.478 -32.205 1.00 37.30 ATOM 1687 HA2 GLY 106 -19.587 4.070 -31.993 1.00 73.40 ATOM 1688 C GLY 106 -17.932 3.765 -33.315 1.00 61.04 ATOM 1689 O GLY 106 -16.757 4.000 -33.596 1.00 74.22 ATOM 1690 N SER 107 -18.723 2.972 -34.050 1.00 15.11 ATOM 1691 HN SER 107 -19.683 2.954 -33.843 1.00 37.30 ATOM 1692 CA SER 107 -18.229 2.136 -35.171 1.00 44.22 ATOM 1693 HA SER 107 -19.067 1.533 -35.497 1.00 31.21 ATOM 1694 CB SER 107 -17.758 2.991 -36.372 1.00 73.01 ATOM 1695 HB1 SER 107 -18.552 3.667 -36.657 1.00 37.30 ATOM 1696 HB2 SER 107 -17.532 2.343 -37.206 1.00 54.11 ATOM 1697 OG SER 107 -16.599 3.757 -36.072 1.00 63.04 ATOM 1698 HG SER 107 -16.860 4.591 -35.668 1.00 61.13 ATOM 1699 C SER 107 -17.115 1.176 -34.711 1.00 61.31 ATOM 1700 O SER 107 -17.357 -0.020 -34.522 1.00 72.41 ATOM 1701 N ASN 108 -15.902 1.705 -34.537 1.00 33.22 ATOM 1702 HN ASN 108 -15.761 2.642 -34.792 1.00 37.30 ATOM 1703 CA ASN 108 -14.767 0.950 -33.981 1.00 74.41 ATOM 1704 HA ASN 108 -13.950 1.649 -33.867 1.00 31.22 ATOM 1705 CB ASN 108 -15.125 0.392 -32.590 1.00 31.42 ATOM 1706 HB1 ASN 108 -15.888 -0.366 -32.699 1.00 37.30 ATOM 1707 HB2 ASN 108 -15.509 1.194 -31.976 1.00 24.51 ATOM 1708 CG ASN 108 -13.932 -0.223 -31.876 1.00 4.33 ATOM 1709 OD1 ASN 108 -12.800 0.211 -32.051 1.00 2.44 ATOM 1710 ND2 ASN 108 -14.167 -1.251 -31.087 1.00 44.20 ATOM 1711 HD21 ASN 108 -15.090 -1.570 -31.002 1.00 35.01 ATOM 1712 HD22 ASN 108 -13.407 -1.651 -30.620 1.00 51.12 ATOM 1713 C ASN 108 -14.295 -0.191 -34.911 1.00 72.23 ATOM 1714 O ASN 108 -15.017 -0.637 -35.807 1.00 24.34 ATOM 1715 N LEU 109 -13.071 -0.657 -34.678 1.00 15.05 ATOM 1716 HN LEU 109 -12.540 -0.248 -33.960 1.00 37.30 ATOM 1717 CA LEU 109 -12.484 -1.754 -35.454 1.00 33.30 ATOM 1718 HA LEU 109 -12.638 -1.536 -36.502 1.00 5.02 ATOM 1719 CB LEU 109 -10.972 -1.850 -35.182 1.00 32.44 ATOM 1720 HB1 LEU 109 -10.605 -2.757 -35.644 1.00 37.30 ATOM 1721 HB2 LEU 109 -10.829 -1.932 -34.113 1.00 63.24 ATOM 1722 CG LEU 109 -10.114 -0.670 -35.695 1.00 71.23 ATOM 1723 HG LEU 109 -10.328 -0.511 -36.743 1.00 12.35 ATOM 1724 CD1 LEU 109 -10.441 0.628 -34.956 1.00 32.33 ATOM 1725 HD11 LEU 109 -11.486 0.865 -35.087 1.00 65.51 ATOM 1726 HD12 LEU 109 -9.839 1.433 -35.355 1.00 70.42 ATOM 1727 HD13 LEU 109 -10.229 0.510 -33.902 1.00 61.33 ATOM 1728 CD2 LEU 109 -8.629 -0.995 -35.566 1.00 70.21 ATOM 1729 HD21 LEU 109 -8.044 -0.178 -35.965 1.00 4.20 ATOM 1730 HD22 LEU 109 -8.407 -1.896 -36.119 1.00 74.21 ATOM 1731 HD23 LEU 109 -8.378 -1.142 -34.524 1.00 11.11 ATOM 1732 C LEU 109 -13.167 -3.094 -35.124 1.00 24.03 ATOM 1733 O LEU 109 -13.364 -3.942 -36.000 1.00 63.22 ATOM 1734 N GLU 110 -13.505 -3.284 -33.850 1.00 4.32 ATOM 1735 HN GLU 110 -13.234 -2.615 -33.186 1.00 37.30 ATOM 1736 CA GLU 110 -14.256 -4.467 -33.403 1.00 10.41 ATOM 1737 HA GLU 110 -14.384 -5.124 -34.254 1.00 24.44 ATOM 1738 CB GLU 110 -13.478 -5.215 -32.309 1.00 20.24 ATOM 1739 HB1 GLU 110 -14.062 -6.066 -31.983 1.00 37.30 ATOM 1740 HB2 GLU 110 -13.334 -4.551 -31.468 1.00 13.14 ATOM 1741 CG GLU 110 -12.111 -5.720 -32.762 1.00 1.51 ATOM 1742 HG1 GLU 110 -11.502 -4.871 -33.036 1.00 37.30 ATOM 1743 HG2 GLU 110 -12.246 -6.355 -33.627 1.00 23.32 ATOM 1744 CD GLU 110 -11.387 -6.514 -31.685 1.00 62.51 ATOM 1745 OE1 GLU 110 -11.527 -7.756 -31.659 1.00 61.43 ATOM 1746 OE2 GLU 110 -10.672 -5.904 -30.863 1.00 5.44 ATOM 1747 C GLU 110 -15.645 -4.064 -32.881 1.00 72.54 ATOM 1748 O GLU 110 -15.774 -3.131 -32.088 1.00 52.33 ATOM 1749 N HIS 111 -16.685 -4.768 -33.327 1.00 2.40 ATOM 1750 HN HIS 111 -16.524 -5.544 -33.912 1.00 37.30 ATOM 1751 CA HIS 111 -18.064 -4.417 -32.959 1.00 25.12 ATOM 1752 HA HIS 111 -18.047 -4.083 -31.931 1.00 61.33 ATOM 1753 CB HIS 111 -18.560 -3.254 -33.838 1.00 75.32 ATOM 1754 HB1 HIS 111 -18.182 -2.323 -33.440 1.00 37.30 ATOM 1755 HB2 HIS 111 -19.640 -3.232 -33.821 1.00 43.44 ATOM 1756 CG HIS 111 -18.127 -3.352 -35.273 1.00 4.21 ATOM 1757 ND1 HIS 111 -17.335 -2.404 -35.889 1.00 34.11 ATOM 1758 HD1 HIS 111 -16.989 -1.585 -35.471 1.00 14.44 ATOM 1759 CD2 HIS 111 -18.375 -4.293 -36.215 1.00 61.11 ATOM 1760 HD2 HIS 111 -18.970 -5.187 -36.090 1.00 73.22 ATOM 1761 CE1 HIS 111 -17.117 -2.757 -37.137 1.00 35.33 ATOM 1762 HE1 HIS 111 -16.532 -2.204 -37.858 1.00 63.33 ATOM 1763 NE2 HIS 111 -17.734 -3.896 -37.360 1.00 32.34 ATOM 1764 HE2 HIS 111 -17.808 -4.333 -38.233 1.00 37.30 ATOM 1765 C HIS 111 -19.024 -5.617 -33.053 1.00 40.24 ATOM 1766 O HIS 111 -18.876 -6.486 -33.913 1.00 21.21 ATOM 1767 N HIS 112 -20.016 -5.642 -32.160 1.00 51.33 ATOM 1768 HN HIS 112 -20.082 -4.910 -31.511 1.00 37.30 ATOM 1769 CA HIS 112 -21.011 -6.722 -32.111 1.00 44.02 ATOM 1770 HA HIS 112 -20.478 -7.664 -32.146 1.00 12.24 ATOM 1771 CB HIS 112 -21.797 -6.645 -30.786 1.00 54.30 ATOM 1772 HB1 HIS 112 -22.274 -5.677 -30.715 1.00 37.30 ATOM 1773 HB2 HIS 112 -21.107 -6.755 -29.964 1.00 52.43 ATOM 1774 CG HIS 112 -22.863 -7.696 -30.628 1.00 55.45 ATOM 1775 ND1 HIS 112 -22.661 -8.870 -29.937 1.00 71.32 ATOM 1776 HD1 HIS 112 -21.828 -9.133 -29.489 1.00 20.23 ATOM 1777 CD2 HIS 112 -24.151 -7.737 -31.054 1.00 12.34 ATOM 1778 HD2 HIS 112 -24.661 -6.980 -31.636 1.00 31.55 ATOM 1779 CE1 HIS 112 -23.766 -9.586 -29.947 1.00 30.45 ATOM 1780 HE1 HIS 112 -23.894 -10.555 -29.486 1.00 13.51 ATOM 1781 NE2 HIS 112 -24.684 -8.923 -30.614 1.00 5.11 ATOM 1782 HE2 HIS 112 -25.562 -9.286 -30.874 1.00 37.30 ATOM 1783 C HIS 112 -21.981 -6.657 -33.302 1.00 64.30 ATOM 1784 O HIS 112 -22.921 -5.861 -33.301 1.00 24.32 ATOM 1785 N HIS 113 -21.748 -7.492 -34.314 1.00 50.21 ATOM 1786 HN HIS 113 -20.939 -8.040 -34.301 1.00 37.30 ATOM 1787 CA HIS 113 -22.667 -7.582 -35.458 1.00 14.54 ATOM 1788 HA HIS 113 -22.865 -6.569 -35.783 1.00 31.51 ATOM 1789 CB HIS 113 -22.022 -8.348 -36.627 1.00 55.44 ATOM 1790 HB1 HIS 113 -21.167 -7.788 -36.980 1.00 37.30 ATOM 1791 HB2 HIS 113 -22.739 -8.430 -37.430 1.00 44.40 ATOM 1792 CG HIS 113 -21.556 -9.732 -36.294 1.00 11.21 ATOM 1793 ND1 HIS 113 -22.222 -10.866 -36.702 1.00 72.23 ATOM 1794 HD1 HIS 113 -23.052 -10.886 -37.226 1.00 72.35 ATOM 1795 CD2 HIS 113 -20.466 -10.165 -35.617 1.00 23.52 ATOM 1796 HD2 HIS 113 -19.714 -9.545 -35.149 1.00 13.40 ATOM 1797 CE1 HIS 113 -21.566 -11.931 -36.292 1.00 10.02 ATOM 1798 HE1 HIS 113 -21.857 -12.957 -36.466 1.00 12.41 ATOM 1799 NE2 HIS 113 -20.496 -11.537 -35.634 1.00 72.42 ATOM 1800 HE2 HIS 113 -19.744 -12.119 -35.393 1.00 37.30 ATOM 1801 C HIS 113 -24.010 -8.216 -35.045 1.00 11.33 ATOM 1802 O HIS 113 -24.077 -8.988 -34.086 1.00 53.02 ATOM 1803 N HIS 114 -25.072 -7.892 -35.783 1.00 1.20 ATOM 1804 HN HIS 114 -24.929 -7.425 -36.634 1.00 37.30 ATOM 1805 CA HIS 114 -26.449 -8.228 -35.376 1.00 24.52 ATOM 1806 HA HIS 114 -26.419 -8.548 -34.344 1.00 31.13 ATOM 1807 CB HIS 114 -27.326 -6.968 -35.467 1.00 71.05 ATOM 1808 HB1 HIS 114 -27.060 -6.294 -34.664 1.00 37.30 ATOM 1809 HB2 HIS 114 -28.365 -7.247 -35.364 1.00 60.22 ATOM 1810 CG HIS 114 -27.173 -6.224 -36.766 1.00 13.21 ATOM 1811 ND1 HIS 114 -26.627 -4.963 -36.851 1.00 1.54 ATOM 1812 HD1 HIS 114 -26.306 -4.426 -36.095 1.00 62.53 ATOM 1813 CD2 HIS 114 -27.490 -6.575 -38.037 1.00 52.32 ATOM 1814 HD2 HIS 114 -27.940 -7.505 -38.351 1.00 64.50 ATOM 1815 CE1 HIS 114 -26.613 -4.572 -38.109 1.00 75.33 ATOM 1816 HE1 HIS 114 -26.244 -3.624 -38.469 1.00 40.33 ATOM 1817 NE2 HIS 114 -27.128 -5.530 -38.852 1.00 64.31 ATOM 1818 HE2 HIS 114 -26.987 -5.607 -39.820 1.00 37.30 ATOM 1819 C HIS 114 -27.076 -9.360 -36.214 1.00 21.31 ATOM 1820 O HIS 114 -26.504 -9.813 -37.207 1.00 12.23 ATOM 1821 N HIS 115 -28.264 -9.808 -35.791 1.00 63.34 ATOM 1822 HN HIS 115 -28.634 -9.445 -34.957 1.00 37.30 ATOM 1823 CA HIS 115 -29.028 -10.832 -36.519 1.00 23.25 ATOM 1824 HA HIS 115 -29.005 -10.583 -37.571 1.00 32.32 ATOM 1825 CB HIS 115 -28.395 -12.217 -36.316 1.00 65.13 ATOM 1826 HB1 HIS 115 -27.328 -12.143 -36.477 1.00 37.30 ATOM 1827 HB2 HIS 115 -28.814 -12.906 -37.036 1.00 34.03 ATOM 1828 CG HIS 115 -28.616 -12.792 -34.944 1.00 53.31 ATOM 1829 ND1 HIS 115 -28.124 -12.217 -33.794 1.00 5.41 ATOM 1830 HD1 HIS 115 -27.578 -11.401 -33.747 1.00 33.52 ATOM 1831 CD2 HIS 115 -29.298 -13.894 -34.543 1.00 63.32 ATOM 1832 HD2 HIS 115 -29.822 -14.592 -35.180 1.00 15.44 ATOM 1833 CE1 HIS 115 -28.488 -12.935 -32.751 1.00 12.31 ATOM 1834 HE1 HIS 115 -28.248 -12.719 -31.720 1.00 73.05 ATOM 1835 NE2 HIS 115 -29.199 -13.955 -33.176 1.00 33.44 ATOM 1836 HE2 HIS 115 -29.468 -14.718 -32.623 1.00 37.30 ATOM 1837 C HIS 115 -30.496 -10.864 -36.049 1.00 23.35 ATOM 1838 O HIS 115 -30.806 -10.462 -34.926 1.00 54.02 ATOM 1839 N HIS 116 -31.395 -11.341 -36.908 1.00 12.54 ATOM 1840 HN HIS 116 -31.105 -11.578 -37.818 1.00 37.30 ATOM 1841 HA HIS 116 -32.969 -11.002 -35.601 1.00 33.13 ATOM 1842 CB HIS 116 -33.725 -10.870 -37.597 1.00 72.41 ATOM 1843 HB1 HIS 116 -34.739 -11.214 -37.448 1.00 37.30 ATOM 1844 HB2 HIS 116 -33.392 -11.166 -38.581 1.00 73.12 ATOM 1845 CG HIS 116 -33.734 -9.374 -37.545 1.00 53.21 ATOM 1846 ND1 HIS 116 -34.850 -8.643 -37.201 1.00 32.13 ATOM 1847 HD1 HIS 116 -35.732 -9.013 -36.982 1.00 3.44 ATOM 1848 CD2 HIS 116 -32.757 -8.468 -37.784 1.00 22.44 ATOM 1849 HD2 HIS 116 -31.740 -8.685 -38.082 1.00 40.03 ATOM 1850 CE1 HIS 116 -34.563 -7.360 -37.230 1.00 2.12 ATOM 1851 HE1 HIS 116 -35.246 -6.555 -37.004 1.00 23.12 ATOM 1852 NE2 HIS 116 -33.301 -7.225 -37.579 1.00 63.22 ATOM 1853 HE2 HIS 116 -32.872 -6.374 -37.811 1.00 37.30 ATOM 1854 CA HIS 116 -32.815 -11.512 -36.543 1.00 44.32 ATOM 1855 C HIS 116 -33.185 -12.998 -36.354 1.00 12.52 ATOM 1856 OT1 HIS 116 -33.584 -13.377 -35.231 1.00 37.30 ATOM 1857 OT2 HIS 116 -33.054 -13.780 -37.319 1.00 37.30 ATOM 1858 OH2 TIP3 1 -38.720 -16.354 -42.540 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -38.405 -16.598 -41.644 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -38.290 -16.988 -43.122 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -39.952 -15.866 -39.007 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -40.499 -16.611 -38.753 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -39.179 -16.273 -39.449 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -37.827 -8.050 -36.839 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -38.479 -8.628 -36.378 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -37.607 -8.550 -37.660 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -38.852 -13.419 -39.370 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -39.314 -14.204 -38.999 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -38.943 -13.533 -40.344 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -35.169 -16.784 -41.343 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -34.456 -16.671 -42.008 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -34.915 -16.171 -40.618 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -39.534 -13.832 -41.956 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -39.146 -14.696 -42.225 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -40.462 -13.911 -42.186 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -35.035 -12.120 -40.375 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -34.963 -12.331 -41.312 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -34.966 -11.147 -40.344 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -30.584 -14.685 -37.928 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -31.435 -14.280 -37.636 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -30.831 -15.193 -38.725 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -33.399 -16.288 -36.258 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -34.021 -16.168 -35.529 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -33.262 -15.374 -36.609 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -37.605 -16.937 -40.084 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -37.280 -16.766 -39.171 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -36.783 -16.996 -40.620 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -34.390 -15.404 -39.090 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -34.010 -14.646 -38.589 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -35.175 -15.666 -38.565 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -37.008 -9.540 -38.876 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -37.804 -9.955 -39.282 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -36.351 -9.520 -39.604 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -38.268 -10.490 -33.536 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -37.443 -10.953 -33.768 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -38.100 -10.132 -32.650 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -34.640 -6.681 -40.557 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -33.894 -6.140 -40.244 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -35.379 -6.056 -40.604 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -35.903 -18.634 -36.186 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -35.798 -19.376 -35.585 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -35.155 -18.726 -36.817 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -33.662 -19.035 -40.596 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -34.338 -18.443 -40.973 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -33.826 -19.000 -39.637 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -38.254 -12.614 -30.939 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -39.148 -12.966 -30.867 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -37.883 -13.062 -31.732 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -28.203 -11.067 -44.586 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -28.700 -11.921 -44.525 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -27.811 -11.088 -45.466 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -35.668 -11.698 -34.367 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -34.977 -12.347 -34.618 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -36.296 -11.703 -35.130 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -36.548 -16.388 -37.606 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -36.587 -15.693 -36.919 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -36.421 -17.220 -37.097 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -31.890 -16.348 -39.720 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -32.816 -16.117 -39.474 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -31.740 -17.223 -39.297 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -35.131 -10.279 -31.423 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -36.031 -10.013 -31.155 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -34.575 -10.052 -30.651 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -35.166 -13.104 -31.688 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -35.768 -13.446 -32.373 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -35.154 -12.137 -31.841 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -36.110 -14.351 -35.758 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -35.184 -14.122 -35.515 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -36.272 -13.841 -36.585 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -31.005 -16.945 -30.258 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -30.898 -17.796 -29.779 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -31.449 -16.361 -29.613 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -29.256 -13.554 -44.668 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -28.819 -14.137 -43.999 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -29.774 -14.162 -45.203 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -27.285 -15.508 -39.687 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -28.082 -15.946 -40.058 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -27.098 -16.003 -38.869 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -32.664 -16.588 -42.475 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -32.097 -17.350 -42.691 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -32.361 -16.312 -41.593 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.200 -17.145 -34.888 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -32.038 -16.887 -35.326 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -30.504 -16.819 -35.495 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -31.085 -18.706 -38.364 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -30.701 -19.301 -39.046 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -30.554 -18.888 -37.566 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -33.734 -18.484 -37.838 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -32.802 -18.747 -38.000 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -33.659 -17.628 -37.360 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -30.917 -10.805 -39.719 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -31.137 -11.469 -40.379 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -30.139 -10.334 -40.101 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -35.235 -8.499 -28.041 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -34.589 -9.009 -28.578 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -35.747 -9.191 -27.563 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -36.429 -13.087 -38.208 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -37.262 -13.280 -38.694 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -35.808 -12.788 -38.912 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -39.194 -10.779 -39.908 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -39.087 -11.705 -39.598 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -39.872 -10.837 -40.588 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -34.951 -10.737 -43.128 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -35.792 -10.859 -43.583 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -34.287 -10.907 -43.805 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -33.205 -11.909 -24.135 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -32.702 -11.357 -24.763 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -32.528 -12.230 -23.504 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -39.935 -10.051 -25.328 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -39.039 -9.731 -25.098 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -40.445 -9.941 -24.498 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -37.571 -8.130 -13.956 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -37.634 -8.335 -12.996 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -38.183 -7.386 -14.074 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -36.418 -10.484 -26.620 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -36.185 -10.889 -25.754 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -36.580 -11.253 -27.208 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -35.867 -11.277 -24.039 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -36.187 -11.859 -23.344 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -34.902 -11.481 -24.097 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -31.822 -11.035 -12.715 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -31.211 -10.989 -13.473 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -31.273 -11.384 -11.987 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -31.400 -13.242 -15.288 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -32.284 -13.083 -14.934 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -30.960 -12.365 -15.237 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -39.519 -12.087 -27.143 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -40.232 -12.660 -26.848 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -39.622 -11.277 -26.596 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -31.985 -12.235 -33.282 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -31.695 -11.482 -33.830 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -32.600 -12.736 -33.867 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -39.322 -7.082 -23.695 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -38.534 -7.602 -23.963 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -39.900 -7.738 -23.257 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -33.325 -9.915 -29.380 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -32.553 -9.674 -28.855 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -33.069 -10.769 -29.801 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -37.486 -8.942 -24.594 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -36.966 -9.489 -23.977 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -37.123 -9.170 -25.474 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -37.377 -14.180 -33.160 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -37.035 -14.031 -34.067 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -37.706 -15.084 -33.180 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -30.310 -14.755 -17.355 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -29.990 -15.464 -16.788 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -30.836 -14.189 -16.756 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -36.876 -10.523 -10.282 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -37.048 -11.390 -10.658 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -36.039 -10.638 -9.789 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -30.287 -13.490 -29.731 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -31.012 -12.939 -30.102 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -30.760 -14.180 -29.217 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -32.142 -15.151 -28.512 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -32.295 -15.341 -27.581 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -32.986 -14.739 -28.813 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -34.842 -8.169 -13.814 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -34.540 -8.708 -13.049 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -35.815 -8.273 -13.810 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -31.666 -9.955 -25.413 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -31.241 -9.545 -24.654 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -32.394 -9.330 -25.647 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -37.102 -12.547 -28.361 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -37.347 -12.633 -29.303 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -37.968 -12.480 -27.894 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -35.933 -8.027 -16.502 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -36.693 -8.304 -15.966 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -35.214 -7.932 -15.857 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -34.365 -11.176 -9.319 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -33.915 -10.774 -8.547 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -33.923 -12.050 -9.425 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -32.495 -12.184 -30.638 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -33.232 -12.816 -30.573 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -32.312 -12.129 -31.608 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -34.544 -13.951 -29.194 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -35.263 -13.570 -28.662 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -34.837 -13.815 -30.123 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -29.800 -16.672 -32.596 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -30.380 -16.972 -33.329 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -30.343 -16.824 -31.780 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -39.427 -4.304 -23.227 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -38.531 -4.110 -22.923 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -39.441 -5.282 -23.329 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -30.375 -12.026 -10.583 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -30.324 -12.625 -9.821 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -29.459 -12.037 -10.956 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -31.262 -12.711 -22.285 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -31.392 -13.540 -21.811 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -30.789 -12.151 -21.657 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -37.725 -8.099 -11.238 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -37.210 -7.462 -10.686 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -37.518 -8.976 -10.843 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -30.557 -19.380 -29.131 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -29.886 -19.776 -29.697 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -30.897 -20.114 -28.613 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -30.087 -17.126 -12.428 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -29.902 -16.333 -12.986 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -30.114 -17.854 -13.056 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -29.556 -14.991 -14.102 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -28.789 -14.426 -13.911 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -30.213 -14.380 -14.489 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -37.419 -4.160 -13.605 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -36.565 -4.638 -13.527 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -38.092 -4.835 -13.361 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -39.094 -6.104 -12.592 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -38.703 -6.784 -12.002 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -39.793 -5.688 -12.045 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -36.566 -8.198 -21.437 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -36.214 -7.779 -20.618 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -36.304 -7.598 -22.142 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -35.691 -7.022 -19.103 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -35.698 -7.560 -18.281 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -36.001 -6.145 -18.810 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -37.839 -9.871 -30.805 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -38.270 -9.543 -30.003 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -38.015 -10.841 -30.794 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -32.759 -9.723 -7.536 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -31.937 -9.673 -8.071 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -32.441 -9.856 -6.621 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -31.086 -10.195 -5.196 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -30.368 -9.783 -5.724 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -30.758 -11.080 -5.001 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -30.719 -9.584 -9.350 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -30.945 -8.980 -10.093 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -30.514 -10.435 -9.790 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -33.956 -9.679 -11.645 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -33.190 -10.106 -12.094 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -34.227 -10.329 -10.968 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -32.752 -13.346 -9.863 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -32.158 -12.801 -10.400 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -32.374 -14.249 -9.932 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -33.782 -7.930 -9.432 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -33.636 -8.607 -8.738 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -33.833 -8.447 -10.266 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -31.068 -15.447 -10.412 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -31.075 -16.191 -11.038 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -30.147 -15.119 -10.449 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -26.909 -4.473 -0.807 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -27.800 -4.210 -0.474 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -26.291 -4.073 -0.163 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -27.452 -12.454 -6.771 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -27.717 -11.833 -7.484 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -27.622 -13.340 -7.152 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -28.470 -14.651 -10.820 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -27.823 -15.173 -11.332 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -28.265 -13.717 -11.065 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -30.470 -8.751 -2.795 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -30.993 -7.931 -2.926 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -30.765 -9.335 -3.513 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -36.110 -6.452 -9.870 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -35.335 -6.973 -9.589 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -35.727 -5.615 -10.200 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -29.403 -8.966 -6.949 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -28.426 -8.908 -6.795 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -29.483 -9.479 -7.780 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -30.716 7.714 -42.689 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -30.794 7.276 -43.540 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -30.172 7.093 -42.147 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -34.982 1.812 -34.850 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -35.767 2.247 -34.444 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -35.332 0.972 -35.208 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -31.502 5.077 -37.923 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -30.832 4.651 -38.500 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -32.291 4.529 -38.034 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -35.805 13.953 -40.634 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -36.386 14.064 -41.393 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -35.235 13.184 -40.876 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -39.259 2.364 -38.291 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -38.710 2.909 -38.864 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -39.840 1.891 -38.896 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -33.122 -4.832 -39.086 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -33.990 -4.405 -39.289 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -32.575 -4.104 -38.733 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -34.105 -0.028 -38.139 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -34.564 -0.440 -38.903 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -34.567 -0.399 -37.353 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -31.274 9.350 -40.597 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -31.053 8.733 -41.334 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -31.297 8.772 -39.802 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -39.484 2.464 -35.570 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -40.458 2.537 -35.455 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -39.357 2.494 -36.543 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -34.987 -1.220 -40.559 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -35.488 -0.841 -41.289 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -34.088 -1.376 -40.940 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -37.404 -11.389 -36.353 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -38.225 -10.917 -36.573 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -37.253 -11.982 -37.118 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -34.430 11.706 -41.070 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -33.739 11.453 -41.717 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -34.268 11.124 -40.308 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -31.366 7.938 -38.263 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -31.612 8.295 -37.379 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -31.359 6.965 -38.135 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -35.670 -1.382 -32.315 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -36.507 -0.921 -32.465 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -35.763 -1.753 -31.400 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -42.223 2.652 -35.447 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -42.874 1.991 -35.195 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -42.699 3.487 -35.399 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -34.394 -9.366 -33.918 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -34.387 -9.464 -32.947 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -34.851 -10.176 -34.228 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -34.715 -3.086 -34.240 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -35.469 -3.660 -34.534 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -35.077 -2.588 -33.471 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -36.226 -2.285 -29.824 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.610 -3.079 -29.408 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -36.498 -1.548 -29.232 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -33.510 2.462 -37.090 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -33.668 1.660 -37.632 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -34.050 2.314 -36.286 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -37.722 0.313 -34.973 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -38.527 0.558 -35.457 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -37.576 1.066 -34.369 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -31.146 12.562 -29.209 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -30.412 11.940 -29.240 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -30.734 13.403 -28.925 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -36.727 4.229 -29.257 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -35.985 3.708 -28.929 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -36.330 5.094 -29.494 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -31.779 3.700 -35.434 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -32.294 3.172 -36.086 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -31.317 4.362 -35.981 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -38.349 6.863 -31.927 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -38.136 7.040 -32.857 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -38.528 5.898 -31.901 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -35.385 -6.849 -33.995 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -34.956 -7.728 -34.123 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -36.142 -7.041 -33.388 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -37.367 2.848 -33.844 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -38.162 2.904 -34.423 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -37.640 3.309 -33.018 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -37.581 -3.250 -38.089 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -37.971 -4.076 -37.731 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -37.767 -2.591 -37.415 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -29.977 3.658 -39.810 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -29.240 3.061 -39.556 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -30.522 3.121 -40.395 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -33.710 10.685 -38.500 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -33.013 10.031 -38.659 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -33.226 11.490 -38.221 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -38.599 8.842 -29.958 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -38.653 8.155 -30.654 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -38.982 9.638 -30.381 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -36.071 6.655 -30.400 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -37.008 6.814 -30.641 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -35.628 6.524 -31.266 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -37.074 -0.441 -27.935 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -37.503 -1.175 -27.448 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -37.319 0.351 -27.430 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -38.358 4.056 -31.533 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -39.244 3.772 -31.207 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -37.785 3.996 -30.741 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -39.622 -9.758 -35.760 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -39.180 -10.015 -34.913 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -40.548 -9.973 -35.617 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -37.475 -4.327 -28.349 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -37.476 -3.654 -27.631 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -38.338 -4.793 -28.234 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -36.619 -4.703 -35.138 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -37.388 -4.941 -35.693 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -36.290 -5.564 -34.803 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -38.757 -5.686 -30.554 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -39.526 -5.690 -29.959 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -38.158 -5.039 -30.158 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -37.240 -7.361 -32.111 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -37.841 -6.711 -31.680 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -37.463 -8.207 -31.686 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -31.919 9.219 -35.914 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -31.471 8.745 -35.176 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -31.660 10.156 -35.776 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -27.999 1.693 -39.403 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -27.424 2.343 -38.941 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -27.372 1.025 -39.748 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -29.424 0.130 -37.641 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -28.913 0.643 -38.304 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -29.329 0.656 -36.811 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -32.439 -2.262 -35.505 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -33.275 -2.582 -35.105 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -32.364 -1.350 -35.199 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -35.422 -0.835 -35.832 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -36.350 -0.617 -35.586 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -35.245 -1.676 -35.372 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -32.479 -1.523 -41.509 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -32.016 -1.245 -40.688 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -31.770 -1.782 -42.105 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -39.594 11.058 -31.338 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -39.359 11.840 -31.882 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -40.431 11.308 -30.919 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -34.503 9.849 -31.330 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -34.859 9.946 -32.234 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -34.103 10.718 -31.142 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -36.668 8.030 -34.300 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -36.116 7.409 -33.783 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -36.062 8.372 -34.990 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -34.686 9.231 -35.987 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -33.718 9.100 -35.888 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -34.780 9.636 -36.865 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -30.135 13.539 -36.573 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -30.192 14.412 -36.119 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -30.904 13.534 -37.178 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -38.625 -5.470 -36.896 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -39.582 -5.586 -36.903 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -38.272 -6.391 -36.920 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -30.678 -5.858 -37.790 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -30.754 -5.937 -38.748 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -30.803 -4.902 -37.620 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -35.531 -3.827 -39.754 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -36.323 -3.709 -39.179 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -35.382 -2.939 -40.134 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -35.021 -9.379 -40.728 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -34.943 -9.672 -41.661 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -34.847 -8.408 -40.764 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -33.548 -8.012 -25.904 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -34.193 -8.183 -26.617 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -33.895 -7.212 -25.458 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -36.582 4.567 -23.654 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -37.288 3.894 -23.728 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -35.787 4.053 -23.481 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -37.095 3.482 -20.973 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -36.997 4.395 -21.277 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -37.054 3.550 -19.997 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -37.612 -1.540 -23.908 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -36.662 -1.791 -23.853 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.914 -1.568 -22.973 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -37.182 4.468 -18.437 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -38.084 4.730 -18.745 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -36.598 5.189 -18.767 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -38.705 -9.843 -21.036 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -37.939 -9.253 -21.235 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -38.450 -10.292 -20.226 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -38.056 -2.497 -26.434 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -38.963 -2.864 -26.333 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -37.845 -2.146 -25.541 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -32.388 -3.367 -13.364 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -32.338 -3.561 -14.331 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -32.756 -2.479 -13.324 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -40.162 0.814 -22.221 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -40.458 1.093 -21.347 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -40.272 -0.168 -22.210 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -39.519 5.521 -19.203 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -40.199 5.654 -19.868 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -39.544 6.344 -18.664 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -39.386 7.795 -17.730 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -39.351 8.456 -18.450 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -39.104 8.292 -16.935 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -43.276 11.116 -26.779 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -42.656 11.337 -27.515 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -44.035 10.729 -27.220 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -36.573 -4.737 -17.499 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -37.259 -5.057 -16.903 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -35.793 -4.594 -16.913 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -35.569 -6.099 -29.237 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -36.298 -5.595 -28.819 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -35.558 -6.955 -28.751 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -40.717 -1.864 -22.371 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -41.356 -1.845 -23.109 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -40.251 -2.714 -22.484 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -38.679 -2.891 -11.457 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -37.921 -2.468 -11.007 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -38.307 -3.198 -12.305 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -40.948 0.725 -24.855 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -40.097 0.818 -25.324 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -40.726 0.908 -23.921 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -36.167 -2.423 -18.985 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -35.462 -2.047 -18.426 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -36.374 -3.280 -18.561 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -40.283 -7.446 -26.319 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -40.353 -8.413 -26.227 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -40.045 -7.139 -25.424 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -42.212 -1.668 -24.741 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -41.801 -0.778 -24.875 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -43.143 -1.531 -24.945 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -30.944 12.769 -15.464 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -31.465 13.382 -16.015 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -30.079 12.710 -15.915 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -37.740 -1.888 -21.189 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -38.528 -1.718 -20.665 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -37.037 -2.047 -20.518 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -31.646 -1.523 -17.466 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -31.818 -2.300 -16.885 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -32.525 -1.138 -17.604 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -38.843 7.642 -27.503 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -38.837 8.122 -28.365 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -39.345 8.221 -26.913 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -37.803 5.636 -16.061 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -37.458 5.039 -16.762 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -38.581 6.051 -16.467 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -36.927 7.393 -14.188 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -37.202 6.754 -14.884 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -36.783 6.833 -13.403 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -38.001 2.234 -23.180 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -37.620 2.587 -22.341 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -38.776 1.711 -22.884 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -38.172 0.693 -25.448 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -38.031 -0.125 -24.928 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -37.998 1.414 -24.807 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -37.421 10.654 -17.845 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -38.025 10.347 -18.557 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -37.709 10.149 -17.054 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -39.103 11.606 -27.388 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -39.034 11.004 -26.617 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -39.398 12.452 -26.999 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -34.986 8.954 -15.411 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -35.571 8.423 -14.835 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -34.097 8.550 -15.287 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -36.264 7.382 -26.720 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -37.216 7.340 -26.957 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -36.260 7.319 -25.738 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -36.434 7.261 -23.989 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -36.465 6.286 -23.858 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -36.987 7.616 -23.269 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -35.005 -5.425 -13.499 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -34.665 -5.059 -14.350 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -34.839 -6.390 -13.571 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -40.471 -3.589 -25.737 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -40.153 -3.911 -24.868 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -41.177 -2.948 -25.509 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.560 -1.187 -17.030 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -34.790 -1.573 -16.162 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -35.043 -0.355 -17.054 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -41.537 11.703 -28.783 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -41.536 12.338 -29.532 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -40.602 11.662 -28.499 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -37.231 3.711 -10.789 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -36.281 3.716 -10.550 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -37.263 4.180 -11.644 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.841 4.630 -13.402 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -37.194 4.698 -14.305 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -36.244 3.858 -13.433 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -39.296 5.043 -28.370 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -39.180 5.930 -27.976 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -38.387 4.712 -28.486 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -40.654 3.517 -30.131 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -40.280 4.145 -29.468 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -41.269 2.981 -29.625 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -34.814 -0.375 -12.653 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -35.068 0.534 -12.910 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -35.067 -0.926 -13.427 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -36.324 1.110 -7.646 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -35.959 2.005 -7.553 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -37.139 1.238 -8.184 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -38.357 1.681 -9.358 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -37.990 2.453 -9.849 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -39.140 1.438 -9.855 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -35.482 -2.232 -14.561 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -34.986 -2.985 -14.975 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -36.303 -2.647 -14.230 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -40.663 -4.646 -10.808 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -39.914 -4.027 -10.989 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -41.343 -4.084 -10.423 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -36.459 10.993 -28.648 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -36.582 11.666 -27.949 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -37.366 10.766 -28.917 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -34.516 3.343 -10.360 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -34.534 3.115 -9.406 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -33.599 3.675 -10.504 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -30.945 2.497 -12.670 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -31.414 1.680 -12.377 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -30.028 2.217 -12.778 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -38.363 9.260 -15.633 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -38.846 9.808 -15.004 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -37.812 8.672 -15.066 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -34.924 13.698 -15.224 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -34.154 14.141 -15.649 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -34.944 12.809 -15.638 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -39.034 9.658 -19.885 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -39.538 10.384 -20.311 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -38.772 9.082 -20.635 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -39.147 10.442 -24.887 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -38.687 10.831 -24.127 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -40.101 10.634 -24.716 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -38.267 8.549 -22.336 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -38.912 8.488 -23.055 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -37.881 9.450 -22.439 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -40.729 -9.345 -22.770 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -41.535 -9.434 -22.250 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -40.007 -9.600 -22.143 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -39.967 -5.290 -27.924 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -40.321 -4.635 -27.285 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -40.109 -6.157 -27.476 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -34.807 -4.327 -10.994 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -35.392 -3.536 -10.987 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -34.866 -4.663 -11.918 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -32.049 1.275 -5.725 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -31.410 1.147 -6.460 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -32.635 0.480 -5.773 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -30.163 1.370 -7.728 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -29.259 1.122 -7.504 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -30.073 2.262 -8.135 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -31.844 3.986 -10.552 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -31.464 3.555 -11.347 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -31.108 3.996 -9.910 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -28.628 10.529 -6.472 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -29.490 10.865 -6.217 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -28.486 9.756 -5.878 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -32.389 0.440 -11.649 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -33.251 0.077 -11.930 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -32.371 0.293 -10.680 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -41.720 -6.401 -8.873 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -41.018 -6.980 -8.577 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -41.337 -5.929 -9.631 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -36.140 -1.934 -10.824 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -35.701 -1.316 -11.447 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -35.808 -1.654 -9.940 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -34.840 -0.873 -8.698 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -33.981 -0.433 -8.854 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -35.414 -0.158 -8.331 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -29.806 3.965 -8.562 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -28.947 4.349 -8.310 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -30.415 4.251 -7.853 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -34.154 2.927 -7.650 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -33.469 3.560 -7.364 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -33.942 2.118 -7.168 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -28.591 11.771 -12.537 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -29.006 10.998 -12.146 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -29.334 12.387 -12.694 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -31.703 3.907 -6.433 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -31.882 3.022 -6.055 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -30.915 4.221 -5.939 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -32.420 -3.816 -9.921 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -33.362 -3.993 -10.174 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -32.065 -3.320 -10.676 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -28.356 8.301 -4.874 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -27.586 8.093 -4.325 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -28.751 7.442 -5.062 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -34.973 2.471 -12.955 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -34.060 2.601 -13.241 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -34.947 2.650 -11.986 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -29.186 4.279 -5.436 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -28.406 4.315 -6.027 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -28.878 3.769 -4.661 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -30.986 1.477 -3.216 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -31.401 1.439 -4.105 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -31.615 1.030 -2.643 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -33.566 -0.908 -6.146 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -32.958 -1.567 -6.537 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -34.370 -0.980 -6.687 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -32.214 -0.016 -8.938 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -32.013 -0.864 -8.488 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -31.510 0.591 -8.626 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -31.818 -2.415 -7.651 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -31.232 -3.026 -7.143 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -32.098 -2.946 -8.427 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -31.854 -6.559 -3.615 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -31.650 -6.716 -4.562 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -32.481 -5.832 -3.626 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -31.740 -6.265 -8.780 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -32.471 -6.846 -9.105 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -32.082 -5.356 -8.910 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -35.632 17.721 -37.298 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -35.284 16.959 -37.820 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -36.388 18.048 -37.831 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -34.621 15.809 -38.962 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -35.142 15.189 -39.512 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -33.714 15.728 -39.308 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -32.009 13.863 -42.235 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -32.183 14.041 -41.300 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -32.094 12.893 -42.316 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -33.900 13.948 -35.951 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -33.337 13.599 -36.663 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -33.541 13.549 -35.139 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -31.068 23.001 -33.944 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -30.275 22.727 -34.449 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -31.627 22.206 -33.941 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -37.982 10.390 -33.627 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -37.701 9.489 -33.893 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -38.551 10.243 -32.850 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -38.127 18.407 -38.276 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -38.361 18.420 -37.333 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -38.888 18.012 -38.705 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -36.629 13.905 -36.281 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -35.675 14.051 -36.102 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -36.635 13.251 -37.011 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -36.087 12.218 -38.378 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -36.111 12.787 -39.168 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -35.264 11.710 -38.473 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -38.769 15.230 -35.252 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -38.499 16.165 -35.285 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -38.026 14.750 -35.692 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -31.424 20.216 -34.617 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -30.556 20.465 -34.986 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -31.869 19.739 -35.345 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -35.314 22.011 -33.646 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -34.581 21.504 -33.219 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -35.655 22.583 -32.928 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -38.973 17.950 -32.796 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -38.565 18.020 -33.675 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -38.969 16.991 -32.605 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -31.073 25.214 -28.490 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -31.890 24.891 -28.058 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -31.388 25.821 -29.168 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -33.315 18.985 -36.493 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -33.636 19.907 -36.387 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -34.125 18.479 -36.729 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -34.264 21.556 -36.123 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -34.589 21.765 -35.218 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -33.936 22.397 -36.456 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -38.907 13.001 -33.289 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -38.494 12.204 -33.681 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -38.904 13.654 -34.016 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -39.205 15.381 -31.943 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -38.763 15.544 -31.080 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -38.988 14.449 -32.152 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -31.450 17.544 -37.918 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -30.967 18.334 -38.257 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -32.171 17.926 -37.370 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -40.997 23.255 -30.850 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -40.854 22.517 -30.224 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -41.492 23.900 -30.344 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -33.194 20.747 -32.616 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -33.033 20.325 -31.759 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -32.514 20.360 -33.211 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -37.725 17.973 -35.426 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -37.579 18.946 -35.332 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -36.910 17.655 -35.865 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -36.065 23.630 -31.484 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -36.698 24.190 -31.979 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -36.590 23.304 -30.721 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -43.426 16.284 -32.559 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -42.666 15.929 -33.074 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -43.786 16.976 -33.117 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -41.190 15.371 -33.820 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -40.569 15.489 -33.072 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -40.607 15.259 -34.593 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -36.866 20.532 -35.478 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -36.563 21.050 -34.707 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -36.193 20.704 -36.154 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -40.370 17.918 -30.397 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -39.802 18.498 -29.852 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -40.007 18.015 -31.302 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -41.483 13.343 -30.991 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -41.682 14.234 -30.627 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -41.557 13.459 -31.948 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -35.264 10.892 -33.822 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -36.243 10.945 -33.779 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -35.089 10.378 -34.638 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.376 13.774 -26.189 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -40.391 14.589 -26.742 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -41.272 13.418 -26.270 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -35.216 22.421 -26.220 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -34.914 22.162 -25.323 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -35.213 21.580 -26.729 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -30.825 16.017 -43.375 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -31.204 15.199 -42.973 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -31.572 16.430 -43.815 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -29.814 19.615 -38.548 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -28.932 19.272 -38.781 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -29.650 20.540 -38.309 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -31.938 15.437 -39.579 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -31.845 16.235 -39.006 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -31.046 15.329 -39.977 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -33.238 12.671 -33.431 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -33.226 12.727 -32.458 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -34.014 12.095 -33.625 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -32.332 13.133 -38.189 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -31.701 12.659 -38.789 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -32.446 14.012 -38.615 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -30.600 11.936 -39.823 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -30.666 10.992 -40.068 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -29.675 12.175 -40.038 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -42.168 15.905 -30.162 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -41.565 16.678 -30.272 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -42.839 16.027 -30.871 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -33.504 12.337 -30.571 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -34.160 12.507 -29.886 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -32.639 12.442 -30.110 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -39.808 21.036 -26.016 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -40.387 20.502 -25.448 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -39.064 20.434 -26.230 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -33.663 18.966 -18.003 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -32.943 18.319 -18.177 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -34.392 18.676 -18.579 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -34.575 22.185 -23.566 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -34.758 21.702 -22.721 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -35.025 23.030 -23.452 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -35.210 15.823 -19.371 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -35.418 14.924 -19.044 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -34.227 15.834 -19.409 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -42.147 14.712 -22.064 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -42.031 15.681 -22.070 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -41.323 14.373 -22.474 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -37.943 15.517 -19.855 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -37.001 15.739 -19.759 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -38.100 14.837 -19.168 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -38.076 18.265 -24.038 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -37.761 18.774 -23.252 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -38.146 17.343 -23.709 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -36.267 21.049 -18.682 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -36.868 21.087 -17.933 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -36.122 20.093 -18.823 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -31.789 22.387 -23.351 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -32.745 22.193 -23.363 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -31.678 23.078 -24.031 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -28.679 19.773 -13.852 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -28.219 19.192 -14.490 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -29.587 19.401 -13.801 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -37.890 23.056 -26.827 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -38.505 22.480 -26.340 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -37.008 22.809 -26.492 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -30.516 19.476 -19.776 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -30.947 20.304 -19.465 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -30.687 18.837 -19.057 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -34.791 17.679 -14.326 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -34.469 18.527 -14.702 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -35.756 17.706 -14.467 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -40.266 21.596 -28.760 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -40.281 21.587 -27.783 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -39.794 20.770 -28.998 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -32.547 16.359 -13.626 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -33.387 16.827 -13.861 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -32.851 15.523 -13.218 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -40.444 11.680 -21.473 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -41.342 11.477 -21.800 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -40.117 12.368 -22.093 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -35.068 11.356 -16.665 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -34.883 10.549 -16.129 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -35.933 11.167 -17.085 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -33.731 14.007 -12.739 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -34.204 13.842 -13.586 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -34.418 13.931 -12.068 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -41.331 17.400 -22.316 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -41.681 18.129 -21.793 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -41.230 17.778 -23.219 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -40.366 15.809 -28.039 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -41.160 15.804 -28.614 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -39.684 16.234 -28.587 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -31.358 17.447 -18.176 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -30.700 17.320 -17.450 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -31.322 16.604 -18.683 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -40.686 18.469 -24.796 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -40.741 17.937 -25.601 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -39.730 18.456 -24.564 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -38.545 19.518 -29.148 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -37.749 19.695 -29.665 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -38.216 19.403 -28.230 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -36.157 18.340 -19.232 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -35.831 17.413 -19.311 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -36.848 18.292 -18.528 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -39.918 13.731 -23.348 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -39.958 13.650 -24.324 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -39.375 14.537 -23.197 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -38.009 18.415 -17.255 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -37.761 18.198 -16.331 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -38.817 17.915 -17.405 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -38.632 24.502 -31.965 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -38.474 24.208 -31.051 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -39.516 24.164 -32.168 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -32.098 21.216 -18.397 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -32.159 21.688 -17.547 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -32.790 20.530 -18.340 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -33.358 23.999 -27.565 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -34.104 23.560 -27.096 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -33.522 23.796 -28.511 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -30.747 22.804 -29.732 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -30.643 23.635 -29.217 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -31.509 22.981 -30.311 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -35.133 21.171 -21.158 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -35.465 21.338 -20.247 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -34.381 20.549 -21.030 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -33.467 19.822 -15.447 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -33.613 19.544 -16.382 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -33.139 20.744 -15.521 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -31.720 24.377 -25.319 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -32.043 25.248 -25.064 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -32.240 24.154 -26.121 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -37.126 19.360 -21.727 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -36.984 18.900 -20.879 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -36.544 20.143 -21.669 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -34.863 13.239 -18.663 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -33.989 13.680 -18.727 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -34.773 12.637 -17.895 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -37.543 17.414 -14.747 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -38.115 17.279 -13.985 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -37.423 16.505 -15.123 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -38.855 16.116 -22.353 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -39.677 16.611 -22.173 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -38.499 15.909 -21.458 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -32.739 14.771 -16.431 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -32.459 15.594 -16.004 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -32.692 14.971 -17.397 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -43.038 12.157 -22.359 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -42.795 13.106 -22.239 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -43.984 12.133 -22.188 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -33.549 23.453 -30.334 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -33.017 23.987 -30.967 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -34.458 23.473 -30.715 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -38.018 23.156 -29.553 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -38.842 22.634 -29.572 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -37.861 23.310 -28.594 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -37.691 19.422 -26.560 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -37.597 18.964 -25.697 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -36.772 19.639 -26.822 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -35.255 20.142 -27.754 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -34.715 20.342 -28.552 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -34.842 19.328 -27.388 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -40.616 12.666 -18.956 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -41.530 12.958 -18.901 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -40.522 12.340 -19.878 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -38.208 13.426 -17.996 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -39.130 13.206 -18.277 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -37.762 12.561 -17.958 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -37.340 14.967 -15.812 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -37.704 14.443 -16.555 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -36.497 14.518 -15.591 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -28.805 24.474 -20.396 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -29.466 23.773 -20.354 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -28.338 24.313 -21.233 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -32.178 22.236 -15.802 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -31.216 22.096 -15.620 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -32.333 23.150 -15.547 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -31.210 18.704 -14.212 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -31.931 19.225 -14.626 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -31.671 17.933 -13.820 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -25.977 12.605 -12.246 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -25.293 11.915 -12.394 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -26.834 12.125 -12.342 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -28.584 14.945 -18.078 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -29.335 15.063 -18.699 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -27.938 15.630 -18.355 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -28.677 12.418 -17.039 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -28.550 13.343 -17.355 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -29.252 12.018 -17.705 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -41.771 10.951 -24.489 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -42.292 11.402 -23.797 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -42.363 10.948 -25.274 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -31.022 13.208 -12.838 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -31.968 13.380 -12.658 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -31.002 12.963 -13.796 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -26.785 9.282 -8.117 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -25.942 9.676 -7.850 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -27.461 9.835 -7.672 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -29.836 15.646 -13.284 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -30.113 14.749 -12.995 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -30.680 16.105 -13.463 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -22.190 -14.995 -37.946 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -21.747 -15.349 -38.748 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -22.535 -15.793 -37.487 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -30.140 -23.137 -40.361 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -30.294 -23.630 -41.173 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -30.077 -23.812 -39.680 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -20.935 -15.181 -40.378 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -21.208 -15.454 -41.261 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -20.904 -14.199 -40.428 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -28.052 -15.197 -42.906 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -28.534 -15.715 -42.228 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -27.261 -14.873 -42.441 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -20.527 -8.241 -42.276 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -19.555 -8.374 -42.239 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -20.633 -7.272 -42.226 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -29.478 -16.588 -40.966 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -30.318 -16.315 -40.544 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -29.702 -17.433 -41.404 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -12.170 -9.291 -33.780 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -11.539 -8.936 -34.440 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -12.039 -8.713 -32.989 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -17.664 -11.885 -35.603 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -17.362 -11.223 -36.264 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -17.602 -12.743 -36.078 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -15.820 -13.176 -31.816 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -15.787 -12.386 -32.405 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -15.736 -13.919 -32.417 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -26.014 -13.810 -41.329 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -26.486 -14.381 -40.675 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -25.191 -13.571 -40.883 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -26.507 -16.626 -37.287 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -25.874 -17.343 -37.427 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -25.991 -15.941 -36.801 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -18.886 -11.889 -38.617 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.515 -12.681 -38.175 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -18.216 -11.193 -38.459 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -8.903 -12.947 -31.207 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -9.535 -12.367 -31.688 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -9.021 -13.812 -31.612 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -19.772 -6.033 -38.754 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -19.089 -5.663 -39.360 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -20.431 -6.417 -39.352 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -23.671 -10.157 -39.174 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -23.344 -9.796 -40.037 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -23.812 -11.102 -39.355 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -17.824 -7.802 -42.105 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -17.950 -6.969 -42.602 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -16.983 -7.668 -41.625 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -31.106 -18.812 -41.690 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -30.565 -19.470 -41.205 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -32.022 -18.982 -41.379 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -28.220 -20.790 -37.744 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -27.687 -21.391 -37.221 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -28.683 -20.236 -37.078 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -20.400 -14.849 -35.849 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -21.033 -14.877 -36.595 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -20.772 -15.459 -35.202 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -15.151 -26.100 -42.458 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -15.160 -25.169 -42.678 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -15.595 -26.150 -41.611 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -25.000 -12.024 -37.174 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -24.649 -12.390 -38.014 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -25.541 -11.249 -37.457 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -21.140 -13.016 -31.926 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -20.498 -12.625 -31.290 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -21.002 -13.965 -31.840 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -18.137 -14.078 -37.127 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -18.860 -14.449 -36.575 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -18.029 -14.737 -37.850 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -24.480 -7.522 -38.610 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -24.348 -8.463 -38.837 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -24.035 -7.036 -39.333 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -23.429 -12.924 -39.216 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -22.620 -12.684 -39.721 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -23.162 -13.729 -38.716 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -20.974 -12.383 -40.316 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -20.207 -12.195 -39.720 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -20.987 -11.629 -40.928 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -14.807 -8.586 -34.101 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -15.006 -8.748 -33.170 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -13.863 -8.848 -34.192 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -12.703 -9.502 -39.759 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -12.730 -9.246 -40.688 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -12.531 -10.449 -39.777 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -26.897 -11.306 -42.093 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -26.629 -12.234 -41.916 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -27.303 -11.340 -42.981 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -19.045 -8.997 -27.332 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -18.970 -9.554 -26.522 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -18.111 -8.777 -27.553 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -23.022 -11.801 -33.480 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -22.358 -12.277 -32.928 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -23.073 -10.923 -33.084 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -16.511 -12.029 -29.444 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -16.319 -12.537 -30.266 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -15.751 -11.418 -29.362 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -25.458 -11.693 -34.535 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -25.377 -11.741 -35.509 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -24.538 -11.846 -34.213 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -23.149 -16.643 -36.004 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -23.242 -17.221 -35.240 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -23.814 -15.936 -35.855 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -19.964 -9.610 -29.898 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -19.518 -9.389 -29.054 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -19.655 -10.517 -30.098 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -18.531 -15.837 -39.150 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -19.373 -15.627 -39.601 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -18.183 -16.590 -39.635 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -19.324 -12.274 -29.982 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -18.376 -12.275 -29.726 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -19.799 -12.505 -29.147 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -25.115 -14.701 -35.950 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -25.339 -14.611 -34.987 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -25.095 -13.783 -36.277 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -28.286 -8.580 -43.415 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -28.321 -9.473 -43.827 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -28.755 -8.014 -44.036 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -28.762 -9.648 -40.879 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -28.698 -9.076 -41.666 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -28.074 -10.328 -41.027 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -14.868 -8.398 -38.384 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -14.030 -8.799 -38.700 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -14.595 -7.530 -38.017 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -10.894 -5.537 -36.278 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -11.692 -5.069 -35.989 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -10.161 -5.108 -35.770 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -15.806 -11.229 -33.701 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -16.529 -11.504 -34.302 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -15.464 -10.414 -34.098 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -29.119 -16.489 -36.532 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -29.544 -15.832 -37.132 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -28.177 -16.502 -36.817 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -29.574 -19.157 -36.057 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -29.223 -18.249 -36.173 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -30.225 -19.066 -35.342 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -29.773 -20.474 -39.963 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -29.058 -20.538 -39.291 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -29.971 -21.411 -40.189 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -17.087 -10.002 -37.542 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -17.676 -9.233 -37.379 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -16.254 -9.598 -37.868 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -9.489 -8.279 -28.994 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -9.975 -7.434 -28.928 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -10.183 -8.935 -29.191 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -20.829 -10.879 -19.916 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -21.722 -11.239 -20.104 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -20.683 -11.081 -18.966 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -16.226 -12.722 -18.864 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -17.040 -13.177 -18.545 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -16.395 -11.773 -18.666 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -26.104 -11.881 -19.481 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -25.838 -11.502 -18.620 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -26.860 -12.473 -19.256 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -13.523 -12.300 -19.500 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -14.464 -12.548 -19.406 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -13.551 -11.352 -19.773 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -16.884 -24.569 -24.701 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -17.163 -23.809 -25.212 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -16.941 -25.304 -25.313 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -18.540 -10.644 -25.188 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -18.561 -11.025 -24.288 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -17.775 -11.082 -25.617 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -27.314 -13.416 -27.001 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -27.980 -12.708 -26.936 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -26.924 -13.452 -26.120 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -18.719 -11.637 -22.499 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -18.962 -11.195 -21.674 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -17.920 -12.164 -22.262 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -12.958 -13.189 -14.070 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -12.943 -12.939 -15.012 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -12.686 -14.130 -14.067 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -21.292 -12.601 -22.981 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -20.359 -12.371 -22.796 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -21.737 -12.503 -22.124 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -12.273 -17.354 -17.206 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -12.794 -16.523 -17.236 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -12.806 -17.985 -17.694 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -13.155 -11.774 -23.945 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -13.961 -11.382 -23.585 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -12.532 -11.785 -23.180 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -15.560 -12.887 -15.293 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -15.063 -13.235 -14.531 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -14.866 -12.655 -15.940 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -24.392 -10.560 -23.010 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -24.395 -9.724 -23.489 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -25.322 -10.679 -22.729 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -21.010 -14.817 -17.369 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -21.254 -14.045 -16.800 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -21.813 -15.007 -17.864 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -25.531 -11.003 -16.888 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -25.401 -10.087 -16.560 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -24.760 -11.484 -16.555 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -11.666 -9.859 -29.978 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -11.732 -9.015 -30.493 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -11.403 -10.521 -30.647 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -30.034 -10.913 -14.921 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -29.243 -11.360 -15.310 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -29.791 -9.980 -14.903 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -16.345 -9.034 -27.758 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -16.419 -9.801 -27.163 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -15.629 -9.281 -28.369 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -28.207 -17.826 -10.418 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -28.841 -17.470 -11.073 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -28.682 -18.591 -10.021 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -18.074 -17.812 -10.878 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -19.013 -18.123 -10.854 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -18.062 -17.149 -11.611 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -29.705 -19.865 -9.408 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -30.594 -19.732 -9.061 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -29.536 -20.804 -9.279 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -18.687 -13.437 -17.896 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -19.294 -12.660 -17.911 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -19.293 -14.206 -17.827 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -21.912 -11.833 -25.510 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -21.603 -12.204 -24.649 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -22.785 -11.481 -25.310 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -13.857 -15.118 -17.367 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -14.564 -14.876 -17.979 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -13.439 -14.266 -17.139 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -26.950 -10.865 -21.892 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -27.611 -10.196 -21.615 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -26.626 -11.247 -21.041 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -20.721 -12.906 -27.736 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -21.132 -12.362 -27.027 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -20.541 -13.747 -27.308 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -27.791 -12.086 -15.914 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -27.484 -12.423 -15.030 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -26.983 -11.690 -16.311 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -18.009 -15.718 -12.617 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -17.185 -15.190 -12.631 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -18.649 -15.180 -13.113 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -9.714 -14.137 -16.143 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -9.854 -13.318 -15.651 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -8.828 -14.024 -16.551 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -16.607 -13.053 -21.569 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -16.422 -12.948 -20.614 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -16.340 -13.956 -21.764 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -27.301 -16.074 -31.684 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -27.475 -15.659 -30.816 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -28.157 -16.483 -31.932 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -23.294 -11.786 -20.795 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -23.572 -11.355 -21.635 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -24.131 -11.971 -20.336 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -16.388 -11.586 -26.680 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -15.446 -11.846 -26.593 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -16.625 -11.852 -27.594 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -13.697 -12.120 -26.658 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -13.430 -11.920 -25.736 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -13.155 -12.903 -26.898 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -27.655 -14.302 -29.569 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -27.433 -14.137 -28.623 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -28.603 -14.058 -29.636 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -28.431 -9.486 -32.911 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -27.848 -9.325 -32.138 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -29.296 -9.657 -32.521 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -25.684 -14.703 -33.346 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -26.227 -15.380 -32.878 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -25.463 -14.061 -32.649 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.019 -12.115 -24.140 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -27.540 -11.657 -23.416 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -28.516 -12.807 -23.691 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -14.216 -10.503 -28.854 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -13.932 -11.029 -28.077 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -13.378 -10.231 -29.278 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -25.964 -10.952 -31.999 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -25.801 -11.824 -31.571 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -25.690 -11.088 -32.929 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -21.627 -8.149 -27.431 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -20.658 -8.308 -27.439 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -21.883 -8.303 -26.507 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -26.080 -14.966 -12.181 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -25.673 -14.535 -11.409 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -26.355 -14.214 -12.755 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -25.442 -13.359 -30.888 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -24.700 -13.790 -30.452 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -26.233 -13.704 -30.410 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -23.185 -18.758 -11.887 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -24.032 -18.323 -11.636 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -23.370 -19.147 -12.743 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -19.911 -14.340 -14.411 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -20.184 -15.190 -14.786 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -20.632 -13.717 -14.686 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -16.244 -19.464 -9.713 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -16.997 -19.082 -10.212 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -16.478 -19.315 -8.782 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -15.469 -14.577 -12.276 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -15.374 -15.135 -11.475 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -14.973 -15.068 -12.970 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -25.719 -13.527 -9.689 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -26.098 -12.791 -10.200 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -26.431 -13.779 -9.070 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -20.762 -18.274 -10.669 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -21.087 -17.541 -10.138 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -21.552 -18.566 -11.179 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -28.911 -11.090 -29.241 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -28.928 -11.055 -28.261 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -29.370 -11.927 -29.454 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -12.085 -14.315 -27.120 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -12.376 -14.987 -27.745 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -11.098 -14.358 -27.161 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -11.812 -14.226 -24.364 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -11.986 -14.358 -25.316 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -12.327 -13.433 -24.137 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -13.209 -12.435 -16.766 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -13.166 -12.352 -17.745 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -12.736 -11.634 -16.436 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -28.297 -13.165 -18.452 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -28.175 -12.793 -17.558 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -29.006 -13.829 -18.335 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -14.122 -15.905 -14.303 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -13.149 -16.040 -14.288 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -14.352 -15.964 -15.240 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -13.803 -19.665 -10.881 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -13.971 -19.860 -11.809 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -14.700 -19.664 -10.468 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -29.185 -11.315 -26.485 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -28.756 -11.470 -25.612 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -30.055 -10.935 -26.259 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -27.558 -8.994 -30.315 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -27.972 -8.323 -29.766 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -27.936 -9.844 -29.982 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -25.511 -11.643 -5.086 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -26.233 -11.904 -5.711 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -24.856 -12.362 -5.171 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -16.368 -18.112 -1.122 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -16.278 -19.061 -1.358 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -17.348 -17.963 -1.101 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -17.056 -20.206 -4.050 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -16.881 -20.436 -3.108 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -16.363 -20.669 -4.535 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -21.520 -19.755 -2.565 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -22.165 -19.867 -3.290 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -20.869 -19.139 -2.920 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -20.832 -12.969 -2.183 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -21.659 -13.445 -2.437 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -20.911 -12.110 -2.621 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -15.847 -20.718 -1.665 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -14.945 -20.666 -2.057 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -15.685 -20.960 -0.723 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -27.999 -10.887 -8.932 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -27.575 -9.995 -8.937 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -27.873 -11.220 -9.847 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -14.841 -14.510 2.339 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -15.692 -14.987 2.388 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -14.304 -15.045 1.730 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -18.118 -16.284 -8.603 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -18.964 -15.785 -8.678 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -18.063 -16.782 -9.444 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -12.858 -15.719 0.786 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -12.192 -16.089 0.154 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -12.453 -15.845 1.655 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -15.741 -18.245 1.520 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -16.184 -17.473 1.914 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -15.956 -18.180 0.567 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -25.100 -17.770 -5.854 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -25.688 -17.756 -6.646 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -25.654 -17.424 -5.144 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -20.837 -13.296 -5.227 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -21.762 -13.273 -4.934 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -20.859 -12.866 -6.103 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -23.311 -17.048 -2.871 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -23.319 -17.943 -3.236 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -22.621 -17.076 -2.181 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -17.887 -9.022 -2.829 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -17.721 -8.971 -3.792 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -17.079 -9.454 -2.470 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -23.622 -13.534 -5.661 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -23.235 -13.002 -6.387 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -23.462 -14.466 -5.936 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -27.150 -9.677 -4.193 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -27.011 -9.185 -5.037 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -26.687 -10.524 -4.339 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -21.724 -11.429 2.567 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -21.288 -11.630 1.709 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -22.247 -12.231 2.758 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -15.353 -16.462 -10.259 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -16.090 -17.083 -10.380 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -14.561 -17.005 -10.385 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -23.118 -19.405 -4.817 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -23.897 -18.976 -5.236 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -22.736 -19.963 -5.533 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -22.967 -16.078 -6.345 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -23.687 -16.723 -6.168 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -22.155 -16.548 -6.070 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -16.249 -17.541 -4.589 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -16.485 -17.744 -5.514 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -16.583 -18.306 -4.086 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -20.324 -15.588 -3.822 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -20.506 -16.409 -4.332 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.600 -14.866 -4.426 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -20.969 -17.752 -5.268 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -21.698 -18.396 -5.151 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -20.228 -18.293 -5.621 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -21.430 -20.349 -6.769 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -20.496 -20.138 -6.555 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -21.395 -20.685 -7.670 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -13.450 -20.457 -2.944 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -12.806 -21.151 -3.106 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -12.925 -19.631 -2.974 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -26.687 -17.365 -8.099 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -27.203 -17.606 -8.897 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -25.877 -16.930 -8.460 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -19.009 -17.900 -0.878 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -19.790 -17.312 -0.918 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -19.357 -18.733 -0.487 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -20.240 -20.232 -0.180 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -20.821 -20.151 -0.968 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -20.149 -21.177 -0.049 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -13.836 -13.470 -0.744 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -13.410 -12.631 -0.471 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -13.422 -14.144 -0.174 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -22.050 -14.156 2.962 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -21.212 -13.931 3.418 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -22.075 -15.115 2.973 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -16.752 -18.143 -7.213 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -15.802 -17.986 -7.434 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -17.226 -17.385 -7.637 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -23.021 -14.287 -3.023 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -23.533 -14.012 -3.804 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -23.223 -15.245 -2.930 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -13.837 -11.952 2.010 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -14.645 -11.445 1.787 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -14.174 -12.836 2.272 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -14.102 -17.886 -7.912 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -13.548 -17.261 -8.420 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -13.641 -18.738 -8.003 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -25.720 -17.685 -11.717 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -26.561 -17.819 -11.239 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -25.755 -16.749 -12.004 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -17.592 -8.434 0.788 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -17.884 -7.631 1.269 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -18.414 -8.927 0.626 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -17.905 -11.306 2.941 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -18.480 -10.511 2.974 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -17.126 -11.016 2.429 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -19.780 -9.676 -0.815 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -20.226 -8.880 -0.454 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -19.261 -9.339 -1.574 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -27.779 -14.765 -8.188 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -27.516 -15.675 -7.948 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -28.175 -14.858 -9.082 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -18.913 -19.442 -6.001 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -18.205 -19.040 -6.546 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -18.437 -19.806 -5.223 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -21.125 -16.215 -1.304 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -20.796 -15.942 -2.192 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -21.472 -15.401 -0.920 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -12.938 -10.782 -2.781 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -12.795 -9.828 -2.867 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -12.733 -10.970 -1.834 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -18.302 -13.514 1.343 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -19.127 -13.131 0.978 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -17.981 -12.829 1.964 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -24.562 -15.835 -8.701 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -24.727 -14.943 -9.068 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -23.864 -15.699 -8.040 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -20.338 -12.040 0.305 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -20.610 -12.496 -0.519 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -20.085 -11.134 0.002 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -17.228 -15.863 2.154 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -17.859 -16.077 2.848 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -17.618 -15.069 1.714 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -31.144 -6.956 -6.218 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -31.570 -6.874 -7.097 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -30.575 -7.751 -6.301 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -27.877 -6.156 -5.859 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -27.900 -6.060 -4.878 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -27.383 -7.005 -6.005 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -8.141 -9.064 -0.460 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -8.791 -8.350 -0.661 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -8.654 -9.891 -0.585 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -12.451 -15.644 -6.288 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -12.977 -15.927 -5.502 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -11.928 -14.896 -5.962 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -9.751 -13.587 -2.252 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -9.513 -14.527 -2.364 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -10.570 -13.485 -2.779 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -12.359 -11.216 -0.153 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -11.389 -11.174 -0.028 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -12.720 -11.276 0.763 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -12.263 -16.136 -8.968 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -11.753 -15.414 -9.393 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -12.210 -15.930 -8.008 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -12.231 -19.807 -8.706 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -12.742 -19.730 -9.550 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -12.055 -20.750 -8.624 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -13.833 -16.454 -4.089 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -14.675 -16.898 -4.354 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -13.918 -16.350 -3.108 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -19.860 -12.933 4.088 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -18.965 -12.576 3.941 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -20.449 -12.211 3.810 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -15.084 -15.060 -7.764 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -15.218 -15.522 -8.615 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -14.314 -15.498 -7.374 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -14.297 -16.439 -1.469 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -13.924 -16.319 -0.576 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -15.056 -17.053 -1.334 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -15.273 -20.922 1.014 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -15.297 -21.414 1.837 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -15.383 -19.985 1.290 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -20.696 -7.585 0.685 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -21.532 -7.102 0.499 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -20.049 -6.878 0.892 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -18.880 -6.585 4.297 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -19.399 -7.394 4.375 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -19.546 -5.863 4.329 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -25.766 -7.009 -0.859 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -26.091 -6.094 -0.745 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -26.543 -7.489 -1.232 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -23.055 -6.255 0.090 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -23.863 -6.748 -0.147 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -23.162 -5.387 -0.363 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -19.912 -8.560 -6.445 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -19.858 -9.005 -7.318 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -19.008 -8.634 -6.083 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -15.990 -10.574 0.941 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -16.463 -9.714 1.019 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -15.691 -10.591 0.013 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -15.458 -9.915 -1.784 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -14.959 -9.075 -1.679 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -14.851 -10.486 -2.285 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -27.904 -8.201 -2.090 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -28.873 -8.386 -2.075 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -27.571 -8.759 -2.835 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -18.639 1.728 -39.674 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -19.337 2.348 -39.380 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -17.962 2.309 -40.075 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -31.587 -0.759 -39.029 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -30.843 -0.339 -38.536 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -32.392 -0.345 -38.649 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -30.685 2.379 -33.365 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -31.136 2.862 -34.100 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -31.248 1.605 -33.210 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -15.812 7.599 -37.590 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -15.168 7.485 -38.316 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -15.273 7.463 -36.770 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -24.405 -2.079 -38.782 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -24.047 -1.597 -38.010 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -24.927 -1.406 -39.262 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -16.031 -2.710 -40.205 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -15.376 -2.240 -39.636 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.599 -1.991 -40.557 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -27.255 -3.358 -34.687 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -27.867 -2.956 -35.346 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -27.423 -2.869 -33.879 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -21.874 1.458 -37.977 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -22.766 1.698 -38.322 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -21.302 2.200 -38.266 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -20.355 3.660 -38.587 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -20.085 4.473 -39.068 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -20.922 3.997 -37.860 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -28.975 1.723 -35.476 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -29.465 1.943 -34.665 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -28.382 2.501 -35.618 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -16.200 -6.705 -35.626 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -15.748 -7.444 -35.156 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -15.617 -6.515 -36.387 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -24.303 2.239 -38.900 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -25.013 2.626 -38.342 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -24.295 2.808 -39.696 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -16.866 3.627 -40.725 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -17.007 4.248 -41.469 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -16.504 4.182 -40.020 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -13.594 7.385 -39.397 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -13.119 8.210 -39.545 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -13.019 6.887 -38.760 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -16.074 1.281 -41.982 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -15.539 1.625 -42.700 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -16.303 2.071 -41.452 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -26.544 3.605 -38.113 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -26.836 3.687 -37.163 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -26.679 4.491 -38.471 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -25.888 6.929 -38.230 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -25.705 7.788 -37.797 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -26.540 6.488 -37.611 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -23.102 -0.643 -36.754 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -23.486 -0.321 -35.929 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -22.661 0.148 -37.139 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -19.841 6.212 -39.401 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -20.532 6.855 -39.629 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -19.080 6.461 -39.980 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -25.231 1.710 -42.230 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -25.148 1.937 -43.159 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -25.071 2.556 -41.761 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -16.402 7.217 -32.588 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -17.317 7.345 -32.901 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -16.074 6.474 -33.108 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -26.544 6.122 -40.728 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -26.313 6.880 -41.278 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -26.373 6.433 -39.808 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -21.342 -4.920 -36.768 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -21.328 -3.959 -36.944 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -20.828 -5.304 -37.502 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -25.708 0.143 -40.011 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -25.123 0.764 -39.531 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -25.593 0.393 -40.954 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -20.435 -2.113 -44.294 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -20.960 -1.307 -44.249 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -20.847 -2.629 -44.994 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -17.680 -0.670 -41.038 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -17.021 -0.093 -41.493 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -18.236 -0.041 -40.541 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -31.342 -3.142 -37.776 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -31.384 -2.324 -38.326 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -31.768 -2.876 -36.921 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -20.995 -2.319 -37.439 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -21.796 -1.837 -37.142 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -20.321 -1.613 -37.552 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -28.899 -2.381 -36.617 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -29.754 -2.738 -36.911 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -28.905 -1.455 -36.940 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -18.534 10.305 -32.794 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -19.461 10.569 -32.987 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -18.522 9.343 -32.961 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -19.490 -0.010 -37.706 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -18.986 0.458 -38.402 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -20.337 0.475 -37.664 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -25.802 -6.255 -41.250 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -25.804 -7.152 -41.645 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -24.852 -6.072 -41.088 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -24.669 4.101 -40.916 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -25.485 4.632 -41.011 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -24.068 4.684 -40.403 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -22.119 5.007 -36.920 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -21.834 5.905 -36.651 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -22.752 5.166 -37.650 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -21.413 3.982 -34.350 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -21.785 4.170 -35.232 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -21.633 4.770 -33.824 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -17.601 -5.068 -40.056 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -17.185 -4.271 -40.441 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -17.047 -5.809 -40.385 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -20.644 -5.509 -41.864 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -20.836 -4.601 -41.581 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -19.782 -5.438 -42.325 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -22.277 -3.613 -39.667 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -23.083 -3.091 -39.455 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -21.624 -3.313 -39.013 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -14.314 7.372 -35.370 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -13.517 6.822 -35.241 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -14.264 8.039 -34.655 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -29.290 5.987 -41.172 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -28.324 5.988 -41.024 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -29.609 5.225 -40.649 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -21.731 6.276 -32.694 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -22.426 6.942 -32.748 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -22.062 5.642 -32.014 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -32.226 11.041 -42.543 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -31.995 10.591 -43.364 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -31.825 10.482 -41.841 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -29.003 9.462 -38.015 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -28.385 8.802 -37.674 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -29.819 8.958 -38.182 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -9.242 5.611 -38.073 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -8.886 6.491 -37.908 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -8.853 5.054 -37.353 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -14.178 4.554 -33.197 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -15.082 4.293 -33.451 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -14.158 4.426 -32.227 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -12.402 -2.882 -41.203 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -12.761 -2.144 -41.703 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -12.000 -2.463 -40.413 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -16.441 5.557 -42.724 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -15.559 5.528 -42.278 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -16.231 5.602 -43.664 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -18.562 -2.882 -42.445 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -18.244 -2.105 -41.940 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -19.210 -2.506 -43.080 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -14.143 -4.730 -40.197 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -13.365 -4.271 -40.590 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -14.858 -4.058 -40.239 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -33.529 0.280 -33.015 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -33.960 0.918 -33.618 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -34.251 -0.329 -32.757 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -25.716 -8.808 -42.297 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -26.523 -8.563 -42.789 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -25.861 -9.748 -42.064 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -14.266 5.383 -41.165 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -13.723 4.675 -40.803 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -14.065 6.156 -40.592 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -21.099 7.567 -36.554 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -21.436 7.774 -37.449 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -20.133 7.444 -36.686 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -30.524 8.801 -33.636 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -30.367 9.755 -33.583 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -30.127 8.444 -32.822 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -26.216 11.452 -35.475 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -26.924 11.672 -36.119 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -26.028 12.288 -35.037 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -18.485 7.210 -37.203 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -17.504 7.285 -37.278 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -18.739 6.643 -37.959 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -16.706 9.859 -36.173 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -16.380 9.126 -36.727 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -17.200 10.432 -36.797 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -25.702 8.974 -36.429 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -26.131 8.321 -35.853 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -25.875 9.840 -35.982 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -23.529 5.965 -39.164 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -22.999 6.773 -39.310 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -24.379 6.299 -38.795 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -21.938 8.327 -39.076 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -21.078 8.815 -39.135 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -22.603 9.035 -38.922 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -18.572 -7.791 -36.930 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -17.925 -7.298 -36.390 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -18.958 -7.114 -37.524 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -15.652 -6.978 -40.652 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -14.965 -6.282 -40.578 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -15.461 -7.584 -39.906 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -22.880 -9.421 -41.605 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -22.063 -8.998 -41.964 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -23.602 -9.029 -42.125 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -23.146 -6.019 -40.590 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -22.925 -5.147 -40.187 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -22.429 -6.168 -41.233 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -18.203 -5.384 -43.329 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -17.723 -5.314 -44.162 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -18.227 -4.458 -42.985 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -19.062 7.591 -33.589 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -19.896 7.168 -33.308 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -19.120 7.615 -34.554 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -11.106 1.508 -12.862 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -11.924 1.202 -13.309 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -10.706 2.134 -13.503 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -14.272 2.909 -27.803 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -14.747 3.721 -27.524 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -14.912 2.193 -27.631 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -16.458 -5.249 -21.873 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -17.036 -6.041 -21.806 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -16.034 -5.192 -21.001 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -25.808 1.180 -2.557 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -24.906 0.935 -2.306 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -25.920 2.074 -2.186 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -15.128 2.816 -2.561 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -14.498 2.555 -3.264 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -15.792 3.370 -3.024 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -26.110 7.138 -2.538 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -26.666 6.629 -1.939 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -25.354 6.548 -2.721 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -27.590 -3.463 -5.889 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -27.519 -4.439 -5.900 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -27.143 -3.202 -5.078 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -28.523 2.612 -3.255 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -27.986 1.804 -3.256 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -29.451 2.282 -3.169 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -21.551 4.205 -4.021 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -21.301 4.937 -4.631 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -20.781 3.601 -4.047 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -13.176 -5.156 -1.339 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -13.401 -4.580 -0.576 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -13.017 -4.530 -2.069 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -26.202 1.460 -5.231 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -26.134 0.621 -5.695 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -26.045 1.229 -4.288 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -8.969 -4.214 -2.711 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -9.750 -4.769 -2.877 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -8.290 -4.843 -2.416 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -24.994 -9.596 -1.506 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -25.143 -8.709 -1.130 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -25.849 -10.034 -1.426 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -17.619 6.449 -6.854 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -18.398 6.372 -7.435 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -17.982 6.378 -5.953 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -23.047 2.430 -2.420 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -22.263 1.863 -2.256 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -22.715 3.118 -3.030 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -25.126 -3.405 1.081 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -24.457 -3.405 0.344 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -24.664 -3.847 1.817 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -27.136 4.680 -7.266 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -26.379 4.239 -7.711 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -26.822 5.605 -7.127 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -17.378 4.353 -3.235 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -17.679 4.404 -2.300 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -17.613 5.233 -3.609 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -13.637 -7.816 -2.083 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -13.589 -6.919 -1.686 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -13.450 -7.668 -3.031 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -15.528 7.855 -4.059 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -15.016 8.623 -4.393 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -14.856 7.241 -3.746 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -15.695 8.309 -7.412 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -16.343 7.579 -7.252 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -15.336 8.505 -6.532 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -12.808 2.224 -4.193 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -12.085 1.570 -4.100 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -12.425 3.057 -3.831 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -17.282 -0.471 0.487 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -18.260 -0.432 0.398 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -16.983 0.434 0.222 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -23.851 5.771 -3.560 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -22.988 5.312 -3.539 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -24.412 5.196 -4.129 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -24.744 -4.045 -3.123 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -25.650 -4.168 -2.803 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -24.227 -3.842 -2.307 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -18.417 4.232 -0.696 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -18.350 4.643 0.189 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -19.341 3.915 -0.735 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -24.596 3.159 -0.333 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -25.314 3.657 -0.764 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -23.982 2.940 -1.070 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -18.045 6.866 -4.133 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -17.127 7.223 -4.068 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -18.587 7.652 -4.335 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -19.161 11.655 -6.354 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -18.995 10.857 -5.809 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -18.268 11.948 -6.631 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -21.117 6.430 -5.504 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -21.109 6.978 -4.693 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -21.010 7.081 -6.230 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -16.633 10.354 -8.953 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -16.344 9.985 -9.823 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -16.432 9.633 -8.317 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -17.923 -6.655 -1.403 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -17.961 -7.453 -1.968 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -17.623 -6.990 -0.543 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -15.902 -2.373 1.853 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -16.417 -2.582 2.641 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -16.353 -1.586 1.471 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -20.691 0.715 2.409 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -21.485 1.217 2.120 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -20.852 0.535 3.338 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -27.107 -1.532 1.168 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -26.662 -0.684 1.074 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -26.378 -2.187 1.175 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -30.334 -4.318 -6.458 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -30.569 -5.213 -6.138 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -29.464 -4.140 -6.058 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -16.741 2.012 -0.448 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -17.359 2.769 -0.470 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -16.117 2.193 -1.180 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -19.469 4.645 1.823 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -20.089 4.153 1.246 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -19.637 4.298 2.700 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -26.391 3.982 -2.302 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -27.306 3.674 -2.475 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -26.026 4.148 -3.193 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -20.906 3.096 0.021 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -20.858 2.483 -0.741 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -21.663 2.761 0.545 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -13.420 8.891 -8.905 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -14.310 8.685 -8.545 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -13.562 9.708 -9.445 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -25.441 4.091 -4.976 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -25.817 4.558 -5.742 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -25.650 3.143 -5.149 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -19.293 9.236 -4.955 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -19.997 9.075 -4.293 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -19.715 9.007 -5.813 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -20.617 1.323 -2.045 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -19.991 1.581 -2.753 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -20.142 0.633 -1.537 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -29.024 -3.343 0.530 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -29.688 -3.358 1.223 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -28.453 -2.574 0.759 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -19.596 6.373 -8.891 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -20.101 6.700 -9.668 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -18.886 5.818 -9.283 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -20.517 8.459 -7.274 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -20.871 9.219 -7.784 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -20.173 7.850 -7.961 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -13.693 -3.235 0.556 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -14.506 -2.956 1.036 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -12.975 -2.888 1.091 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -23.927 -9.555 -3.982 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -24.220 -9.670 -3.049 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -24.475 -10.195 -4.482 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -25.856 7.047 -6.846 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -25.048 7.536 -6.602 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -26.355 7.685 -7.401 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -19.213 2.521 -4.134 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -18.532 3.183 -3.875 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -18.777 1.992 -4.830 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -22.956 1.852 1.397 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -23.323 0.937 1.385 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -23.651 2.393 0.956 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -23.638 -0.819 1.436 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -22.937 -1.319 0.961 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -24.172 -1.505 1.855 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -19.973 -0.402 0.063 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -20.166 0.073 0.907 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -20.668 -1.093 0.017 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -22.684 -4.328 2.101 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -22.736 -5.164 1.600 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -22.387 -3.668 1.434 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -20.428 -4.424 3.632 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -19.951 -3.947 2.931 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -21.366 -4.373 3.357 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -18.598 -6.063 1.645 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -18.777 -5.113 1.493 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -18.558 -6.147 2.628 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -19.936 -9.369 2.736 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -20.264 -8.732 2.075 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -20.665 -10.021 2.818 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -13.764 2.120 -6.898 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -13.524 2.980 -7.314 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -13.539 2.240 -5.956 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -12.116 -1.498 -5.541 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -12.067 -0.970 -6.368 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -12.924 -2.047 -5.656 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -12.020 4.512 -2.873 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -11.506 5.316 -2.779 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -12.505 4.435 -2.021 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -11.520 1.369 -10.201 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -11.310 1.422 -11.161 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -11.598 2.293 -9.928 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -17.239 -2.940 -0.711 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -16.505 -3.415 -0.296 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -17.170 -2.029 -0.351 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -19.366 -3.462 1.137 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -18.717 -3.289 0.425 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -20.188 -3.024 0.824 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -27.669 -5.677 -3.181 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -27.553 -5.160 -2.360 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -27.877 -6.582 -2.863 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -13.948 9.671 -5.369 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -13.096 9.334 -5.708 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -13.934 10.618 -5.605 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -21.245 8.205 -3.329 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -21.174 7.985 -2.392 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -22.172 8.524 -3.432 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -23.915 8.531 -3.675 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -23.863 7.553 -3.763 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -24.771 8.680 -3.237 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -24.215 9.321 -6.345 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -24.043 9.201 -5.393 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -23.788 10.179 -6.559 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -20.845 7.767 -10.932 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -20.249 8.533 -10.868 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -21.622 8.118 -11.426 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -13.445 11.286 -10.192 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -13.895 11.578 -11.013 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -13.394 12.098 -9.646 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -20.054 17.724 -37.857 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -20.043 17.841 -36.882 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -20.665 18.418 -38.175 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -28.844 16.574 -37.718 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -29.796 16.773 -37.594 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -28.394 17.386 -37.440 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -28.215 16.384 -42.827 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -27.941 16.882 -43.603 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -29.173 16.201 -42.986 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -27.904 21.531 -37.765 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -27.539 20.685 -38.108 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -27.123 22.042 -37.521 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -19.066 16.152 -39.830 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -19.480 16.633 -39.077 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -18.819 16.844 -40.443 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -24.770 15.909 -39.248 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -25.504 15.501 -38.729 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -24.091 15.227 -39.271 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -27.049 19.087 -38.692 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -26.084 19.075 -38.484 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -27.131 18.457 -39.447 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -17.902 14.069 -38.523 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -18.313 14.686 -39.166 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -17.721 14.630 -37.741 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -28.075 11.968 -37.408 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -28.480 11.118 -37.711 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -28.845 12.510 -37.121 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.786 19.043 -31.204 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -19.095 18.599 -30.661 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -19.290 19.711 -31.722 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -24.369 18.656 -38.660 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -23.440 18.940 -38.765 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -24.354 17.702 -38.869 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -23.461 22.642 -33.963 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -22.537 22.338 -33.896 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -23.964 21.986 -33.444 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -18.232 11.542 -37.672 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -18.804 11.832 -36.932 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -17.985 12.386 -38.126 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -23.806 10.170 -38.046 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -24.452 9.711 -37.466 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -24.360 10.797 -38.566 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -17.863 17.812 -29.751 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -16.894 17.668 -29.795 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -18.032 17.976 -28.797 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -25.063 20.855 -32.630 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -25.271 21.231 -31.751 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -24.730 19.952 -32.431 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -21.063 21.220 -33.617 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -20.136 21.255 -33.312 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -21.389 20.368 -33.283 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -31.800 24.730 -31.969 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -31.596 25.586 -32.356 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -31.550 24.083 -32.674 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -15.518 13.758 -33.639 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -16.458 14.022 -33.685 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -15.541 12.783 -33.764 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -25.806 22.012 -30.285 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -26.765 21.801 -30.329 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -25.771 22.969 -30.372 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -26.856 14.668 -37.935 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -27.558 15.325 -37.741 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -27.304 13.811 -37.849 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -18.790 12.925 -31.839 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -18.600 13.483 -32.627 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -18.539 12.026 -32.119 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -21.907 20.236 -36.074 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -21.542 20.851 -35.410 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -22.371 19.569 -35.545 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -28.130 12.992 -40.647 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -28.489 13.867 -40.377 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -28.039 13.062 -41.602 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -17.684 15.785 -36.347 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -16.921 16.186 -35.886 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -18.309 16.521 -36.461 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -26.916 17.189 -40.575 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -27.175 16.854 -41.457 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -26.094 16.705 -40.363 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -20.229 12.356 -35.919 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -20.652 13.073 -36.406 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -20.838 11.594 -36.032 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -28.466 21.561 -30.523 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -29.244 22.092 -30.233 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -28.753 21.161 -31.355 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -21.784 19.730 -38.703 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -21.865 19.970 -37.746 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -21.585 20.564 -39.139 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -19.816 17.740 -35.122 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -20.618 18.115 -34.713 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -19.225 17.557 -34.364 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -26.375 22.314 -34.514 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -25.618 22.897 -34.679 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -26.024 21.645 -33.887 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -18.167 14.525 -33.934 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -18.176 14.692 -34.900 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -18.252 15.420 -33.538 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -16.170 11.131 -33.868 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -16.984 10.909 -33.369 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -16.325 10.740 -34.763 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -25.914 11.670 -39.168 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -26.419 12.111 -39.872 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -26.521 11.678 -38.406 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -33.320 20.668 -29.646 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -33.302 21.628 -29.826 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -32.467 20.488 -29.196 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -24.144 18.473 -31.753 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -24.914 17.897 -31.626 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -23.647 18.408 -30.898 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -15.677 16.548 -34.409 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -15.106 17.005 -33.757 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -15.387 15.619 -34.364 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -17.933 20.817 -28.416 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -17.992 19.992 -27.883 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -18.841 20.941 -28.767 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -22.168 18.379 -33.683 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -21.833 17.533 -33.312 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -22.982 18.555 -33.165 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -16.094 19.677 -31.861 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -15.757 19.985 -30.994 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -15.458 18.988 -32.132 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -20.963 11.336 -33.448 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -21.558 10.855 -34.052 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -20.543 12.009 -34.018 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -28.986 21.696 -35.257 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -28.766 21.613 -36.209 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -28.125 21.918 -34.836 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -14.502 17.346 -32.034 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -14.671 17.450 -31.073 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -13.945 16.533 -32.090 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -13.413 14.862 -32.214 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -14.141 14.400 -32.680 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -12.787 14.147 -31.981 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -18.018 17.128 -33.060 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -17.857 17.536 -32.195 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -17.131 17.098 -33.481 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -14.539 4.182 -30.388 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -13.993 4.950 -30.124 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -14.376 3.525 -29.686 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -29.267 15.449 -40.183 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -28.998 15.861 -39.332 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -28.883 16.033 -40.861 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -12.590 11.065 -33.589 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -13.003 11.437 -34.374 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -13.128 10.269 -33.389 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -31.082 11.622 -34.821 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -31.759 12.069 -34.272 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -30.670 12.346 -35.333 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -14.469 9.104 -33.199 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -15.079 9.856 -33.361 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -15.026 8.444 -32.732 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -21.913 10.153 -35.893 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -21.620 9.222 -35.973 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -22.588 10.251 -36.594 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -17.650 6.988 -40.729 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -17.258 7.869 -40.744 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -17.290 6.549 -41.529 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -19.503 9.386 -38.743 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -19.103 10.262 -38.553 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -18.981 8.768 -38.206 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -22.129 20.635 -22.048 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -22.570 20.937 -22.867 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -21.618 19.855 -22.326 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -20.611 18.496 -16.810 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -20.083 18.328 -17.629 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -20.398 17.726 -16.231 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -26.858 16.964 -18.908 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -26.199 16.811 -18.199 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -26.584 17.822 -19.305 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -27.716 23.470 -22.821 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -26.823 23.072 -22.718 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -27.799 23.626 -23.777 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -23.982 21.175 -20.149 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -23.659 21.299 -19.234 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -23.166 20.970 -20.668 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -23.306 18.794 -17.389 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -23.454 19.761 -17.369 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -22.339 18.698 -17.273 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -12.632 14.041 -13.377 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -13.184 13.293 -13.053 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -13.158 14.429 -14.099 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -21.306 21.096 -26.725 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -21.909 20.333 -26.904 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -20.801 21.196 -27.556 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -23.877 21.491 -17.381 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -24.851 21.531 -17.533 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -23.707 22.191 -16.744 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -28.299 21.256 -25.318 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -28.202 20.979 -26.253 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -28.606 22.185 -25.375 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -21.415 18.281 -23.499 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -21.298 17.332 -23.342 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -22.315 18.353 -23.885 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -16.633 19.351 -19.354 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -15.771 19.209 -19.755 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -16.450 19.923 -18.583 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -19.625 19.456 -25.223 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -20.172 19.075 -24.507 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -20.167 20.188 -25.574 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -16.266 20.788 -16.987 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -15.984 21.692 -16.815 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -17.186 20.747 -16.620 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -25.378 22.052 -22.386 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -24.682 21.908 -23.066 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -24.909 21.917 -21.533 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -26.525 21.511 -18.060 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -27.020 22.179 -18.551 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -26.658 20.693 -18.570 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -17.887 18.444 -27.046 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -18.483 18.752 -26.320 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -17.207 17.899 -26.581 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -27.094 18.132 -15.415 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -26.527 18.326 -14.639 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -26.492 17.677 -16.041 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -29.524 21.937 -15.369 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -28.859 21.926 -16.066 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -29.176 21.316 -14.696 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -29.716 21.994 -21.661 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -30.533 22.226 -22.159 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -29.013 22.519 -22.098 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -15.220 16.646 -12.729 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -16.008 16.435 -13.273 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -14.685 17.222 -13.302 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -20.112 13.766 -15.200 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -19.662 13.420 -16.000 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -20.283 12.970 -14.659 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -15.130 17.660 -29.374 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -14.661 17.193 -28.647 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -15.037 18.610 -29.150 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -19.909 16.448 -15.148 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -20.178 16.705 -14.235 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -20.027 15.469 -15.164 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -25.034 16.884 -16.751 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -24.422 17.576 -17.112 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -24.618 16.621 -15.908 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -18.865 17.883 -18.768 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -18.179 18.526 -19.051 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -18.479 17.017 -18.987 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -23.828 18.595 -24.872 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -24.786 18.507 -24.951 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -23.513 18.655 -25.810 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -18.747 20.562 -15.928 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -19.267 19.962 -16.488 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -19.224 20.560 -15.078 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -25.991 19.312 -20.136 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -25.204 19.899 -20.072 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -26.182 19.278 -21.083 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -16.088 22.752 -27.741 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -16.379 23.246 -26.974 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -16.833 22.147 -27.937 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -29.688 17.368 -16.081 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -30.180 17.847 -15.386 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -28.751 17.596 -15.913 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -26.115 18.785 -12.933 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -26.863 19.396 -12.817 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -26.427 17.944 -12.535 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -13.633 14.464 -25.365 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -13.543 13.619 -25.845 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -13.175 14.303 -24.518 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -20.884 19.720 -14.286 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -21.816 19.660 -13.977 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -20.908 19.346 -15.188 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -23.559 22.610 -26.721 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -23.472 23.379 -27.293 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -22.677 22.174 -26.770 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -23.615 21.297 -24.289 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -23.601 21.832 -25.110 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -23.669 20.372 -24.606 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -25.702 14.473 -14.166 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -26.549 14.503 -14.677 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -25.857 13.779 -13.482 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -23.250 21.101 -29.599 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -24.192 21.317 -29.739 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -23.248 20.138 -29.422 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -20.545 20.909 -29.344 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -21.476 21.191 -29.502 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -20.405 20.186 -29.992 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -27.078 20.102 -23.192 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -26.454 20.781 -22.856 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -27.431 20.495 -24.026 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -21.071 11.389 -14.191 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -21.793 11.162 -13.556 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -20.361 10.771 -13.967 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -25.281 20.475 -27.417 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -24.528 19.850 -27.525 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -24.851 21.331 -27.232 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -29.012 23.922 -25.523 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -28.835 24.599 -26.187 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -29.969 24.025 -25.326 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -27.963 20.516 -27.942 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -28.013 20.846 -28.859 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -26.994 20.413 -27.777 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -18.401 21.016 -32.538 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -18.135 21.924 -32.355 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -17.566 20.498 -32.443 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -23.370 18.933 -13.488 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -23.418 18.011 -13.812 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -24.284 19.133 -13.210 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -15.357 20.417 -29.262 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -14.938 21.197 -28.861 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -16.300 20.494 -28.999 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -23.725 16.298 -14.234 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -24.488 15.693 -14.091 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -22.991 15.862 -13.766 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -20.776 17.411 -12.776 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -21.424 17.536 -12.076 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -20.641 18.310 -13.141 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -25.866 14.431 -10.231 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -26.336 15.164 -10.662 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -25.926 13.693 -10.883 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -22.890 13.865 -12.848 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -23.057 12.905 -12.702 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -22.814 14.233 -11.939 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -16.069 13.448 -14.480 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -16.765 14.111 -14.326 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -15.363 13.950 -14.931 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -16.294 10.661 -15.296 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -16.329 11.594 -15.019 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -15.816 10.213 -14.567 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -27.183 16.258 -12.416 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -26.711 15.741 -13.091 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -28.131 16.137 -12.640 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -30.809 20.405 -28.363 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -29.901 20.230 -28.054 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -30.764 21.312 -28.725 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -13.555 14.626 -21.369 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -13.080 14.227 -22.128 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -14.406 14.167 -21.355 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -13.681 16.152 -27.484 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -13.107 15.696 -28.119 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -13.572 15.637 -26.652 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -15.635 15.891 -17.677 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -16.246 15.844 -18.434 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -15.770 16.790 -17.313 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -28.759 16.927 -21.032 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -29.417 16.256 -20.728 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -28.042 16.872 -20.370 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -13.498 17.612 -14.745 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -13.657 16.675 -15.004 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -12.540 17.710 -14.790 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -17.178 16.211 -14.678 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -18.141 16.310 -14.831 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -16.773 16.858 -15.289 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -28.093 14.917 -15.271 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -28.786 15.263 -14.669 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -28.401 15.175 -16.160 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -14.500 12.232 -12.566 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -15.223 12.641 -13.084 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -14.514 11.279 -12.842 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -12.292 13.558 -28.826 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -12.518 13.508 -29.773 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -11.469 13.031 -28.752 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -25.897 11.657 -16.465 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -26.748 12.138 -16.433 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -26.135 10.786 -16.827 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -12.801 12.059 -6.515 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -12.668 12.770 -5.849 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -12.962 12.548 -7.351 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -18.056 12.242 -10.411 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -17.634 11.534 -9.885 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -18.841 11.810 -10.801 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -20.313 10.541 -10.942 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -20.641 10.758 -10.042 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -21.130 10.306 -11.445 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -23.111 14.718 -10.243 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -22.836 14.423 -9.369 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -24.088 14.725 -10.196 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -16.724 12.586 -7.372 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -16.587 13.262 -8.070 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -16.603 11.732 -7.845 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -19.512 15.170 -7.319 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -18.597 15.370 -7.099 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -19.490 14.953 -8.258 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -21.063 10.976 -8.339 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -21.910 11.266 -7.937 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -20.380 11.314 -7.724 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -16.051 13.996 -9.645 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -15.494 14.406 -10.333 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -16.733 13.496 -10.151 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -12.911 14.309 -4.937 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.889 14.235 -5.005 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -12.766 15.156 -4.512 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -13.478 13.587 -8.735 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -14.451 13.666 -8.739 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -13.185 14.263 -9.381 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -23.152 11.825 -6.787 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -23.878 12.397 -7.128 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -22.553 12.453 -6.320 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -15.588 13.786 -5.132 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -15.921 13.403 -5.969 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -16.065 13.307 -4.449 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -25.187 13.404 -7.718 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -26.014 13.387 -7.225 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -25.444 13.734 -8.605 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -21.161 13.459 -5.893 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -20.421 12.818 -5.916 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -20.783 14.271 -6.285 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -4.874 -9.788 -31.059 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -5.714 -9.330 -30.839 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -5.157 -10.626 -31.445 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -10.601 -11.088 -32.259 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -11.327 -10.869 -32.873 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -9.960 -10.355 -32.381 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -6.531 -9.237 -25.038 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -7.033 -9.501 -25.833 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -5.614 -9.121 -25.368 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -6.762 -9.762 -27.764 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -7.454 -10.152 -28.338 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -6.372 -9.054 -28.304 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -9.239 -8.757 -32.673 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -9.991 -8.312 -32.208 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -9.348 -8.488 -33.607 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -10.172 -8.078 -35.253 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -9.612 -8.401 -35.969 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -10.478 -7.199 -35.567 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -1.332 -15.680 -15.837 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -1.939 -15.758 -15.074 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -1.894 -15.825 -16.603 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 0.942 -15.225 -14.385 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 1.274 -14.353 -14.684 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 0.221 -15.442 -15.022 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 6.029 -13.175 -15.555 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 5.326 -13.212 -16.234 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 6.551 -12.394 -15.801 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -9.206 -14.992 -24.103 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -9.093 -15.387 -23.203 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -10.159 -14.728 -24.128 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -1.581 -13.367 -18.905 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -0.653 -13.559 -18.663 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -1.602 -13.485 -19.877 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -1.397 -13.494 -21.764 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -1.388 -13.762 -22.698 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -0.450 -13.560 -21.484 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -6.961 -16.731 -17.416 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -6.630 -17.253 -16.655 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -7.942 -16.845 -17.372 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -5.882 -13.122 -14.978 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -6.572 -12.651 -14.464 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -6.362 -13.476 -15.753 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -11.685 -12.224 -21.725 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -11.067 -12.965 -21.742 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -12.176 -12.338 -20.889 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 3.729 -12.835 -17.165 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 3.268 -12.652 -16.320 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 3.713 -11.976 -17.640 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 1.041 -13.480 -20.669 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 1.170 -13.681 -19.722 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 1.803 -12.907 -20.897 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -2.025 -12.793 -24.517 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -2.781 -13.421 -24.526 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -1.923 -12.530 -25.459 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -7.173 -16.587 -25.188 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -7.666 -17.130 -25.806 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -7.853 -16.055 -24.740 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -4.072 -12.371 -20.059 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -4.955 -12.225 -19.653 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -3.586 -12.885 -19.395 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -6.969 -18.166 -15.099 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -6.959 -19.081 -14.803 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -7.875 -17.872 -14.938 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -7.212 -14.002 -17.251 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -7.110 -13.704 -18.171 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -7.032 -14.970 -17.291 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 6.739 -13.672 -10.402 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 6.387 -13.629 -11.323 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 7.617 -13.250 -10.467 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -3.207 -13.256 -14.446 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -3.119 -14.157 -14.068 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -4.175 -13.169 -14.633 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -2.957 -7.486 -27.985 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -3.821 -7.375 -28.449 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -2.621 -6.565 -27.889 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -0.541 -5.160 -21.682 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 0.224 -5.694 -21.409 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -1.284 -5.803 -21.723 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 4.879 -9.319 -11.972 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 4.994 -8.354 -11.856 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 5.565 -9.713 -11.396 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -7.777 -11.783 -13.488 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -8.654 -12.207 -13.360 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -7.510 -11.519 -12.600 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -4.608 -12.252 -26.304 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -4.546 -13.178 -25.994 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -4.705 -11.734 -25.480 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -2.558 -15.709 -13.338 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -1.812 -15.397 -12.781 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -2.912 -16.465 -12.857 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -6.683 -16.017 -20.029 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -5.732 -16.021 -20.174 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -6.789 -16.378 -19.122 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -0.177 -10.656 -24.396 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -0.487 -10.168 -25.177 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -0.553 -11.547 -24.508 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -9.607 -16.771 -16.981 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -9.774 -15.829 -16.781 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -10.506 -17.161 -17.051 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -1.908 -11.943 -16.570 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -1.914 -12.467 -17.401 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -2.411 -12.494 -15.934 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 3.529 -16.088 -13.939 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 2.565 -15.929 -14.001 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 3.876 -15.755 -14.772 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 3.167 -11.850 -21.271 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 3.844 -12.255 -21.826 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 2.772 -11.149 -21.846 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -0.373 -14.540 -12.079 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -0.521 -13.649 -12.467 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 0.231 -14.979 -12.718 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -5.189 -11.288 -23.722 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -5.782 -10.549 -23.976 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -5.786 -12.066 -23.678 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -0.886 -12.160 -13.361 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -1.760 -12.454 -13.699 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -0.505 -11.641 -14.103 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 2.080 -10.002 -22.919 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 2.112 -9.042 -22.982 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 1.309 -10.254 -23.476 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 0.282 -10.779 -15.450 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -0.436 -11.064 -16.060 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 0.737 -10.066 -15.930 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 1.157 -13.638 -17.907 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 2.131 -13.536 -17.846 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 0.870 -13.681 -16.986 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -2.827 -10.037 -29.079 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -3.499 -10.079 -29.783 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -2.733 -9.084 -28.897 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -2.068 -11.699 -27.029 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -3.015 -11.922 -26.915 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -2.045 -11.202 -27.872 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -6.885 -13.415 -24.358 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -7.671 -13.912 -24.057 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -7.079 -13.212 -25.300 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -7.256 -12.758 -27.037 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -6.339 -12.420 -27.021 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -7.703 -12.202 -27.712 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 2.582 -8.687 -17.158 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 2.534 -8.005 -17.862 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 2.886 -9.491 -17.629 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -2.874 -5.405 -30.306 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -3.443 -4.894 -30.889 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -2.817 -6.287 -30.738 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 0.746 -11.292 -11.347 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 0.081 -11.537 -12.028 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 0.280 -11.413 -10.508 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -10.275 -12.872 -13.327 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -11.249 -12.788 -13.406 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -10.147 -13.739 -12.882 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -6.469 -11.698 -18.827 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -6.763 -11.691 -17.909 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -6.884 -10.890 -19.220 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -2.959 -7.847 -31.567 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -2.411 -8.279 -32.229 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -3.680 -8.487 -31.397 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -11.438 -15.485 -14.435 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -10.794 -15.166 -15.099 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -10.907 -15.598 -13.621 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -4.319 -14.454 -24.660 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -5.212 -14.185 -24.352 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -4.409 -15.402 -24.838 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -4.117 -9.283 -26.252 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -4.374 -10.000 -26.859 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -3.758 -8.589 -26.841 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -9.378 -14.542 -26.894 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -9.267 -14.790 -25.958 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -8.568 -14.035 -27.104 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 6.035 -9.611 -19.150 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 6.869 -9.810 -19.589 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 6.199 -9.849 -18.203 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 4.543 -9.933 -14.662 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 4.213 -9.032 -14.840 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 4.726 -9.932 -13.702 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 4.349 -11.123 -8.866 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 5.159 -10.807 -9.315 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 4.671 -11.500 -8.020 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 2.074 -12.770 -14.943 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 1.534 -11.955 -15.025 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 2.487 -12.696 -14.052 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -8.875 -16.138 -21.674 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -9.177 -16.995 -21.362 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -8.081 -15.950 -21.125 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 5.509 -13.397 -12.870 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 4.619 -13.004 -12.780 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 5.686 -13.362 -13.837 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 5.179 -6.977 -19.529 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 4.240 -6.948 -19.268 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 5.434 -7.914 -19.403 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 2.022 -5.122 -15.004 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 1.756 -4.338 -15.543 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 1.268 -5.748 -15.106 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -8.665 -11.391 -28.988 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -8.609 -11.989 -29.771 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -9.612 -11.254 -28.866 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -0.806 -8.546 -26.559 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -0.212 -8.948 -27.205 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -1.585 -8.270 -27.089 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 3.503 -10.632 -18.818 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 3.280 -11.073 -19.667 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 4.405 -10.273 -18.967 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -7.389 -8.488 -30.732 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -7.890 -8.688 -31.557 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -8.081 -8.487 -30.030 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 2.164 -8.899 -11.393 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 1.673 -9.744 -11.428 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 3.081 -9.146 -11.623 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 1.749 -14.959 -2.420 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 2.071 -14.298 -3.068 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 1.112 -15.504 -2.933 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -2.102 -16.485 -0.768 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -1.196 -16.561 -0.400 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -2.094 -15.625 -1.243 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -7.032 -14.663 -0.168 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -7.519 -14.577 -1.001 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -6.209 -15.134 -0.419 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -11.632 -18.534 -6.170 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -11.952 -17.639 -6.369 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -11.728 -19.015 -7.011 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -11.865 -18.241 -3.455 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -12.564 -17.580 -3.641 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -11.564 -18.523 -4.348 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -2.295 -14.178 -2.258 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -2.887 -14.310 -3.017 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -2.613 -13.349 -1.846 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -0.040 -22.549 -1.088 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -0.732 -22.749 -0.451 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 0.246 -23.410 -1.407 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -9.380 -15.326 2.557 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -8.455 -15.621 2.709 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -9.808 -16.089 2.166 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 3.872 -15.397 -0.731 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 4.029 -16.351 -0.864 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 3.118 -15.194 -1.322 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -1.859 -14.685 -6.077 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -1.549 -13.795 -6.331 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -1.100 -15.265 -6.272 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 8.764 -16.902 -0.505 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 8.585 -17.165 0.405 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 8.041 -17.331 -1.024 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 0.024 -16.500 -3.819 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -0.942 -16.654 -3.766 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 0.184 -16.305 -4.766 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 1.337 -18.146 -1.968 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 1.046 -17.618 -1.195 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 0.919 -17.696 -2.733 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -4.060 -15.295 -4.520 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -3.444 -14.970 -5.216 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -3.591 -16.072 -4.136 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -4.841 -16.400 -0.439 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -5.031 -16.840 0.402 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -3.860 -16.436 -0.511 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -5.622 -13.531 3.057 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -6.355 -12.910 3.142 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -4.918 -13.010 2.631 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 0.542 -16.125 -6.533 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 0.736 -17.052 -6.717 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 1.155 -15.635 -7.121 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -6.627 -14.816 -6.277 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -6.192 -15.621 -6.574 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -6.092 -14.522 -5.526 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -6.743 -15.917 2.286 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -6.193 -15.262 2.767 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -6.871 -15.517 1.406 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -9.592 -11.439 -0.451 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -9.652 -12.091 -1.184 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -9.269 -11.967 0.309 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 6.232 -10.547 2.204 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 6.516 -10.167 3.066 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 5.270 -10.408 2.192 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -4.168 -11.593 1.601 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -3.875 -10.920 2.261 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -5.097 -11.331 1.396 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 1.183 -4.781 -8.411 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 1.798 -4.323 -9.010 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 1.310 -5.733 -8.621 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -2.352 -12.440 -9.748 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -3.075 -13.057 -9.880 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -1.575 -13.011 -9.576 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -2.114 -19.880 -3.949 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -1.209 -20.101 -3.625 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -2.408 -20.681 -4.388 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -2.633 -17.285 -3.381 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -2.535 -18.240 -3.617 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -2.506 -17.265 -2.411 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 7.082 -9.641 4.608 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 7.146 -8.664 4.602 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 6.858 -9.859 5.533 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -0.379 -12.518 -6.997 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -0.177 -12.922 -7.866 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 0.474 -12.481 -6.548 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -1.446 -12.475 1.484 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -1.181 -11.540 1.664 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -2.383 -12.510 1.749 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -6.191 -16.003 -2.798 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -5.527 -15.741 -3.465 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -5.655 -16.302 -2.033 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -1.993 -10.419 -7.889 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -1.476 -11.036 -7.334 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -2.326 -10.981 -8.618 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 0.829 -14.024 1.563 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -0.051 -13.589 1.635 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 1.440 -13.296 1.415 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 4.047 -17.173 -8.983 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 4.894 -17.047 -8.539 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 4.250 -17.038 -9.930 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 4.892 -13.658 1.083 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 4.468 -14.337 0.510 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 5.460 -13.157 0.469 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -10.674 -17.659 -10.674 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -10.698 -18.587 -10.421 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -11.289 -17.225 -10.050 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -2.672 -9.542 -2.499 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -2.715 -10.391 -2.008 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -1.982 -9.695 -3.181 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -0.096 -12.437 -2.976 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -0.531 -13.306 -2.977 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -0.479 -11.985 -2.220 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -0.027 -13.853 -9.439 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -0.112 -14.138 -10.376 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 0.728 -14.383 -9.098 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -8.436 -12.972 1.494 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -7.866 -13.531 0.923 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -8.949 -13.622 2.025 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -10.496 -14.070 -9.540 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -9.926 -14.071 -8.734 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -10.917 -13.199 -9.530 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 0.282 -20.553 -2.931 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 0.263 -21.224 -2.216 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 0.791 -19.811 -2.550 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -0.980 -7.911 -8.011 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -1.382 -7.423 -7.274 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -1.388 -8.809 -7.960 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -0.863 -9.843 1.717 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -1.534 -9.145 1.833 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -0.028 -9.420 2.003 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 1.468 -7.374 -9.125 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 0.578 -7.668 -8.829 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 1.637 -7.895 -9.937 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -9.099 -13.983 -7.141 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -9.307 -13.582 -6.292 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -8.196 -14.350 -7.016 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 2.893 -12.686 -12.322 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 2.189 -12.093 -11.984 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 3.241 -13.120 -11.517 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 0.627 -16.131 -0.198 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 0.694 -15.550 0.593 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 1.029 -15.599 -0.917 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -10.136 -15.300 -11.987 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -10.188 -16.246 -11.723 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -10.169 -14.817 -11.133 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 4.024 -13.599 -9.966 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 4.997 -13.725 -9.997 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 3.913 -12.713 -9.552 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -13.105 -5.621 -6.541 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -13.576 -4.789 -6.282 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -13.451 -5.816 -7.426 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -12.821 -7.589 -4.693 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -12.973 -8.373 -5.263 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -12.993 -6.829 -5.292 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 3.716 -13.160 3.445 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 2.928 -13.700 3.317 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 4.227 -13.279 2.606 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 8.431 -15.659 -5.858 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 8.169 -16.457 -5.335 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 7.882 -15.715 -6.672 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 2.195 -15.206 -8.631 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 2.789 -14.558 -9.067 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 2.698 -16.051 -8.674 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 7.971 -17.711 -4.158 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 7.395 -17.747 -3.370 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 8.497 -18.532 -4.105 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -8.907 -16.227 -2.640 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -9.147 -16.825 -3.360 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -7.923 -16.172 -2.691 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 7.967 -12.288 4.317 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 7.112 -12.629 4.637 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 7.857 -11.318 4.336 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 7.242 -17.069 -10.840 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 7.208 -17.963 -11.198 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 6.383 -16.668 -11.114 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 6.645 -18.110 -1.697 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 6.795 -19.078 -1.818 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 5.679 -18.037 -1.537 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 3.931 -18.143 -1.069 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 3.094 -18.206 -1.583 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 3.730 -18.593 -0.241 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -11.146 -16.829 -1.044 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -10.279 -16.577 -1.414 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -11.522 -17.433 -1.713 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -2.694 -11.777 -0.870 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -2.010 -11.997 -0.203 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -3.496 -11.613 -0.334 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -3.799 -9.595 3.360 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -4.578 -9.203 3.765 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -3.322 -8.831 2.969 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -0.175 -6.379 1.428 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 0.415 -7.044 1.841 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 0.415 -5.884 0.819 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -6.756 -10.776 1.362 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -7.448 -11.461 1.464 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -7.187 -10.079 0.828 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -3.308 -7.650 -0.645 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -3.069 -8.345 -1.298 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -4.291 -7.571 -0.725 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -12.173 -13.359 -3.628 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -12.392 -12.409 -3.507 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -12.837 -13.823 -3.100 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 6.385 -10.741 7.070 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 5.904 -11.403 6.521 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 6.979 -11.273 7.613 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 5.400 -12.777 5.532 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 4.824 -12.758 4.727 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 5.067 -13.527 6.037 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -5.617 3.986 -39.156 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -5.029 4.233 -39.875 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -6.517 4.054 -39.545 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -14.248 -1.570 -38.511 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -14.382 -1.086 -37.681 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -13.276 -1.561 -38.642 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -11.451 -1.635 -38.946 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -10.862 -0.841 -38.989 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -10.859 -2.352 -38.632 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -6.278 -3.483 -40.130 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -7.213 -3.737 -40.264 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -5.903 -3.476 -41.042 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -5.954 -0.145 -37.463 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -5.430 -0.516 -38.213 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -6.035 -0.891 -36.840 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -6.988 -3.602 -37.348 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -6.583 -3.601 -38.238 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -6.341 -3.119 -36.790 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -4.984 1.315 -35.383 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -4.970 2.277 -35.587 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -5.236 0.899 -36.232 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -5.317 3.823 -36.423 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -5.285 3.898 -37.400 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -6.186 4.183 -36.188 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -8.224 1.267 -41.292 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -7.894 0.488 -41.800 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -7.576 1.955 -41.470 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -7.716 1.883 -37.742 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -7.117 1.118 -37.577 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -7.258 2.398 -38.423 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -11.303 9.983 -26.644 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -11.431 9.844 -25.691 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -11.320 9.076 -27.023 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -7.189 -0.845 -42.630 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -7.817 -1.525 -42.937 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -6.354 -1.328 -42.528 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -8.183 3.902 -40.012 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -8.811 3.195 -40.226 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -8.685 4.501 -39.419 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -8.183 4.070 -36.149 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -8.377 3.880 -35.199 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -8.098 3.180 -36.559 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -8.644 -4.471 -35.294 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -8.314 -4.142 -34.431 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -7.942 -4.224 -35.930 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -5.569 -2.061 -35.492 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -6.083 -1.932 -34.677 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -4.749 -1.573 -35.331 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -5.744 -3.271 -42.772 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -5.187 -3.225 -43.582 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -6.650 -3.409 -43.114 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -14.389 -5.810 -37.647 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -13.980 -5.145 -37.057 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -14.260 -5.440 -38.548 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -8.506 -3.246 -43.234 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -9.291 -3.479 -43.739 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -8.719 -3.527 -42.314 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -8.738 3.565 -33.563 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -8.979 2.816 -33.009 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -8.303 4.192 -32.944 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -4.416 -2.920 -45.124 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -3.471 -2.852 -45.289 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -4.824 -2.650 -45.952 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -4.565 -1.546 -39.285 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -3.743 -1.779 -39.721 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -5.206 -2.219 -39.602 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -9.626 0.394 -39.125 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -9.195 0.625 -39.977 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -9.087 0.856 -38.455 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -12.267 5.501 -34.968 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -12.959 5.133 -34.368 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -11.438 5.186 -34.588 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -9.752 -3.665 -38.152 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -8.863 -3.550 -37.756 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -10.157 -4.381 -37.624 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -11.371 7.390 -27.609 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -11.920 7.263 -26.798 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -11.850 6.884 -28.303 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -7.982 -0.844 -32.050 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -7.882 -1.779 -32.312 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -7.178 -0.413 -32.400 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -8.001 -5.720 -31.191 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -8.977 -5.720 -31.030 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -7.763 -6.657 -31.199 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -8.155 -3.518 -32.759 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -7.901 -4.279 -32.183 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -9.088 -3.345 -32.525 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -5.544 -0.118 -33.186 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -4.903 0.223 -32.555 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -5.421 0.450 -33.985 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -5.834 -5.100 -27.459 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -6.804 -5.190 -27.523 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -5.628 -5.402 -26.555 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -8.359 -6.282 -27.186 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -9.244 -5.908 -27.381 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -8.385 -7.165 -27.592 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -5.511 -7.396 -28.994 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -5.674 -6.513 -28.597 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -6.111 -7.428 -29.762 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -11.984 6.038 -37.729 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -12.134 5.814 -36.787 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -11.061 5.760 -37.897 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -12.299 5.596 -29.488 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -12.101 4.813 -28.929 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -11.580 5.608 -30.138 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -8.888 -4.196 -40.693 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -9.179 -5.114 -40.676 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -9.285 -3.805 -39.884 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -10.901 -5.908 -28.236 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -10.830 -5.790 -29.223 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -11.844 -5.844 -28.059 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -4.671 0.391 -19.988 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -3.816 -0.051 -20.219 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -4.834 0.119 -19.078 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -5.056 3.138 -20.140 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -4.940 2.167 -20.068 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -5.051 3.306 -21.102 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -11.457 3.479 -27.983 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -12.323 3.068 -27.775 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -11.066 3.679 -27.106 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 5.531 -5.352 -14.557 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 5.059 -6.109 -14.962 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 5.674 -4.726 -15.310 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -2.331 -0.935 -20.389 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -1.957 -0.541 -21.207 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -1.714 -1.663 -20.175 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -2.705 -6.780 -22.180 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -2.628 -7.458 -22.887 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -3.467 -6.228 -22.462 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -5.328 -0.804 -25.553 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -5.754 -1.469 -24.980 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -4.855 -1.333 -26.220 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -5.148 2.181 -15.549 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -4.829 2.704 -16.305 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -6.119 2.344 -15.541 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 1.774 -2.835 -21.634 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 1.525 -2.315 -22.422 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 1.026 -2.707 -21.019 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -4.734 4.136 -17.588 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -4.675 3.690 -18.463 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -5.305 4.896 -17.753 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -9.212 5.940 -23.717 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -9.491 6.700 -23.199 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -8.505 5.522 -23.170 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -0.461 -2.984 -20.000 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -0.222 -3.358 -19.141 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -0.592 -3.770 -20.577 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 1.443 -0.400 -17.384 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 0.890 0.093 -16.728 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 1.092 -0.127 -18.239 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -6.306 1.556 -24.454 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -7.127 1.756 -24.963 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -5.916 0.782 -24.923 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -6.443 0.002 -22.142 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -6.308 0.742 -22.764 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -5.814 0.180 -21.415 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -4.227 5.517 -15.252 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -4.225 4.816 -15.937 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -4.489 6.324 -15.743 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -8.527 2.102 -25.976 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -9.001 2.955 -25.871 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -8.708 1.841 -26.883 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -11.690 9.185 -22.264 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -12.254 9.701 -22.870 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -12.227 9.091 -21.453 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 6.100 -0.723 -11.219 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 6.453 -1.471 -11.744 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 5.524 -0.240 -11.849 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -11.997 4.619 -16.457 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -11.492 5.392 -16.727 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -12.871 4.749 -16.870 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 1.029 -2.881 -16.170 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 0.453 -2.505 -15.477 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 1.251 -2.114 -16.736 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -1.288 -0.066 -22.740 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -1.858 -0.142 -23.511 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -0.452 -0.495 -23.016 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 2.743 -1.453 -14.031 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 1.773 -1.535 -14.047 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 3.054 -2.332 -13.719 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 2.445 -5.467 -21.487 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 2.177 -4.519 -21.545 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 3.316 -5.487 -21.896 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -4.121 -2.891 -27.206 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -4.783 -3.561 -27.467 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -3.903 -3.120 -26.271 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -0.168 0.686 -15.495 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -0.766 1.317 -15.035 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -0.172 -0.101 -14.923 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -4.901 -5.323 -23.030 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -5.547 -4.780 -22.517 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -5.453 -5.756 -23.719 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -10.372 -2.260 -31.659 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -10.237 -2.551 -30.753 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -9.759 -1.502 -31.762 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -10.344 3.346 -14.732 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -10.101 4.137 -14.197 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -10.987 3.694 -15.394 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -7.274 -1.916 -23.821 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -8.069 -1.524 -24.192 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -6.949 -1.239 -23.180 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -5.117 3.398 -22.898 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -4.233 3.439 -23.280 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -5.597 2.753 -23.474 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -3.597 3.746 -11.170 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -3.949 2.958 -11.629 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -3.017 4.166 -11.833 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -9.584 4.636 -29.752 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -9.229 5.209 -29.038 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -10.145 3.989 -29.279 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -7.020 5.659 -14.779 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -6.056 5.508 -14.734 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -7.103 6.544 -15.163 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.823 4.532 -25.968 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -9.707 4.968 -25.090 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -9.420 5.162 -26.598 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -2.116 -4.880 -27.754 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -2.249 -4.936 -28.730 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -2.600 -4.072 -27.496 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -3.487 -3.627 -24.716 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -2.551 -3.650 -24.431 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -3.959 -4.142 -24.033 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -1.898 2.109 -13.861 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -2.770 1.829 -13.526 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -1.874 3.068 -13.687 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -6.471 -6.441 -25.026 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -6.564 -7.382 -24.781 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -7.240 -6.269 -25.603 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 3.601 -3.899 -13.201 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 2.938 -4.365 -13.761 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 4.459 -4.263 -13.502 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 6.677 -4.797 -18.754 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 6.111 -5.565 -18.998 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 7.319 -4.745 -19.465 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -8.842 6.383 -27.811 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -9.685 6.892 -27.755 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -8.165 7.012 -27.535 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -7.259 4.945 -22.064 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -6.496 4.487 -22.472 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -7.269 4.620 -21.157 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -10.366 7.819 -14.189 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -11.195 8.038 -13.703 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -10.078 6.971 -13.800 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -13.956 3.922 -11.976 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -13.140 4.196 -11.514 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -13.640 3.459 -12.758 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -5.170 6.284 -31.353 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -5.845 5.629 -31.591 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -4.399 6.028 -31.862 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -2.333 4.856 -13.387 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -1.767 5.627 -13.482 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -3.087 5.035 -13.997 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 4.167 0.474 -12.775 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 3.620 -0.164 -13.284 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 4.483 1.110 -13.456 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -4.541 1.749 -12.925 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -5.346 1.367 -12.558 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -4.749 1.876 -13.882 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 0.346 -2.340 -11.524 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 0.349 -1.663 -10.818 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 1.047 -2.966 -11.252 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -7.746 5.256 -31.657 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -7.696 6.207 -31.503 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -8.380 4.935 -30.974 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 0.677 -1.626 -23.876 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 1.190 -1.591 -24.690 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 0.089 -2.414 -23.995 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 4.955 1.684 -15.138 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 5.056 2.333 -15.837 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 4.715 0.858 -15.609 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 4.003 -0.609 -16.344 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 3.219 -0.529 -16.923 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 3.645 -0.979 -15.512 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 7.982 -5.261 -13.361 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 8.571 -5.969 -13.711 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 7.122 -5.421 -13.809 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -0.787 -3.879 -24.085 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -0.690 -4.300 -23.202 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -0.527 -4.588 -24.719 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 4.399 -6.592 -11.869 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 3.521 -6.703 -11.470 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 4.233 -6.633 -12.825 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -8.948 4.489 -10.694 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -8.397 3.758 -10.328 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -8.567 5.299 -10.282 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -7.284 9.343 -17.021 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -8.090 9.535 -16.495 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -7.221 10.100 -17.642 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 3.675 -7.295 -15.127 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 3.066 -6.532 -15.033 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 3.288 -7.816 -15.870 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -9.342 5.382 -13.274 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -9.182 5.093 -12.348 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -8.442 5.496 -13.648 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -9.649 9.994 -15.684 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -9.941 10.774 -15.158 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -9.875 9.221 -15.111 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -5.297 7.488 -16.865 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -4.662 7.935 -17.433 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -6.087 8.081 -16.878 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 2.350 -6.778 -19.129 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 2.487 -6.362 -20.010 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 1.484 -6.434 -18.843 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 5.970 -3.485 -16.469 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 5.575 -2.665 -16.794 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 6.286 -3.941 -17.286 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -0.288 -5.825 -25.911 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -0.887 -5.446 -26.591 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -0.276 -6.776 -26.108 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -2.455 -8.608 -24.200 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -3.171 -8.867 -24.819 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -1.689 -8.453 -24.780 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -12.667 7.511 -25.225 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -12.312 7.307 -24.350 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -13.558 7.873 -25.043 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -9.410 -0.603 -8.274 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -9.605 -1.537 -8.066 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -10.218 -0.125 -8.004 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -7.824 -0.008 -4.052 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -8.749 0.285 -3.971 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -7.826 -0.586 -4.838 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 5.156 -4.896 -0.829 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 5.144 -4.938 -1.803 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 5.230 -3.942 -0.634 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -0.250 0.460 -2.602 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -0.733 -0.111 -1.971 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -0.847 0.532 -3.358 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -6.844 -3.117 -4.092 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -7.135 -2.617 -4.884 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -7.680 -3.294 -3.603 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 2.723 -3.151 -1.642 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 3.627 -2.829 -1.475 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 2.327 -2.467 -2.232 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -12.545 -3.690 -3.682 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -11.986 -2.944 -3.955 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -13.304 -3.660 -4.315 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -7.749 -1.662 -6.284 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -7.834 -0.945 -6.944 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -8.377 -2.348 -6.601 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 2.835 -1.428 0.788 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 2.177 -1.537 0.083 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 2.316 -1.512 1.614 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -5.971 -7.191 -0.848 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -6.686 -7.826 -0.637 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.315 -6.694 -1.625 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 5.359 -4.828 -3.679 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 6.216 -5.305 -3.669 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 4.809 -5.338 -4.308 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -6.603 -5.690 -3.013 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -6.448 -4.743 -3.196 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -6.572 -6.110 -3.900 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -9.995 7.890 -8.468 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -10.614 7.817 -9.217 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -10.452 8.480 -7.834 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 3.471 -6.342 0.774 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 2.675 -5.903 0.423 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 4.212 -5.922 0.277 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 0.840 -0.850 -9.231 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 1.756 -0.707 -9.563 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 0.969 -1.300 -8.363 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -0.289 -1.687 -14.050 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -0.093 -1.925 -13.109 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -1.249 -1.782 -14.122 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 3.315 -0.736 -10.373 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 4.220 -0.772 -10.018 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 3.397 -0.173 -11.170 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 2.665 -3.485 -10.585 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 3.098 -3.757 -11.421 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 2.994 -2.577 -10.431 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -5.970 0.453 -8.860 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -6.519 0.143 -9.610 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -5.053 0.241 -9.131 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -2.876 -3.647 2.543 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -3.011 -2.993 1.828 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -3.478 -4.364 2.319 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 0.925 -1.681 2.764 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 0.709 -0.854 3.208 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 0.442 -2.367 3.287 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 5.808 -1.143 -6.805 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 5.841 -0.312 -7.330 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 6.086 -1.838 -7.449 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -5.185 -0.915 -3.978 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -5.944 -0.312 -3.828 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -5.567 -1.807 -3.849 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -12.043 0.197 -7.755 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -11.922 0.499 -8.682 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -12.720 0.813 -7.392 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -0.854 -0.350 -6.089 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -1.264 0.299 -6.687 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -1.510 -0.462 -5.367 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 1.806 -1.191 -3.197 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 2.122 -0.942 -4.081 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 1.132 -0.510 -2.981 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -1.773 -1.429 -1.250 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -2.552 -1.610 -0.682 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -1.021 -1.833 -0.756 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -3.379 -0.377 -9.084 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -3.584 -0.342 -8.125 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -2.569 0.170 -9.170 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 1.353 -5.052 -0.429 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 0.751 -5.246 -1.185 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 2.003 -4.401 -0.807 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -4.217 -0.107 -6.530 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -4.994 0.342 -6.904 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -4.473 -0.296 -5.606 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -2.446 -0.899 -3.896 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -3.425 -0.852 -3.861 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -2.187 -1.146 -2.982 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 1.135 -2.041 -6.799 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 1.971 -1.926 -6.296 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 0.512 -1.400 -6.383 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -12.984 4.458 -8.074 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -13.067 5.375 -7.798 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -12.548 4.509 -8.950 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 0.089 -2.627 0.294 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 0.566 -3.469 0.189 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 0.329 -2.325 1.193 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -3.894 -2.114 0.387 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -4.343 -2.938 0.078 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -4.589 -1.448 0.372 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -0.683 -3.368 4.126 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -1.486 -3.421 3.555 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -0.755 -4.132 4.703 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -5.161 4.973 -9.281 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -5.565 5.656 -9.826 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -4.530 4.522 -9.888 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -10.433 -5.486 -6.099 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -11.392 -5.512 -6.320 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -10.408 -5.628 -5.132 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -7.711 3.034 -15.499 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -8.656 2.903 -15.286 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -7.549 3.974 -15.294 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -7.054 2.967 -9.406 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -6.679 2.121 -9.092 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -6.354 3.624 -9.211 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -1.105 1.017 -8.671 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -0.797 1.867 -9.001 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -0.363 0.401 -8.856 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -4.873 -4.536 -0.301 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -5.348 -5.380 -0.399 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -3.927 -4.792 -0.302 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -2.243 -5.232 -0.068 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -1.560 -5.363 0.616 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -2.501 -6.144 -0.326 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -2.548 -7.631 1.978 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -2.901 -7.654 1.061 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -1.742 -7.075 1.911 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -7.797 6.567 -9.351 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -8.550 7.148 -9.091 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -7.336 6.398 -8.524 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 6.068 0.658 -8.866 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 6.235 1.557 -9.156 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 6.237 0.110 -9.665 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -13.642 4.133 -0.688 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -14.037 3.993 0.179 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -14.201 3.601 -1.296 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 6.757 -2.884 -12.887 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 6.541 -2.611 -13.790 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 7.388 -3.629 -13.008 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 3.477 -1.575 -5.383 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 3.833 -2.023 -4.605 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 4.270 -1.363 -5.923 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 5.072 -2.145 -0.533 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 5.737 -1.495 -0.294 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 4.289 -1.905 0.023 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 6.886 -6.838 4.958 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 6.246 -6.120 4.880 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 6.757 -7.176 5.875 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 5.127 -8.771 -5.594 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 4.293 -9.244 -5.829 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 4.856 -7.832 -5.542 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -11.013 -5.977 -3.412 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -11.596 -6.707 -3.720 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -11.611 -5.197 -3.370 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -10.802 0.254 -3.901 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -11.198 -0.348 -4.570 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -11.019 -0.154 -3.059 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 8.766 -6.388 2.971 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 8.077 -6.602 3.633 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 9.497 -6.048 3.493 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 6.072 -4.622 -10.740 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 5.473 -5.330 -11.063 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 6.187 -4.036 -11.514 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -9.568 -3.293 -7.517 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -9.804 -3.632 -8.407 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -9.889 -3.991 -6.906 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -10.078 -7.228 -1.080 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -10.255 -6.800 -1.938 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -10.917 -7.163 -0.608 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 3.874 -8.908 1.442 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 3.745 -7.938 1.299 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 4.458 -9.174 0.715 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -8.747 -7.111 -7.478 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -9.060 -7.970 -7.183 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -9.311 -6.469 -6.990 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -11.673 9.529 -6.936 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -11.813 10.489 -6.790 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -12.288 9.308 -7.670 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -11.693 4.689 -10.513 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -10.729 4.526 -10.620 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -11.776 5.670 -10.578 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 1.344 -8.416 2.545 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 1.642 -8.296 3.454 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 2.157 -8.682 2.061 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -11.961 12.619 -31.465 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -11.285 12.110 -31.005 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -12.175 12.070 -32.258 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -11.425 14.588 -19.576 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -12.231 14.725 -20.124 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -10.718 15.074 -20.066 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -14.041 15.077 -15.631 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -13.227 14.769 -16.105 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -14.665 15.315 -16.361 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -11.793 14.339 -16.869 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -11.199 13.607 -16.662 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -11.655 14.498 -17.830 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -9.377 15.608 -21.013 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -8.964 16.335 -21.483 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -8.897 14.810 -21.332 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -7.368 11.645 -18.550 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -7.163 12.429 -18.035 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -8.232 11.850 -18.966 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -8.131 13.347 -21.953 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -7.529 12.771 -21.471 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -8.875 12.761 -22.203 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -15.985 16.811 -25.955 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -16.166 15.925 -25.613 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -15.108 16.731 -26.374 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -11.069 10.476 -17.918 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -11.454 9.628 -18.163 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -10.575 10.287 -17.088 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -12.337 13.157 -23.279 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -11.443 12.956 -22.941 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -12.706 12.280 -23.499 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -10.771 12.095 -14.294 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -10.822 11.582 -13.454 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -11.260 12.914 -14.097 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -9.897 12.288 -19.456 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -10.379 11.666 -18.857 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -10.440 13.107 -19.441 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -15.801 18.180 -16.170 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -15.960 19.115 -16.417 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -14.964 18.204 -15.663 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -13.135 12.070 -26.668 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -12.522 11.327 -26.832 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -13.031 12.643 -27.462 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -10.278 11.641 -22.102 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -10.575 10.714 -22.192 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -10.178 11.768 -21.133 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -13.038 10.691 -24.236 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -13.153 11.248 -25.036 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -13.752 10.023 -24.308 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -10.345 11.598 -28.646 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -9.388 11.530 -28.585 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -10.674 10.973 -27.965 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -11.356 10.772 -12.003 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -11.781 9.945 -12.318 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -11.877 11.022 -11.221 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -11.906 7.426 -10.593 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -12.486 7.928 -9.981 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -12.139 7.782 -11.486 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -15.706 8.890 -11.010 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -15.297 9.234 -11.846 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -15.459 7.963 -10.993 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -13.661 15.160 -11.044 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -13.086 14.815 -11.755 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -14.235 15.815 -11.500 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 9.432 -9.778 -12.829 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 10.391 -9.690 -12.612 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 9.097 -10.412 -12.167 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 6.414 -10.396 -16.604 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 5.709 -10.234 -15.935 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 7.222 -10.558 -16.064 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 8.395 -11.185 -14.965 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 8.582 -12.070 -14.591 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 8.766 -10.567 -14.305 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 6.794 -10.398 -10.193 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 7.465 -9.898 -9.699 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 7.308 -11.104 -10.635 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 9.592 -6.006 -11.275 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 10.066 -6.615 -11.855 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 8.972 -5.544 -11.874 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 8.520 -13.532 -13.493 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 8.913 -14.339 -13.081 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 7.636 -13.816 -13.772 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 4.735 -16.224 -11.505 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 4.556 -15.290 -11.321 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 4.337 -16.370 -12.398 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 8.849 -12.024 -11.272 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 9.813 -12.049 -11.080 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 8.760 -12.534 -12.113 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 10.983 -13.831 0.111 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 11.664 -13.200 -0.188 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 10.723 -13.503 0.997 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 9.960 -14.396 -3.958 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 9.531 -14.541 -3.090 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 9.375 -14.864 -4.598 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 7.130 -15.677 -8.379 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 7.379 -16.343 -9.047 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 6.950 -14.875 -8.904 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 11.497 -18.072 -3.270 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 11.407 -17.470 -2.506 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 11.965 -17.549 -3.930 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 9.614 -19.963 -3.701 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 10.307 -19.294 -3.477 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 10.090 -20.634 -4.202 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 13.619 -15.852 -2.557 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 14.308 -16.478 -2.303 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 12.864 -16.069 -1.963 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 13.095 -13.176 -1.946 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 13.353 -14.102 -2.116 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 13.770 -12.650 -2.432 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 10.816 -15.265 -7.181 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 9.971 -15.484 -6.740 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 11.484 -15.350 -6.475 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 8.814 -14.314 -1.448 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 8.664 -15.244 -1.166 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 9.543 -14.005 -0.861 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 10.007 -9.863 0.118 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 9.518 -9.053 0.376 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 9.442 -10.593 0.436 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 13.433 -13.139 -6.808 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 13.301 -12.268 -6.384 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 13.184 -13.783 -6.116 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 11.365 -16.279 -1.105 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 11.346 -15.411 -0.642 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 10.496 -16.681 -0.886 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 9.967 -13.358 2.766 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 9.293 -13.003 3.395 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 10.498 -13.954 3.303 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 9.928 -9.646 -4.053 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 10.109 -9.083 -3.266 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 10.284 -10.527 -3.801 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 11.821 -15.875 -10.661 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 11.859 -15.038 -10.147 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 12.217 -16.528 -10.073 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 12.460 -14.991 -4.917 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 11.604 -14.746 -4.504 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 13.032 -15.230 -4.158 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 11.840 -8.330 -5.567 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 11.509 -7.637 -6.181 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 11.035 -8.637 -5.100 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 6.608 -12.691 -0.861 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 7.157 -13.476 -1.040 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 7.143 -12.166 -0.227 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 12.057 -9.607 -12.191 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 12.979 -9.355 -12.094 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 12.022 -10.532 -11.857 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 11.640 -12.155 -11.287 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 11.975 -12.797 -11.960 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 11.791 -12.611 -10.428 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 14.747 -12.121 -3.842 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 14.206 -11.576 -4.449 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 15.409 -12.522 -4.413 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 12.911 -10.838 -5.406 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 12.643 -9.909 -5.586 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 12.248 -11.156 -4.752 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 9.349 -15.653 -11.994 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 10.180 -15.861 -11.523 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 8.661 -16.137 -11.493 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 6.369 -7.999 7.356 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 6.215 -7.768 8.277 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 6.295 -8.978 7.337 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 12.401 -14.243 -12.844 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 12.131 -14.667 -13.663 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 12.289 -14.937 -12.165 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 11.940 -13.661 -9.024 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 11.364 -14.216 -8.447 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 12.663 -13.370 -8.420 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 10.238 -6.676 -7.082 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 9.903 -6.088 -7.773 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 9.434 -7.010 -6.639 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 7.381 -20.644 -2.275 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 7.260 -21.590 -2.391 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 8.220 -20.448 -2.747 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 8.353 -11.852 1.076 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 7.643 -11.488 1.653 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 8.895 -12.399 1.680 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 6.676 -9.346 -0.227 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 6.631 -9.817 0.627 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 7.280 -8.591 -0.051 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 6.264 -10.046 -2.791 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 5.372 -9.676 -2.977 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 6.447 -9.763 -1.861 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 8.314 -11.947 -3.016 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 8.604 -12.649 -2.406 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 7.713 -11.394 -2.475 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 11.249 -12.003 -3.612 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 10.679 -12.784 -3.780 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 11.850 -12.298 -2.893 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 9.680 -7.308 -13.916 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 10.423 -7.527 -14.488 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 9.401 -8.173 -13.542 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 8.148 -5.415 -9.083 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 8.825 -5.667 -9.752 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 7.352 -5.208 -9.621 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 18.747 0.585 -6.575 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 18.363 -0.214 -6.937 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 19.684 0.503 -6.754 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 8.024 -5.552 -3.765 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 8.494 -5.634 -2.904 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 8.222 -4.648 -4.061 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 7.006 -3.117 -5.212 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 6.676 -2.303 -5.646 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 6.268 -3.401 -4.641 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 13.260 -8.485 -3.188 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 12.902 -8.260 -4.071 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 14.118 -8.877 -3.373 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 10.887 -8.321 -1.904 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 10.769 -8.951 -1.152 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 11.839 -8.410 -2.149 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 9.621 -5.973 -1.586 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 9.993 -6.874 -1.756 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 10.390 -5.440 -1.368 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 4.274 -6.135 -5.895 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 5.133 -5.858 -6.291 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 3.623 -5.938 -6.584 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 8.581 -7.526 0.495 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 8.580 -7.059 1.362 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 8.750 -6.818 -0.158 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 8.079 -7.580 -5.619 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 8.185 -7.094 -4.772 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 7.457 -7.019 -6.132 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 6.776 -5.471 -6.738 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 7.272 -5.422 -7.587 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 6.971 -4.616 -6.297 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 6.686 -2.927 -8.638 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 7.615 -3.185 -8.701 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 6.252 -3.419 -9.364 1.00 0.00 WAT1 END