REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -859.856, 79.1854, 103.636, 39.5491, 560.902, -597.616, -1049.52, 3.93401, 7.867833E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.293848E-03,0.433549,1.02682,42.2796,4.675016E-03,9.278752E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 51, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.891 -16.354 -4.998 1.00 65.23 ATOM 2 CB MET 1 6.964 -15.599 -3.214 1.00 43.34 ATOM 3 HB1 MET 1 7.263 -14.578 -3.408 1.00 37.60 ATOM 4 HB2 MET 1 7.022 -15.784 -2.150 1.00 64.33 ATOM 5 CG MET 1 5.513 -15.762 -3.647 1.00 43.22 ATOM 6 HG1 MET 1 5.227 -16.797 -3.524 1.00 37.60 ATOM 7 HG2 MET 1 5.428 -15.490 -4.689 1.00 44.20 ATOM 8 SD MET 1 4.381 -14.733 -2.693 1.00 62.24 ATOM 9 CE MET 1 2.808 -15.233 -3.397 1.00 50.42 ATOM 10 HE1 MET 1 2.663 -16.292 -3.239 1.00 2.52 ATOM 11 HE2 MET 1 2.804 -15.023 -4.456 1.00 22.23 ATOM 12 HE3 MET 1 2.008 -14.685 -2.920 1.00 23.42 ATOM 13 C MET 1 9.366 -16.305 -3.446 1.00 40.41 ATOM 14 O MET 1 9.847 -16.998 -2.551 1.00 42.11 ATOM 15 N MET 1 7.522 -17.961 -3.707 1.00 75.15 ATOM 16 HT1 MET 1 7.529 -18.177 -2.688 1.00 37.60 ATOM 17 HT2 MET 1 8.180 -18.608 -4.190 1.00 37.60 ATOM 18 HT3 MET 1 6.565 -18.124 -4.076 1.00 37.60 ATOM 19 CA MET 1 7.931 -16.548 -3.935 1.00 51.21 ATOM 20 N GLY 2 10.040 -15.319 -4.038 1.00 25.43 ATOM 21 HN GLY 2 9.592 -14.779 -4.725 1.00 37.60 ATOM 22 CA GLY 2 11.425 -15.020 -3.676 1.00 63.24 ATOM 23 HA1 GLY 2 11.772 -15.756 -2.965 1.00 37.60 ATOM 24 HA2 GLY 2 11.459 -14.046 -3.210 1.00 71.14 ATOM 25 C GLY 2 12.363 -15.018 -4.878 1.00 41.43 ATOM 26 O GLY 2 13.099 -15.982 -5.102 1.00 2.11 ATOM 27 N HIS 3 12.324 -13.939 -5.664 1.00 12.32 ATOM 28 HN HIS 3 11.703 -13.213 -5.438 1.00 37.60 ATOM 29 CA HIS 3 13.178 -13.805 -6.853 1.00 64.33 ATOM 30 HA HIS 3 13.397 -14.800 -7.215 1.00 74.32 ATOM 31 CB HIS 3 12.441 -13.030 -7.957 1.00 54.13 ATOM 32 HB1 HIS 3 13.103 -12.905 -8.802 1.00 37.60 ATOM 33 HB2 HIS 3 12.162 -12.056 -7.580 1.00 71.41 ATOM 34 CG HIS 3 11.192 -13.703 -8.447 1.00 25.24 ATOM 35 ND1 HIS 3 10.230 -13.050 -9.185 1.00 33.33 ATOM 36 HD1 HIS 3 10.250 -12.105 -9.447 1.00 33.20 ATOM 37 CD2 HIS 3 10.755 -14.979 -8.316 1.00 22.11 ATOM 38 HD2 HIS 3 11.260 -15.780 -7.793 1.00 63.42 ATOM 39 CE1 HIS 3 9.261 -13.889 -9.487 1.00 50.11 ATOM 40 HE1 HIS 3 8.375 -13.651 -10.056 1.00 31.33 ATOM 41 NE2 HIS 3 9.553 -15.065 -8.973 1.00 74.35 ATOM 42 HE2 HIS 3 8.921 -15.812 -8.899 1.00 37.60 ATOM 43 C HIS 3 14.509 -13.106 -6.516 1.00 32.14 ATOM 44 O HIS 3 15.578 -13.712 -6.598 1.00 41.42 ATOM 45 N HIS 4 14.441 -11.823 -6.151 1.00 64.34 ATOM 46 HN HIS 4 13.569 -11.370 -6.154 1.00 37.60 ATOM 47 CA HIS 4 15.635 -11.073 -5.739 1.00 1.24 ATOM 48 HA HIS 4 16.484 -11.500 -6.257 1.00 73.01 ATOM 49 CB HIS 4 15.514 -9.594 -6.131 1.00 44.50 ATOM 50 HB1 HIS 4 16.299 -9.032 -5.645 1.00 37.60 ATOM 51 HB2 HIS 4 14.555 -9.217 -5.806 1.00 22.00 ATOM 52 CG HIS 4 15.628 -9.359 -7.605 1.00 64.21 ATOM 53 ND1 HIS 4 14.635 -8.774 -8.359 1.00 62.42 ATOM 54 HD1 HIS 4 13.770 -8.455 -8.022 1.00 45.15 ATOM 55 CD2 HIS 4 16.640 -9.623 -8.467 1.00 23.43 ATOM 56 HD2 HIS 4 17.590 -10.074 -8.222 1.00 10.11 ATOM 57 CE1 HIS 4 15.028 -8.690 -9.612 1.00 2.54 ATOM 58 HE1 HIS 4 14.456 -8.267 -10.424 1.00 73.33 ATOM 59 NE2 HIS 4 16.238 -9.196 -9.705 1.00 72.05 ATOM 60 HE2 HIS 4 16.702 -9.390 -10.550 1.00 37.60 ATOM 61 C HIS 4 15.876 -11.205 -4.230 1.00 42.20 ATOM 62 O HIS 4 17.014 -11.122 -3.761 1.00 62.22 ATOM 63 N HIS 5 14.799 -11.405 -3.475 1.00 45.13 ATOM 64 HN HIS 5 13.913 -11.393 -3.897 1.00 37.60 ATOM 65 CA HIS 5 14.898 -11.657 -2.035 1.00 51.33 ATOM 66 HA HIS 5 15.882 -11.349 -1.707 1.00 21.33 ATOM 67 CB HIS 5 13.842 -10.848 -1.270 1.00 4.22 ATOM 68 HB1 HIS 5 13.899 -11.096 -0.220 1.00 37.60 ATOM 69 HB2 HIS 5 12.860 -11.105 -1.642 1.00 3.54 ATOM 70 CG HIS 5 14.012 -9.366 -1.404 1.00 3.43 ATOM 71 ND1 HIS 5 13.077 -8.546 -1.998 1.00 65.51 ATOM 72 HD1 HIS 5 12.218 -8.835 -2.381 1.00 43.44 ATOM 73 CD2 HIS 5 15.018 -8.553 -1.008 1.00 43.32 ATOM 74 HD2 HIS 5 15.928 -8.856 -0.507 1.00 3.23 ATOM 75 CE1 HIS 5 13.500 -7.299 -1.964 1.00 42.51 ATOM 76 HE1 HIS 5 12.976 -6.443 -2.362 1.00 71.44 ATOM 77 NE2 HIS 5 14.673 -7.275 -1.369 1.00 53.00 ATOM 78 HE2 HIS 5 15.133 -6.460 -1.070 1.00 37.60 ATOM 79 C HIS 5 14.726 -13.152 -1.740 1.00 43.34 ATOM 80 O HIS 5 13.627 -13.689 -1.856 1.00 63.31 ATOM 81 N HIS 6 15.820 -13.825 -1.384 1.00 50.14 ATOM 82 HN HIS 6 16.678 -13.352 -1.338 1.00 37.60 ATOM 83 CA HIS 6 15.769 -15.256 -1.065 1.00 63.32 ATOM 84 HA HIS 6 15.352 -15.758 -1.928 1.00 70.23 ATOM 85 CB HIS 6 17.184 -15.813 -0.816 1.00 30.21 ATOM 86 HB1 HIS 6 17.690 -15.905 -1.767 1.00 37.60 ATOM 87 HB2 HIS 6 17.103 -16.793 -0.370 1.00 63.11 ATOM 88 CG HIS 6 18.055 -14.977 0.086 1.00 52.14 ATOM 89 ND1 HIS 6 17.596 -14.322 1.211 1.00 14.23 ATOM 90 HD1 HIS 6 16.676 -14.330 1.546 1.00 64.52 ATOM 91 CD2 HIS 6 19.378 -14.693 0.012 1.00 43.32 ATOM 92 HD2 HIS 6 20.067 -15.041 -0.745 1.00 3.13 ATOM 93 CE1 HIS 6 18.592 -13.677 1.782 1.00 11.14 ATOM 94 HE1 HIS 6 18.524 -13.079 2.678 1.00 0.32 ATOM 95 NE2 HIS 6 19.685 -13.885 1.079 1.00 14.54 ATOM 96 HE2 HIS 6 20.595 -13.705 1.402 1.00 37.60 ATOM 97 C HIS 6 14.852 -15.534 0.139 1.00 21.40 ATOM 98 O HIS 6 15.043 -14.973 1.219 1.00 23.44 ATOM 99 N HIS 7 13.852 -16.392 -0.058 1.00 21.44 ATOM 100 HN HIS 7 13.746 -16.809 -0.941 1.00 37.60 ATOM 101 CA HIS 7 12.907 -16.733 1.010 1.00 62.34 ATOM 102 HA HIS 7 12.447 -15.814 1.346 1.00 11.33 ATOM 103 CB HIS 7 11.814 -17.671 0.473 1.00 40.15 ATOM 104 HB1 HIS 7 12.261 -18.617 0.199 1.00 37.60 ATOM 105 HB2 HIS 7 11.368 -17.226 -0.405 1.00 31.34 ATOM 106 CG HIS 7 10.713 -17.945 1.450 1.00 52.52 ATOM 107 ND1 HIS 7 9.548 -17.213 1.484 1.00 61.32 ATOM 108 HD1 HIS 7 9.325 -16.462 0.892 1.00 5.31 ATOM 109 CD2 HIS 7 10.595 -18.878 2.427 1.00 14.45 ATOM 110 HD2 HIS 7 11.326 -19.631 2.687 1.00 53.41 ATOM 111 CE1 HIS 7 8.765 -17.677 2.434 1.00 62.23 ATOM 112 HE1 HIS 7 7.789 -17.295 2.689 1.00 62.22 ATOM 113 NE2 HIS 7 9.374 -18.686 3.021 1.00 31.23 ATOM 114 HE2 HIS 7 9.059 -19.140 3.833 1.00 37.60 ATOM 115 C HIS 7 13.643 -17.382 2.195 1.00 71.22 ATOM 116 O HIS 7 13.976 -18.568 2.161 1.00 54.15 ATOM 117 N HIS 8 13.909 -16.592 3.230 1.00 32.13 ATOM 118 HN HIS 8 13.559 -15.673 3.226 1.00 37.60 ATOM 119 CA HIS 8 14.702 -17.047 4.377 1.00 10.31 ATOM 120 HA HIS 8 14.898 -18.104 4.248 1.00 43.12 ATOM 121 CB HIS 8 16.045 -16.297 4.413 1.00 52.51 ATOM 122 HB1 HIS 8 15.854 -15.234 4.364 1.00 37.60 ATOM 123 HB2 HIS 8 16.635 -16.588 3.556 1.00 73.04 ATOM 124 CG HIS 8 16.863 -16.565 5.644 1.00 22.51 ATOM 125 ND1 HIS 8 17.248 -17.828 6.034 1.00 14.02 ATOM 126 HD1 HIS 8 17.044 -18.663 5.562 1.00 70.02 ATOM 127 CD2 HIS 8 17.352 -15.721 6.586 1.00 73.50 ATOM 128 HD2 HIS 8 17.240 -14.646 6.605 1.00 41.22 ATOM 129 CE1 HIS 8 17.933 -17.752 7.157 1.00 43.24 ATOM 130 HE1 HIS 8 18.355 -18.587 7.696 1.00 14.43 ATOM 131 NE2 HIS 8 18.013 -16.487 7.514 1.00 23.00 ATOM 132 HE2 HIS 8 18.635 -16.139 8.190 1.00 37.60 ATOM 133 C HIS 8 13.953 -16.846 5.700 1.00 50.14 ATOM 134 O HIS 8 13.263 -15.845 5.892 1.00 53.53 ATOM 135 N SER 9 14.105 -17.804 6.611 1.00 11.34 ATOM 136 HN SER 9 14.625 -18.603 6.379 1.00 37.60 ATOM 137 CA SER 9 13.510 -17.710 7.947 1.00 44.25 ATOM 138 HA SER 9 12.440 -17.605 7.822 1.00 33.34 ATOM 139 CB SER 9 13.790 -18.993 8.748 1.00 51.43 ATOM 140 HB1 SER 9 13.275 -19.823 8.283 1.00 37.60 ATOM 141 HB2 SER 9 13.431 -18.871 9.760 1.00 25.24 ATOM 142 OG SER 9 15.179 -19.289 8.790 1.00 21.52 ATOM 143 HG SER 9 15.300 -20.215 9.025 1.00 25.02 ATOM 144 C SER 9 14.037 -16.485 8.705 1.00 71.15 ATOM 145 O SER 9 15.178 -16.462 9.173 1.00 61.43 ATOM 146 N HIS 10 13.202 -15.451 8.800 1.00 40.43 ATOM 147 HN HIS 10 12.318 -15.515 8.375 1.00 37.60 ATOM 148 CA HIS 10 13.573 -14.217 9.504 1.00 42.53 ATOM 149 HA HIS 10 14.466 -13.827 9.032 1.00 21.13 ATOM 150 CB HIS 10 12.452 -13.180 9.372 1.00 22.53 ATOM 151 HB1 HIS 10 12.711 -12.299 9.941 1.00 37.60 ATOM 152 HB2 HIS 10 11.534 -13.598 9.763 1.00 65.32 ATOM 153 CG HIS 10 12.202 -12.758 7.952 1.00 44.23 ATOM 154 ND1 HIS 10 13.106 -12.014 7.222 1.00 21.43 ATOM 155 HD1 HIS 10 13.979 -11.694 7.543 1.00 52.14 ATOM 156 CD2 HIS 10 11.153 -12.982 7.122 1.00 11.12 ATOM 157 HD2 HIS 10 10.257 -13.539 7.356 1.00 54.21 ATOM 158 CE1 HIS 10 12.627 -11.798 6.013 1.00 23.41 ATOM 159 HE1 HIS 10 13.121 -11.245 5.227 1.00 44.43 ATOM 160 NE2 HIS 10 11.447 -12.373 5.925 1.00 22.33 ATOM 161 HE2 HIS 10 10.823 -12.258 5.175 1.00 37.60 ATOM 162 C HIS 10 13.884 -14.493 10.985 1.00 22.14 ATOM 163 O HIS 10 14.792 -13.899 11.568 1.00 21.40 ATOM 164 N MET 11 13.121 -15.404 11.582 1.00 33.34 ATOM 165 HN MET 11 12.373 -15.789 11.084 1.00 37.60 ATOM 166 CA MET 11 13.363 -15.857 12.957 1.00 71.32 ATOM 167 HA MET 11 14.336 -15.495 13.263 1.00 71.23 ATOM 168 CB MET 11 12.296 -15.290 13.910 1.00 15.43 ATOM 169 HB1 MET 11 12.465 -15.688 14.902 1.00 37.60 ATOM 170 HB2 MET 11 11.321 -15.607 13.570 1.00 70.45 ATOM 171 CG MET 11 12.294 -13.768 14.003 1.00 51.14 ATOM 172 HG1 MET 11 12.090 -13.360 13.022 1.00 37.60 ATOM 173 HG2 MET 11 13.270 -13.440 14.330 1.00 43.52 ATOM 174 SD MET 11 11.061 -13.136 15.161 1.00 1.04 ATOM 175 CE MET 11 9.542 -13.715 14.402 1.00 45.41 ATOM 176 HE1 MET 11 9.460 -13.308 13.405 1.00 25.02 ATOM 177 HE2 MET 11 8.697 -13.391 14.993 1.00 53.21 ATOM 178 HE3 MET 11 9.552 -14.793 14.353 1.00 5.12 ATOM 179 C MET 11 13.364 -17.390 13.021 1.00 52.14 ATOM 180 O MET 11 12.454 -18.040 12.504 1.00 62.21 ATOM 181 N ASN 12 14.389 -17.965 13.644 1.00 61.43 ATOM 182 HN ASN 12 15.081 -17.398 14.045 1.00 37.60 ATOM 183 CA ASN 12 14.504 -19.423 13.753 1.00 3.12 ATOM 184 HA ASN 12 14.298 -19.838 12.776 1.00 42.42 ATOM 185 CB ASN 12 15.932 -19.821 14.167 1.00 44.12 ATOM 186 HB1 ASN 12 16.165 -19.362 15.117 1.00 37.60 ATOM 187 HB2 ASN 12 16.629 -19.466 13.422 1.00 63.11 ATOM 188 CG ASN 12 16.106 -21.327 14.304 1.00 45.05 ATOM 189 OD1 ASN 12 15.400 -22.109 13.679 1.00 64.40 ATOM 190 ND2 ASN 12 17.054 -21.748 15.113 1.00 14.11 ATOM 191 HD21 ASN 12 17.597 -21.082 15.582 1.00 30.11 ATOM 192 HD22 ASN 12 17.185 -22.714 15.202 1.00 15.21 ATOM 193 C ASN 12 13.478 -19.989 14.750 1.00 71.40 ATOM 194 O ASN 12 13.230 -19.403 15.807 1.00 73.33 ATOM 195 N SER 13 12.904 -21.145 14.411 1.00 51.14 ATOM 196 HN SER 13 13.178 -21.579 13.574 1.00 37.60 ATOM 197 CA SER 13 11.874 -21.792 15.242 1.00 43.25 ATOM 198 HA SER 13 11.011 -21.141 15.254 1.00 53.00 ATOM 199 CB SER 13 11.463 -23.140 14.631 1.00 24.23 ATOM 200 HB1 SER 13 10.730 -23.616 15.268 1.00 37.60 ATOM 201 HB2 SER 13 12.332 -23.777 14.548 1.00 70.14 ATOM 202 OG SER 13 10.900 -22.971 13.338 1.00 24.22 ATOM 203 HG SER 13 10.887 -23.823 12.879 1.00 65.25 ATOM 204 C SER 13 12.342 -22.002 16.690 1.00 72.12 ATOM 205 O SER 13 11.528 -22.149 17.599 1.00 64.25 ATOM 206 N ALA 14 13.653 -22.021 16.901 1.00 23.32 ATOM 207 HN ALA 14 14.259 -21.952 16.135 1.00 37.60 ATOM 208 CA ALA 14 14.213 -22.156 18.250 1.00 74.52 ATOM 209 HA ALA 14 13.636 -22.906 18.774 1.00 63.32 ATOM 210 CB ALA 14 15.651 -22.643 18.171 1.00 23.55 ATOM 211 HB1 ALA 14 16.250 -21.917 17.640 1.00 45.44 ATOM 212 HB2 ALA 14 15.685 -23.588 17.647 1.00 32.31 ATOM 213 HB3 ALA 14 16.046 -22.772 19.169 1.00 53.54 ATOM 214 C ALA 14 14.141 -20.836 19.036 1.00 12.31 ATOM 215 O ALA 14 13.841 -20.833 20.230 1.00 40.22 ATOM 216 N GLU 15 14.400 -19.718 18.355 1.00 22.11 ATOM 217 HN GLU 15 14.572 -19.779 17.393 1.00 37.60 ATOM 218 CA GLU 15 14.423 -18.397 19.000 1.00 15.05 ATOM 219 HA GLU 15 15.160 -18.434 19.792 1.00 31.24 ATOM 220 CB GLU 15 14.835 -17.313 17.990 1.00 41.21 ATOM 221 HB1 GLU 15 14.894 -16.363 18.502 1.00 37.60 ATOM 222 HB2 GLU 15 14.079 -17.248 17.220 1.00 3.25 ATOM 223 CG GLU 15 16.182 -17.578 17.318 1.00 62.21 ATOM 224 HG1 GLU 15 16.103 -18.484 16.732 1.00 37.60 ATOM 225 HG2 GLU 15 16.931 -17.716 18.085 1.00 1.53 ATOM 226 CD GLU 15 16.625 -16.445 16.401 1.00 24.22 ATOM 227 OE1 GLU 15 16.047 -16.299 15.301 1.00 74.14 ATOM 228 OE2 GLU 15 17.565 -15.711 16.765 1.00 43.30 ATOM 229 C GLU 15 13.060 -18.050 19.619 1.00 53.04 ATOM 230 O GLU 15 12.984 -17.542 20.741 1.00 70.42 ATOM 231 N GLN 16 11.985 -18.329 18.881 1.00 41.11 ATOM 232 HN GLN 16 12.106 -18.668 17.969 1.00 37.60 ATOM 233 CA GLN 16 10.626 -18.124 19.395 1.00 2.21 ATOM 234 HA GLN 16 10.559 -17.102 19.746 1.00 40.25 ATOM 235 CB GLN 16 9.586 -18.336 18.282 1.00 73.12 ATOM 236 HB1 GLN 16 9.765 -17.613 17.497 1.00 37.60 ATOM 237 HB2 GLN 16 8.599 -18.170 18.691 1.00 1.25 ATOM 238 CG GLN 16 9.622 -19.733 17.664 1.00 12.24 ATOM 239 HG1 GLN 16 9.616 -20.463 18.463 1.00 37.60 ATOM 240 HG2 GLN 16 10.534 -19.837 17.097 1.00 21.02 ATOM 241 CD GLN 16 8.450 -20.017 16.740 1.00 24.41 ATOM 242 OE1 GLN 16 7.905 -19.122 16.100 1.00 44.20 ATOM 243 NE2 GLN 16 8.050 -21.271 16.665 1.00 73.33 ATOM 244 HE21 GLN 16 8.521 -21.938 17.203 1.00 15.21 ATOM 245 HE22 GLN 16 7.292 -21.479 16.083 1.00 12.33 ATOM 246 C GLN 16 10.328 -19.069 20.574 1.00 44.14 ATOM 247 O GLN 16 9.729 -18.663 21.568 1.00 3.24 ATOM 248 N THR 17 10.772 -20.324 20.459 1.00 42.15 ATOM 249 HN THR 17 11.281 -20.574 19.663 1.00 37.60 ATOM 250 CA THR 17 10.513 -21.342 21.488 1.00 21.23 ATOM 251 HA THR 17 9.440 -21.399 21.627 1.00 62.40 ATOM 252 CB THR 17 11.011 -22.742 21.048 1.00 51.55 ATOM 253 HB THR 17 12.081 -22.696 20.891 1.00 51.32 ATOM 254 OG1 THR 17 10.378 -23.120 19.817 1.00 3.15 ATOM 255 HG1 THR 17 11.037 -23.171 19.119 1.00 51.01 ATOM 256 CG2 THR 17 10.717 -23.800 22.109 1.00 41.24 ATOM 257 HG21 THR 17 11.223 -23.541 23.029 1.00 62.32 ATOM 258 HG22 THR 17 11.069 -24.764 21.767 1.00 12.44 ATOM 259 HG23 THR 17 9.653 -23.850 22.286 1.00 22.41 ATOM 260 C THR 17 11.160 -20.974 22.831 1.00 23.44 ATOM 261 O THR 17 10.550 -21.145 23.884 1.00 54.45 ATOM 262 N VAL 18 12.393 -20.462 22.793 1.00 54.12 ATOM 263 HN VAL 18 12.860 -20.401 21.932 1.00 37.60 ATOM 264 CA VAL 18 13.063 -19.994 24.014 1.00 64.31 ATOM 265 HA VAL 18 13.209 -20.849 24.661 1.00 2.54 ATOM 266 CB VAL 18 14.449 -19.365 23.710 1.00 15.11 ATOM 267 HB VAL 18 14.296 -18.506 23.068 1.00 54.23 ATOM 268 CG1 VAL 18 15.119 -18.879 24.996 1.00 52.44 ATOM 269 HG11 VAL 18 16.097 -18.482 24.766 1.00 4.50 ATOM 270 HG12 VAL 18 15.220 -19.704 25.688 1.00 50.42 ATOM 271 HG13 VAL 18 14.515 -18.105 25.448 1.00 50.02 ATOM 272 CG2 VAL 18 15.351 -20.354 22.971 1.00 65.21 ATOM 273 HG21 VAL 18 16.298 -19.883 22.748 1.00 12.32 ATOM 274 HG22 VAL 18 14.877 -20.657 22.049 1.00 71.43 ATOM 275 HG23 VAL 18 15.520 -21.224 23.590 1.00 44.30 ATOM 276 C VAL 18 12.191 -18.958 24.744 1.00 33.02 ATOM 277 O VAL 18 11.837 -19.136 25.911 1.00 54.10 ATOM 278 N THR 19 11.828 -17.892 24.031 1.00 25.43 ATOM 279 HN THR 19 12.155 -17.807 23.111 1.00 37.60 ATOM 280 CA THR 19 10.962 -16.835 24.579 1.00 15.11 ATOM 281 HA THR 19 11.459 -16.412 25.443 1.00 23.31 ATOM 282 CB THR 19 10.737 -15.704 23.542 1.00 74.32 ATOM 283 HB THR 19 10.163 -16.102 22.715 1.00 2.53 ATOM 284 OG1 THR 19 12.000 -15.233 23.043 1.00 34.20 ATOM 285 HG1 THR 19 12.160 -15.609 22.170 1.00 72.32 ATOM 286 CG2 THR 19 9.965 -14.535 24.152 1.00 75.33 ATOM 287 HG21 THR 19 10.522 -14.131 24.985 1.00 22.03 ATOM 288 HG22 THR 19 9.000 -14.878 24.496 1.00 21.33 ATOM 289 HG23 THR 19 9.827 -13.764 23.406 1.00 53.43 ATOM 290 C THR 19 9.595 -17.399 25.012 1.00 61.34 ATOM 291 O THR 19 9.025 -16.979 26.020 1.00 1.24 ATOM 292 N TRP 20 9.088 -18.364 24.244 1.00 32.34 ATOM 293 HN TRP 20 9.593 -18.650 23.455 1.00 37.60 ATOM 294 CA TRP 20 7.803 -19.018 24.531 1.00 31.25 ATOM 295 HA TRP 20 7.045 -18.248 24.576 1.00 31.24 ATOM 296 CB TRP 20 7.460 -19.991 23.388 1.00 43.21 ATOM 297 HB1 TRP 20 8.245 -20.732 23.316 1.00 37.60 ATOM 298 HB2 TRP 20 7.414 -19.439 22.460 1.00 2.33 ATOM 299 CG TRP 20 6.154 -20.716 23.549 1.00 60.13 ATOM 300 CD1 TRP 20 4.929 -20.165 23.800 1.00 65.23 ATOM 301 HD1 TRP 20 4.752 -19.108 23.931 1.00 61.23 ATOM 302 CD2 TRP 20 5.944 -22.129 23.442 1.00 11.21 ATOM 303 NE1 TRP 20 3.974 -21.151 23.867 1.00 71.04 ATOM 304 HE1 TRP 20 3.020 -21.008 24.044 1.00 64.24 ATOM 305 CE2 TRP 20 4.573 -22.365 23.651 1.00 12.32 ATOM 306 CE3 TRP 20 6.784 -23.218 23.193 1.00 41.31 ATOM 307 HE3 TRP 20 7.843 -23.080 23.027 1.00 34.33 ATOM 308 CZ2 TRP 20 4.023 -23.644 23.621 1.00 60.34 ATOM 309 HZ2 TRP 20 2.969 -23.815 23.782 1.00 53.04 ATOM 310 CZ3 TRP 20 6.237 -24.487 23.161 1.00 71.14 ATOM 311 HZ3 TRP 20 6.871 -25.341 22.969 1.00 72.24 ATOM 312 CH2 TRP 20 4.868 -24.691 23.373 1.00 72.34 ATOM 313 HH2 TRP 20 4.484 -25.700 23.338 1.00 2.33 ATOM 314 C TRP 20 7.841 -19.755 25.885 1.00 51.15 ATOM 315 O TRP 20 6.931 -19.625 26.706 1.00 42.14 ATOM 316 N LEU 21 8.908 -20.514 26.120 1.00 73.51 ATOM 317 HN LEU 21 9.592 -20.603 25.422 1.00 37.60 ATOM 318 CA LEU 21 9.084 -21.226 27.392 1.00 60.23 ATOM 319 HA LEU 21 8.192 -21.813 27.565 1.00 74.04 ATOM 320 CB LEU 21 10.293 -22.172 27.313 1.00 64.14 ATOM 321 HB1 LEU 21 10.412 -22.652 28.275 1.00 37.60 ATOM 322 HB2 LEU 21 11.175 -21.576 27.119 1.00 53.03 ATOM 323 CG LEU 21 10.209 -23.269 26.239 1.00 42.13 ATOM 324 HG LEU 21 10.175 -22.801 25.265 1.00 33.32 ATOM 325 CD1 LEU 21 11.444 -24.164 26.282 1.00 71.03 ATOM 326 HD11 LEU 21 12.331 -23.564 26.139 1.00 21.42 ATOM 327 HD12 LEU 21 11.382 -24.902 25.495 1.00 44.40 ATOM 328 HD13 LEU 21 11.499 -24.663 27.239 1.00 31.11 ATOM 329 CD2 LEU 21 8.937 -24.096 26.407 1.00 24.33 ATOM 330 HD21 LEU 21 8.914 -24.876 25.660 1.00 61.15 ATOM 331 HD22 LEU 21 8.073 -23.460 26.285 1.00 21.42 ATOM 332 HD23 LEU 21 8.919 -24.541 27.392 1.00 43.13 ATOM 333 C LEU 21 9.260 -20.242 28.564 1.00 71.42 ATOM 334 O LEU 21 8.765 -20.475 29.672 1.00 75.23 ATOM 335 N ILE 22 9.965 -19.140 28.310 1.00 43.21 ATOM 336 HN ILE 22 10.357 -19.023 27.416 1.00 37.60 ATOM 337 CA ILE 22 10.184 -18.104 29.328 1.00 73.33 ATOM 338 HA ILE 22 10.579 -18.591 30.210 1.00 44.22 ATOM 339 CB ILE 22 11.225 -17.055 28.852 1.00 31.12 ATOM 340 HB ILE 22 10.859 -16.609 27.937 1.00 13.53 ATOM 341 CG1 ILE 22 12.576 -17.735 28.573 1.00 50.12 ATOM 342 HG11 ILE 22 12.429 -18.529 27.854 1.00 37.60 ATOM 343 HG12 ILE 22 12.956 -18.159 29.492 1.00 23.21 ATOM 344 CG2 ILE 22 11.387 -15.940 29.889 1.00 52.23 ATOM 345 HG21 ILE 22 12.131 -15.234 29.549 1.00 2.40 ATOM 346 HG22 ILE 22 11.700 -16.367 30.831 1.00 3.22 ATOM 347 HG23 ILE 22 10.443 -15.431 30.023 1.00 73.01 ATOM 348 CD1 ILE 22 13.638 -16.802 28.024 1.00 60.05 ATOM 349 HD11 ILE 22 13.286 -16.351 27.107 1.00 62.45 ATOM 350 HD12 ILE 22 14.538 -17.363 27.823 1.00 62.23 ATOM 351 HD13 ILE 22 13.851 -16.029 28.748 1.00 43.52 ATOM 352 C ILE 22 8.872 -17.389 29.709 1.00 61.22 ATOM 353 O ILE 22 8.577 -17.209 30.892 1.00 33.31 ATOM 354 N THR 23 8.081 -16.996 28.707 1.00 21.55 ATOM 355 HN THR 23 8.350 -17.185 27.782 1.00 37.60 ATOM 356 CA THR 23 6.817 -16.278 28.960 1.00 10.35 ATOM 357 HA THR 23 7.046 -15.446 29.616 1.00 32.41 ATOM 358 CB THR 23 6.196 -15.698 27.660 1.00 44.04 ATOM 359 HB THR 23 6.923 -15.047 27.191 1.00 65.23 ATOM 360 OG1 THR 23 5.022 -14.931 27.972 1.00 60.23 ATOM 361 HG1 THR 23 5.267 -14.181 28.527 1.00 4.21 ATOM 362 CG2 THR 23 5.826 -16.799 26.674 1.00 62.21 ATOM 363 HG21 THR 23 5.396 -16.358 25.786 1.00 73.35 ATOM 364 HG22 THR 23 5.108 -17.465 27.128 1.00 65.51 ATOM 365 HG23 THR 23 6.712 -17.356 26.405 1.00 3.31 ATOM 366 C THR 23 5.779 -17.170 29.661 1.00 52.10 ATOM 367 O THR 23 4.891 -16.674 30.357 1.00 3.20 ATOM 368 N LEU 24 5.890 -18.487 29.475 1.00 51.30 ATOM 369 HN LEU 24 6.559 -18.824 28.842 1.00 37.60 ATOM 370 CA LEU 24 5.018 -19.446 30.175 1.00 32.14 ATOM 371 HA LEU 24 4.047 -18.984 30.289 1.00 72.24 ATOM 372 CB LEU 24 4.857 -20.729 29.344 1.00 35.20 ATOM 373 HB1 LEU 24 4.339 -21.462 29.948 1.00 37.60 ATOM 374 HB2 LEU 24 5.844 -21.110 29.117 1.00 14.41 ATOM 375 CG LEU 24 4.083 -20.563 28.021 1.00 14.54 ATOM 376 HG LEU 24 4.592 -19.833 27.405 1.00 63.50 ATOM 377 CD1 LEU 24 4.045 -21.874 27.244 1.00 45.24 ATOM 378 HD11 LEU 24 3.534 -22.627 27.827 1.00 1.43 ATOM 379 HD12 LEU 24 5.054 -22.202 27.040 1.00 14.04 ATOM 380 HD13 LEU 24 3.522 -21.726 26.310 1.00 71.44 ATOM 381 CD2 LEU 24 2.665 -20.052 28.278 1.00 75.32 ATOM 382 HD21 LEU 24 2.138 -19.965 27.338 1.00 4.03 ATOM 383 HD22 LEU 24 2.711 -19.083 28.753 1.00 75.42 ATOM 384 HD23 LEU 24 2.139 -20.745 28.922 1.00 64.21 ATOM 385 C LEU 24 5.558 -19.783 31.579 1.00 0.52 ATOM 386 O LEU 24 4.997 -20.619 32.287 1.00 31.30 ATOM 387 N GLY 25 6.656 -19.134 31.964 1.00 22.33 ATOM 388 HN GLY 25 7.097 -18.530 31.330 1.00 37.60 ATOM 389 CA GLY 25 7.212 -19.295 33.306 1.00 41.42 ATOM 390 HA1 GLY 25 6.432 -19.095 34.028 1.00 37.60 ATOM 391 HA2 GLY 25 7.995 -18.563 33.438 1.00 61.04 ATOM 392 C GLY 25 7.794 -20.681 33.586 1.00 44.15 ATOM 393 O GLY 25 8.056 -21.025 34.742 1.00 20.41 ATOM 394 N VAL 26 8.006 -21.477 32.538 1.00 43.31 ATOM 395 HN VAL 26 7.787 -21.150 31.640 1.00 37.60 ATOM 396 CA VAL 26 8.559 -22.831 32.697 1.00 62.31 ATOM 397 HA VAL 26 8.316 -23.169 33.697 1.00 12.04 ATOM 398 CB VAL 26 7.926 -23.826 31.690 1.00 40.35 ATOM 399 HB VAL 26 8.297 -24.818 31.917 1.00 72.22 ATOM 400 CG1 VAL 26 6.409 -23.846 31.847 1.00 72.44 ATOM 401 HG11 VAL 26 5.982 -24.552 31.150 1.00 13.14 ATOM 402 HG12 VAL 26 6.010 -22.860 31.649 1.00 32.52 ATOM 403 HG13 VAL 26 6.154 -24.140 32.856 1.00 20.12 ATOM 404 CG2 VAL 26 8.321 -23.490 30.250 1.00 52.24 ATOM 405 HG21 VAL 26 7.867 -24.200 29.574 1.00 41.41 ATOM 406 HG22 VAL 26 9.396 -23.538 30.150 1.00 51.22 ATOM 407 HG23 VAL 26 7.983 -22.493 30.005 1.00 14.31 ATOM 408 C VAL 26 10.088 -22.844 32.541 1.00 4.54 ATOM 409 O VAL 26 10.766 -23.753 33.025 1.00 0.32 ATOM 410 N LEU 27 10.620 -21.830 31.863 1.00 63.04 ATOM 411 HN LEU 27 10.023 -21.153 31.482 1.00 37.60 ATOM 412 CA LEU 27 12.067 -21.694 31.659 1.00 32.43 ATOM 413 HA LEU 27 12.559 -22.501 32.188 1.00 63.12 ATOM 414 CB LEU 27 12.393 -21.809 30.161 1.00 3.31 ATOM 415 HB1 LEU 27 11.920 -20.981 29.650 1.00 37.60 ATOM 416 HB2 LEU 27 11.954 -22.727 29.792 1.00 14.33 ATOM 417 CG LEU 27 13.888 -21.810 29.793 1.00 34.34 ATOM 418 HG LEU 27 14.340 -20.899 30.160 1.00 52.23 ATOM 419 CD1 LEU 27 14.610 -22.987 30.447 1.00 44.31 ATOM 420 HD11 LEU 27 15.651 -22.977 30.155 1.00 23.34 ATOM 421 HD12 LEU 27 14.156 -23.914 30.128 1.00 61.20 ATOM 422 HD13 LEU 27 14.540 -22.902 31.521 1.00 24.33 ATOM 423 CD2 LEU 27 14.065 -21.844 28.277 1.00 12.31 ATOM 424 HD21 LEU 27 13.598 -22.735 27.878 1.00 64.21 ATOM 425 HD22 LEU 27 15.117 -21.852 28.036 1.00 72.31 ATOM 426 HD23 LEU 27 13.604 -20.970 27.839 1.00 74.11 ATOM 427 C LEU 27 12.574 -20.356 32.220 1.00 21.12 ATOM 428 O LEU 27 11.862 -19.348 32.189 1.00 72.02 ATOM 429 N GLU 28 13.798 -20.355 32.743 1.00 22.23 ATOM 430 HN GLU 28 14.323 -21.183 32.720 1.00 37.60 ATOM 431 CA GLU 28 14.384 -19.154 33.355 1.00 13.32 ATOM 432 HA GLU 28 13.655 -18.749 34.043 1.00 1.23 ATOM 433 CB GLU 28 15.651 -19.524 34.140 1.00 31.22 ATOM 434 HB1 GLU 28 15.399 -20.285 34.866 1.00 37.60 ATOM 435 HB2 GLU 28 16.003 -18.646 34.662 1.00 3.24 ATOM 436 CG GLU 28 16.791 -20.052 33.269 1.00 53.33 ATOM 437 HG1 GLU 28 17.024 -19.310 32.517 1.00 37.60 ATOM 438 HG2 GLU 28 16.464 -20.960 32.783 1.00 23.11 ATOM 439 CD GLU 28 18.052 -20.350 34.066 1.00 13.45 ATOM 440 OE1 GLU 28 18.767 -19.395 34.439 1.00 4.40 ATOM 441 OE2 GLU 28 18.340 -21.538 34.323 1.00 31.54 ATOM 442 C GLU 28 14.727 -18.078 32.309 1.00 23.42 ATOM 443 O GLU 28 14.829 -18.358 31.114 1.00 43.21 ATOM 444 N SER 29 14.909 -16.841 32.771 1.00 24.03 ATOM 445 HN SER 29 14.762 -16.661 33.724 1.00 37.60 ATOM 446 CA SER 29 15.340 -15.746 31.893 1.00 21.30 ATOM 447 HA SER 29 14.997 -15.971 30.891 1.00 33.40 ATOM 448 CB SER 29 14.727 -14.413 32.341 1.00 55.22 ATOM 449 HB1 SER 29 15.002 -14.221 33.367 1.00 37.60 ATOM 450 HB2 SER 29 13.653 -14.470 32.261 1.00 52.34 ATOM 451 OG SER 29 15.187 -13.333 31.537 1.00 20.51 ATOM 452 HG SER 29 14.434 -12.796 31.257 1.00 5.32 ATOM 453 C SER 29 16.874 -15.639 31.882 1.00 0.43 ATOM 454 O SER 29 17.507 -15.580 32.941 1.00 54.01 ATOM 455 N PRO 30 17.491 -15.603 30.685 1.00 1.22 ATOM 456 CA PRO 30 18.963 -15.620 30.531 1.00 72.11 ATOM 457 HA PRO 30 19.399 -16.469 31.039 1.00 12.21 ATOM 458 CB PRO 30 19.142 -15.789 29.016 1.00 62.02 ATOM 459 HB1 PRO 30 19.211 -16.840 28.771 1.00 37.60 ATOM 460 HB2 PRO 30 20.039 -15.278 28.689 1.00 5.05 ATOM 461 CG PRO 30 17.916 -15.175 28.436 1.00 35.31 ATOM 462 HG1 PRO 30 17.725 -15.580 27.453 1.00 37.60 ATOM 463 HG2 PRO 30 18.027 -14.099 28.387 1.00 52.14 ATOM 464 CD PRO 30 16.807 -15.540 29.379 1.00 1.00 ATOM 465 HD1 PRO 30 16.386 -16.501 29.119 1.00 37.60 ATOM 466 HD2 PRO 30 16.041 -14.777 29.379 1.00 43.43 ATOM 467 C PRO 30 19.664 -14.335 31.011 1.00 61.21 ATOM 468 O PRO 30 19.025 -13.375 31.445 1.00 70.33 ATOM 469 N LYS 31 20.991 -14.330 30.916 1.00 13.12 ATOM 470 HN LYS 31 21.447 -15.127 30.572 1.00 37.60 ATOM 471 CA LYS 31 21.801 -13.176 31.297 1.00 52.40 ATOM 472 HA LYS 31 21.336 -12.699 32.150 1.00 61.51 ATOM 473 CB LYS 31 23.208 -13.675 31.694 1.00 24.20 ATOM 474 HB1 LYS 31 23.730 -13.983 30.798 1.00 37.60 ATOM 475 HB2 LYS 31 23.094 -14.537 32.337 1.00 11.24 ATOM 476 CG LYS 31 24.083 -12.662 32.433 1.00 51.21 ATOM 477 HG1 LYS 31 24.921 -13.186 32.874 1.00 37.60 ATOM 478 HG2 LYS 31 23.497 -12.203 33.216 1.00 60.02 ATOM 479 CD LYS 31 24.615 -11.568 31.517 1.00 52.23 ATOM 480 HD1 LYS 31 23.783 -10.985 31.148 1.00 37.60 ATOM 481 HD2 LYS 31 25.129 -12.027 30.684 1.00 42.41 ATOM 482 CE LYS 31 25.580 -10.647 32.244 1.00 24.11 ATOM 483 HE1 LYS 31 25.866 -9.856 31.571 1.00 37.60 ATOM 484 HE2 LYS 31 26.456 -11.211 32.528 1.00 3.12 ATOM 485 NZ LYS 31 24.975 -10.049 33.464 1.00 21.41 ATOM 486 HZ1 LYS 31 25.628 -9.357 33.890 1.00 4.41 ATOM 487 HZ2 LYS 31 24.769 -10.788 34.165 1.00 42.55 ATOM 488 HZ3 LYS 31 24.088 -9.565 33.224 1.00 1.33 ATOM 489 C LYS 31 21.861 -12.175 30.129 1.00 65.42 ATOM 490 O LYS 31 21.673 -10.970 30.311 1.00 41.40 ATOM 491 N LYS 32 22.105 -12.700 28.931 1.00 23.34 ATOM 492 HN LYS 32 22.239 -13.670 28.861 1.00 37.60 ATOM 493 CA LYS 32 22.175 -11.891 27.708 1.00 72.43 ATOM 494 HA LYS 32 21.754 -10.918 27.920 1.00 73.45 ATOM 495 CB LYS 32 23.640 -11.722 27.275 1.00 61.23 ATOM 496 HB1 LYS 32 24.161 -11.148 28.029 1.00 37.60 ATOM 497 HB2 LYS 32 23.667 -11.177 26.341 1.00 62.53 ATOM 498 CG LYS 32 24.381 -13.048 27.083 1.00 25.41 ATOM 499 HG1 LYS 32 23.765 -13.709 26.489 1.00 37.60 ATOM 500 HG2 LYS 32 24.555 -13.495 28.052 1.00 50.33 ATOM 501 CD LYS 32 25.724 -12.858 26.381 1.00 73.10 ATOM 502 HD1 LYS 32 26.245 -13.806 26.355 1.00 37.60 ATOM 503 HD2 LYS 32 26.313 -12.141 26.935 1.00 23.22 ATOM 504 CE LYS 32 25.545 -12.353 24.953 1.00 63.50 ATOM 505 HE1 LYS 32 24.991 -11.424 24.979 1.00 37.60 ATOM 506 HE2 LYS 32 24.985 -13.087 24.390 1.00 71.33 ATOM 507 NZ LYS 32 26.846 -12.117 24.274 1.00 4.24 ATOM 508 HZ1 LYS 32 27.416 -12.987 24.275 1.00 74.03 ATOM 509 HZ2 LYS 32 27.373 -11.371 24.766 1.00 21.05 ATOM 510 HZ3 LYS 32 26.688 -11.821 23.287 1.00 42.52 ATOM 511 C LYS 32 21.374 -12.543 26.567 1.00 2.35 ATOM 512 O LYS 32 20.675 -13.537 26.775 1.00 51.43 ATOM 513 N THR 33 21.479 -11.976 25.362 1.00 54.32 ATOM 514 HN THR 33 21.988 -11.143 25.271 1.00 37.60 ATOM 515 CA THR 33 20.841 -12.559 24.172 1.00 4.14 ATOM 516 HA THR 33 19.775 -12.607 24.357 1.00 31.43 ATOM 517 CB THR 33 21.074 -11.691 22.906 1.00 31.01 ATOM 518 HB THR 33 22.138 -11.619 22.727 1.00 31.34 ATOM 519 OG1 THR 33 20.544 -10.367 23.109 1.00 74.54 ATOM 520 HG1 THR 33 20.418 -9.935 22.251 1.00 5.43 ATOM 521 CG2 THR 33 20.415 -12.317 21.677 1.00 41.22 ATOM 522 HG21 THR 33 20.818 -13.307 21.513 1.00 55.34 ATOM 523 HG22 THR 33 20.609 -11.704 20.809 1.00 62.21 ATOM 524 HG23 THR 33 19.348 -12.386 21.835 1.00 51.24 ATOM 525 C THR 33 21.362 -13.980 23.904 1.00 53.02 ATOM 526 O THR 33 22.572 -14.199 23.793 1.00 73.33 ATOM 527 N ILE 34 20.440 -14.936 23.800 1.00 22.23 ATOM 528 HN ILE 34 19.495 -14.688 23.870 1.00 37.60 ATOM 529 CA ILE 34 20.788 -16.348 23.590 1.00 23.22 ATOM 530 HA ILE 34 21.318 -16.691 24.468 1.00 3.13 ATOM 531 CB ILE 34 19.514 -17.218 23.423 1.00 24.11 ATOM 532 HB ILE 34 18.993 -16.884 22.537 1.00 41.42 ATOM 533 CG1 ILE 34 18.585 -17.061 24.638 1.00 2.32 ATOM 534 HG11 ILE 34 17.660 -17.588 24.447 1.00 37.60 ATOM 535 HG12 ILE 34 18.368 -16.012 24.784 1.00 33.44 ATOM 536 CG2 ILE 34 19.885 -18.687 23.223 1.00 71.11 ATOM 537 HG21 ILE 34 20.444 -19.041 24.078 1.00 74.31 ATOM 538 HG22 ILE 34 20.489 -18.790 22.333 1.00 63.14 ATOM 539 HG23 ILE 34 18.985 -19.276 23.114 1.00 65.25 ATOM 540 CD1 ILE 34 19.167 -17.595 25.931 1.00 61.54 ATOM 541 HD11 ILE 34 20.088 -17.077 26.156 1.00 72.22 ATOM 542 HD12 ILE 34 19.364 -18.653 25.829 1.00 52.35 ATOM 543 HD13 ILE 34 18.462 -17.438 26.734 1.00 30.12 ATOM 544 C ILE 34 21.691 -16.543 22.356 1.00 11.44 ATOM 545 O ILE 34 21.273 -16.313 21.221 1.00 15.14 ATOM 546 N SER 35 22.930 -16.976 22.590 1.00 51.45 ATOM 547 HN SER 35 23.209 -17.137 23.517 1.00 37.60 ATOM 548 CA SER 35 23.896 -17.213 21.502 1.00 73.14 ATOM 549 HA SER 35 23.854 -16.368 20.828 1.00 2.24 ATOM 550 CB SER 35 25.319 -17.329 22.070 1.00 62.21 ATOM 551 HB1 SER 35 26.030 -17.322 21.256 1.00 37.60 ATOM 552 HB2 SER 35 25.412 -18.256 22.618 1.00 11.52 ATOM 553 OG SER 35 25.623 -16.254 22.948 1.00 74.55 ATOM 554 HG SER 35 25.108 -15.478 22.698 1.00 70.14 ATOM 555 C SER 35 23.558 -18.492 20.724 1.00 42.22 ATOM 556 O SER 35 23.716 -18.557 19.501 1.00 11.40 ATOM 557 N ASP 36 23.104 -19.509 21.450 1.00 42.30 ATOM 558 HN ASP 36 23.004 -19.387 22.417 1.00 37.60 ATOM 559 CA ASP 36 22.751 -20.804 20.861 1.00 72.02 ATOM 560 HA ASP 36 22.712 -20.684 19.786 1.00 3.42 ATOM 561 CB ASP 36 23.840 -21.832 21.206 1.00 63.04 ATOM 562 HB1 ASP 36 23.954 -21.873 22.281 1.00 37.60 ATOM 563 HB2 ASP 36 24.775 -21.513 20.767 1.00 20.34 ATOM 564 CG ASP 36 23.534 -23.232 20.702 1.00 43.31 ATOM 565 OD1 ASP 36 23.931 -24.206 21.373 1.00 23.31 ATOM 566 OD2 ASP 36 22.902 -23.368 19.634 1.00 64.42 ATOM 567 C ASP 36 21.368 -21.273 21.357 1.00 63.22 ATOM 568 O ASP 36 21.260 -21.939 22.387 1.00 62.42 ATOM 569 N PRO 37 20.288 -20.905 20.636 1.00 55.04 ATOM 570 CA PRO 37 18.907 -21.233 21.043 1.00 2.14 ATOM 571 HA PRO 37 18.696 -20.858 22.036 1.00 71.12 ATOM 572 CB PRO 37 18.044 -20.475 20.020 1.00 21.14 ATOM 573 HB1 PRO 37 17.749 -19.520 20.433 1.00 37.60 ATOM 574 HB2 PRO 37 17.163 -21.053 19.778 1.00 75.02 ATOM 575 CG PRO 37 18.929 -20.299 18.829 1.00 71.11 ATOM 576 HG1 PRO 37 18.634 -19.418 18.277 1.00 37.60 ATOM 577 HG2 PRO 37 18.874 -21.175 18.195 1.00 71.34 ATOM 578 CD PRO 37 20.322 -20.133 19.375 1.00 41.54 ATOM 579 HD1 PRO 37 20.532 -19.090 19.570 1.00 37.60 ATOM 580 HD2 PRO 37 21.050 -20.543 18.689 1.00 61.53 ATOM 581 C PRO 37 18.600 -22.740 21.008 1.00 40.42 ATOM 582 O PRO 37 18.007 -23.284 21.941 1.00 33.10 ATOM 583 N GLU 38 19.014 -23.410 19.936 1.00 31.40 ATOM 584 HN GLU 38 19.540 -22.943 19.256 1.00 37.60 ATOM 585 CA GLU 38 18.713 -24.834 19.752 1.00 73.12 ATOM 586 HA GLU 38 17.648 -24.957 19.893 1.00 31.45 ATOM 587 CB GLU 38 19.069 -25.262 18.319 1.00 0.25 ATOM 588 HB1 GLU 38 18.814 -26.304 18.187 1.00 37.60 ATOM 589 HB2 GLU 38 20.133 -25.136 18.171 1.00 32.13 ATOM 590 CG GLU 38 18.331 -24.445 17.257 1.00 73.55 ATOM 591 HG1 GLU 38 18.583 -23.401 17.393 1.00 37.60 ATOM 592 HG2 GLU 38 17.267 -24.569 17.407 1.00 74.12 ATOM 593 CD GLU 38 18.663 -24.839 15.825 1.00 3.14 ATOM 594 OE1 GLU 38 17.836 -25.516 15.180 1.00 74.14 ATOM 595 OE2 GLU 38 19.741 -24.452 15.331 1.00 55.23 ATOM 596 C GLU 38 19.442 -25.703 20.793 1.00 44.24 ATOM 597 O GLU 38 18.881 -26.671 21.309 1.00 31.21 ATOM 598 N GLY 39 20.684 -25.341 21.110 1.00 73.45 ATOM 599 HN GLY 39 21.105 -24.599 20.628 1.00 37.60 ATOM 600 CA GLY 39 21.428 -26.041 22.153 1.00 43.01 ATOM 601 HA1 GLY 39 22.471 -25.767 22.075 1.00 37.60 ATOM 602 HA2 GLY 39 21.339 -27.106 21.994 1.00 72.04 ATOM 603 C GLY 39 20.934 -25.706 23.561 1.00 43.43 ATOM 604 O GLY 39 20.822 -26.589 24.413 1.00 65.33 ATOM 605 N PHE 40 20.628 -24.426 23.801 1.00 1.23 ATOM 606 HN PHE 40 20.760 -23.767 23.087 1.00 37.60 ATOM 607 CA PHE 40 20.112 -23.969 25.103 1.00 12.31 ATOM 608 HA PHE 40 20.873 -24.164 25.847 1.00 3.24 ATOM 609 CB PHE 40 19.842 -22.456 25.053 1.00 53.34 ATOM 610 HB1 PHE 40 19.098 -22.257 24.293 1.00 37.60 ATOM 611 HB2 PHE 40 20.757 -21.945 24.786 1.00 62.43 ATOM 612 CG PHE 40 19.351 -21.866 26.352 1.00 53.42 ATOM 613 CD1 PHE 40 20.230 -21.640 27.403 1.00 75.45 ATOM 614 HD1 PHE 40 21.273 -21.898 27.287 1.00 40.30 ATOM 615 CD2 PHE 40 18.015 -21.529 26.519 1.00 40.41 ATOM 616 HD2 PHE 40 17.319 -21.700 25.709 1.00 73.25 ATOM 617 CE1 PHE 40 19.786 -21.091 28.591 1.00 22.01 ATOM 618 HE1 PHE 40 20.481 -20.921 29.401 1.00 3.34 ATOM 619 CE2 PHE 40 17.567 -20.981 27.705 1.00 3.23 ATOM 620 HE2 PHE 40 16.524 -20.725 27.821 1.00 20.34 ATOM 621 CZ PHE 40 18.453 -20.763 28.742 1.00 30.05 ATOM 622 HZ PHE 40 18.103 -20.334 29.670 1.00 61.32 ATOM 623 C PHE 40 18.830 -24.728 25.494 1.00 1.30 ATOM 624 O PHE 40 18.629 -25.081 26.659 1.00 51.01 ATOM 625 N LEU 41 17.965 -24.970 24.512 1.00 64.41 ATOM 626 HN LEU 41 18.147 -24.608 23.617 1.00 37.60 ATOM 627 CA LEU 41 16.743 -25.750 24.732 1.00 12.25 ATOM 628 HA LEU 41 16.256 -25.361 25.616 1.00 21.32 ATOM 629 CB LEU 41 15.795 -25.597 23.537 1.00 63.15 ATOM 630 HB1 LEU 41 14.929 -26.225 23.707 1.00 37.60 ATOM 631 HB2 LEU 41 16.307 -25.955 22.654 1.00 73.01 ATOM 632 CG LEU 41 15.306 -24.166 23.263 1.00 52.32 ATOM 633 HG LEU 41 16.163 -23.530 23.098 1.00 2.32 ATOM 634 CD1 LEU 41 14.447 -24.118 22.003 1.00 64.02 ATOM 635 HD11 LEU 41 14.125 -23.101 21.824 1.00 64.12 ATOM 636 HD12 LEU 41 13.581 -24.752 22.128 1.00 73.14 ATOM 637 HD13 LEU 41 15.027 -24.463 21.159 1.00 13.24 ATOM 638 CD2 LEU 41 14.540 -23.616 24.465 1.00 71.34 ATOM 639 HD21 LEU 41 15.193 -23.584 25.326 1.00 0.23 ATOM 640 HD22 LEU 41 13.693 -24.252 24.679 1.00 3.22 ATOM 641 HD23 LEU 41 14.191 -22.617 24.244 1.00 74.35 ATOM 642 C LEU 41 17.063 -27.236 24.959 1.00 23.43 ATOM 643 O LEU 41 16.499 -27.874 25.842 1.00 61.33 ATOM 644 N GLN 42 17.980 -27.776 24.159 1.00 10.11 ATOM 645 HN GLN 42 18.401 -27.215 23.474 1.00 37.60 ATOM 646 CA GLN 42 18.375 -29.188 24.265 1.00 45.50 ATOM 647 HA GLN 42 17.493 -29.788 24.086 1.00 53.14 ATOM 648 CB GLN 42 19.425 -29.507 23.179 1.00 43.42 ATOM 649 HB1 GLN 42 20.353 -29.019 23.445 1.00 37.60 ATOM 650 HB2 GLN 42 19.079 -29.095 22.242 1.00 50.31 ATOM 651 CG GLN 42 19.714 -30.996 22.957 1.00 71.23 ATOM 652 HG1 GLN 42 20.105 -31.123 21.957 1.00 37.60 ATOM 653 HG2 GLN 42 18.786 -31.544 23.042 1.00 62.31 ATOM 654 CD GLN 42 20.711 -31.592 23.944 1.00 43.10 ATOM 655 OE1 GLN 42 21.917 -31.542 23.731 1.00 33.25 ATOM 656 NE2 GLN 42 20.222 -32.202 25.004 1.00 60.32 ATOM 657 HE21 GLN 42 19.247 -32.244 25.110 1.00 2.21 ATOM 658 HE22 GLN 42 20.852 -32.592 25.639 1.00 13.10 ATOM 659 C GLN 42 18.917 -29.512 25.673 1.00 41.03 ATOM 660 O GLN 42 18.560 -30.529 26.268 1.00 52.31 ATOM 661 N ALA 43 19.765 -28.633 26.202 1.00 53.10 ATOM 662 HN ALA 43 19.992 -27.826 25.691 1.00 37.60 ATOM 663 CA ALA 43 20.380 -28.834 27.522 1.00 21.12 ATOM 664 HA ALA 43 20.787 -29.837 27.546 1.00 43.45 ATOM 665 CB ALA 43 21.535 -27.858 27.707 1.00 34.43 ATOM 666 HB1 ALA 43 22.030 -28.059 28.646 1.00 73.03 ATOM 667 HB2 ALA 43 21.157 -26.846 27.707 1.00 13.32 ATOM 668 HB3 ALA 43 22.242 -27.977 26.898 1.00 70.42 ATOM 669 C ALA 43 19.366 -28.687 28.674 1.00 5.13 ATOM 670 O ALA 43 19.447 -29.400 29.676 1.00 55.41 ATOM 671 N SER 44 18.419 -27.760 28.529 1.00 51.22 ATOM 672 HN SER 44 18.392 -27.236 27.699 1.00 37.60 ATOM 673 CA SER 44 17.413 -27.494 29.576 1.00 0.43 ATOM 674 HA SER 44 17.915 -27.549 30.533 1.00 45.04 ATOM 675 CB SER 44 16.831 -26.082 29.406 1.00 43.02 ATOM 676 HB1 SER 44 17.618 -25.355 29.539 1.00 37.60 ATOM 677 HB2 SER 44 16.064 -25.917 30.150 1.00 75.12 ATOM 678 OG SER 44 16.261 -25.907 28.116 1.00 65.05 ATOM 679 HG SER 44 16.846 -25.357 27.581 1.00 64.21 ATOM 680 C SER 44 16.276 -28.529 29.559 1.00 74.21 ATOM 681 O SER 44 15.933 -29.112 30.588 1.00 41.54 ATOM 682 N LEU 45 15.699 -28.755 28.382 1.00 53.23 ATOM 683 HN LEU 45 16.014 -28.256 27.597 1.00 37.60 ATOM 684 CA LEU 45 14.596 -29.714 28.219 1.00 1.24 ATOM 685 HA LEU 45 13.855 -29.499 28.977 1.00 72.42 ATOM 686 CB LEU 45 13.954 -29.539 26.835 1.00 54.30 ATOM 687 HB1 LEU 45 13.117 -30.219 26.762 1.00 37.60 ATOM 688 HB2 LEU 45 14.685 -29.816 26.087 1.00 35.32 ATOM 689 CG LEU 45 13.450 -28.120 26.515 1.00 22.12 ATOM 690 HG LEU 45 14.278 -27.429 26.587 1.00 34.25 ATOM 691 CD1 LEU 45 12.907 -28.047 25.091 1.00 73.42 ATOM 692 HD11 LEU 45 13.681 -28.335 24.395 1.00 55.24 ATOM 693 HD12 LEU 45 12.591 -27.035 24.877 1.00 14.42 ATOM 694 HD13 LEU 45 12.065 -28.716 24.989 1.00 41.22 ATOM 695 CD2 LEU 45 12.386 -27.687 27.519 1.00 4.35 ATOM 696 HD21 LEU 45 12.811 -27.675 28.513 1.00 60.23 ATOM 697 HD22 LEU 45 11.557 -28.379 27.492 1.00 20.52 ATOM 698 HD23 LEU 45 12.034 -26.696 27.270 1.00 2.01 ATOM 699 C LEU 45 15.072 -31.169 28.393 1.00 21.54 ATOM 700 O LEU 45 14.257 -32.086 28.491 1.00 52.42 ATOM 701 N LYS 46 16.393 -31.359 28.446 1.00 31.42 ATOM 702 HN LYS 46 16.979 -30.574 28.394 1.00 37.60 ATOM 703 CA LYS 46 17.012 -32.691 28.562 1.00 62.13 ATOM 704 HA LYS 46 16.889 -33.194 27.613 1.00 20.14 ATOM 705 CB LYS 46 18.515 -32.538 28.847 1.00 23.14 ATOM 706 HB1 LYS 46 18.639 -32.066 29.812 1.00 37.60 ATOM 707 HB2 LYS 46 18.952 -31.901 28.089 1.00 33.32 ATOM 708 CG LYS 46 19.282 -33.858 28.859 1.00 70.02 ATOM 709 HG1 LYS 46 19.258 -34.281 27.864 1.00 37.60 ATOM 710 HG2 LYS 46 18.796 -34.536 29.544 1.00 31.30 ATOM 711 CD LYS 46 20.743 -33.690 29.287 1.00 24.30 ATOM 712 HD1 LYS 46 21.155 -32.820 28.793 1.00 37.60 ATOM 713 HD2 LYS 46 21.296 -34.567 28.981 1.00 5.32 ATOM 714 CE LYS 46 20.901 -33.522 30.801 1.00 63.22 ATOM 715 HE1 LYS 46 21.954 -33.555 31.043 1.00 37.60 ATOM 716 HE2 LYS 46 20.400 -34.343 31.295 1.00 13.42 ATOM 717 NZ LYS 46 20.332 -32.243 31.309 1.00 34.01 ATOM 718 HZ1 LYS 46 20.581 -32.118 32.313 1.00 23.30 ATOM 719 HZ2 LYS 46 19.294 -32.251 31.230 1.00 74.12 ATOM 720 HZ3 LYS 46 20.706 -31.440 30.770 1.00 4.30 ATOM 721 C LYS 46 16.378 -33.554 29.669 1.00 22.33 ATOM 722 O LYS 46 16.184 -34.756 29.498 1.00 1.15 ATOM 723 N ASP 47 16.073 -32.938 30.806 1.00 30.03 ATOM 724 HN ASP 47 16.205 -31.967 30.871 1.00 37.60 ATOM 725 CA ASP 47 15.569 -33.670 31.973 1.00 54.12 ATOM 726 HA ASP 47 15.983 -34.667 31.937 1.00 2.12 ATOM 727 CB ASP 47 16.063 -32.985 33.246 1.00 32.33 ATOM 728 HB1 ASP 47 15.791 -33.583 34.105 1.00 37.60 ATOM 729 HB2 ASP 47 15.602 -32.010 33.329 1.00 44.33 ATOM 730 CG ASP 47 17.569 -32.810 33.228 1.00 64.33 ATOM 731 OD1 ASP 47 18.280 -33.601 33.877 1.00 60.22 ATOM 732 OD2 ASP 47 18.051 -31.888 32.538 1.00 42.03 ATOM 733 C ASP 47 14.034 -33.782 31.982 1.00 41.01 ATOM 734 O ASP 47 13.450 -34.332 32.918 1.00 30.52 ATOM 735 N GLY 48 13.383 -33.246 30.949 1.00 5.01 ATOM 736 HN GLY 48 13.897 -32.789 30.249 1.00 37.60 ATOM 737 CA GLY 48 11.928 -33.353 30.825 1.00 75.04 ATOM 738 HA1 GLY 48 11.641 -34.378 31.016 1.00 37.60 ATOM 739 HA2 GLY 48 11.657 -33.110 29.810 1.00 1.15 ATOM 740 C GLY 48 11.136 -32.439 31.767 1.00 54.34 ATOM 741 O GLY 48 10.012 -32.051 31.451 1.00 70.12 ATOM 742 N VAL 49 11.718 -32.093 32.917 1.00 64.33 ATOM 743 HN VAL 49 12.623 -32.417 33.099 1.00 37.60 ATOM 744 CA VAL 49 11.040 -31.268 33.935 1.00 73.03 ATOM 745 HA VAL 49 10.263 -31.875 34.381 1.00 4.22 ATOM 746 CB VAL 49 12.026 -30.849 35.057 1.00 4.42 ATOM 747 HB VAL 49 12.774 -30.198 34.623 1.00 21.52 ATOM 748 CG1 VAL 49 11.306 -30.071 36.160 1.00 44.23 ATOM 749 HG11 VAL 49 10.546 -30.696 36.609 1.00 53.41 ATOM 750 HG12 VAL 49 10.842 -29.191 35.738 1.00 32.35 ATOM 751 HG13 VAL 49 12.018 -29.773 36.916 1.00 1.31 ATOM 752 CG2 VAL 49 12.742 -32.074 35.631 1.00 1.02 ATOM 753 HG21 VAL 49 12.015 -32.758 36.046 1.00 12.32 ATOM 754 HG22 VAL 49 13.425 -31.763 36.408 1.00 45.44 ATOM 755 HG23 VAL 49 13.295 -32.570 34.846 1.00 13.31 ATOM 756 C VAL 49 10.389 -30.005 33.335 1.00 24.51 ATOM 757 O VAL 49 9.218 -29.712 33.597 1.00 10.02 ATOM 758 N VAL 50 11.148 -29.262 32.531 1.00 52.22 ATOM 759 HN VAL 50 12.080 -29.523 32.381 1.00 37.60 ATOM 760 CA VAL 50 10.626 -28.055 31.876 1.00 73.55 ATOM 761 HA VAL 50 10.261 -27.390 32.649 1.00 64.32 ATOM 762 CB VAL 50 11.741 -27.315 31.087 1.00 50.32 ATOM 763 HB VAL 50 12.075 -27.964 30.287 1.00 14.53 ATOM 764 CG1 VAL 50 11.206 -26.028 30.459 1.00 23.33 ATOM 765 HG11 VAL 50 12.002 -25.527 29.927 1.00 24.24 ATOM 766 HG12 VAL 50 10.827 -25.377 31.234 1.00 4.40 ATOM 767 HG13 VAL 50 10.409 -26.267 29.769 1.00 5.32 ATOM 768 CG2 VAL 50 12.942 -27.018 31.987 1.00 5.33 ATOM 769 HG21 VAL 50 12.631 -26.388 32.809 1.00 15.12 ATOM 770 HG22 VAL 50 13.705 -26.510 31.416 1.00 63.52 ATOM 771 HG23 VAL 50 13.342 -27.945 32.375 1.00 74.00 ATOM 772 C VAL 50 9.461 -28.393 30.925 1.00 60.43 ATOM 773 O VAL 50 8.484 -27.648 30.828 1.00 33.34 ATOM 774 N LEU 51 9.565 -29.538 30.245 1.00 0.53 ATOM 775 HN LEU 51 10.362 -30.092 30.372 1.00 37.60 ATOM 776 CA LEU 51 8.516 -30.001 29.326 1.00 2.51 ATOM 777 HA LEU 51 8.331 -29.212 28.610 1.00 54.22 ATOM 778 CB LEU 51 8.982 -31.254 28.574 1.00 3.14 ATOM 779 HB1 LEU 51 8.147 -31.637 28.005 1.00 37.60 ATOM 780 HB2 LEU 51 9.264 -31.999 29.307 1.00 34.51 ATOM 781 CG LEU 51 10.164 -31.053 27.614 1.00 1.10 ATOM 782 HG LEU 51 10.998 -30.639 28.164 1.00 30.31 ATOM 783 CD1 LEU 51 10.610 -32.387 27.025 1.00 52.43 ATOM 784 HD11 LEU 51 9.795 -32.830 26.468 1.00 21.22 ATOM 785 HD12 LEU 51 10.903 -33.053 27.823 1.00 10.14 ATOM 786 HD13 LEU 51 11.450 -32.228 26.364 1.00 35.41 ATOM 787 CD2 LEU 51 9.796 -30.069 26.502 1.00 44.01 ATOM 788 HD21 LEU 51 10.640 -29.942 25.838 1.00 24.20 ATOM 789 HD22 LEU 51 9.537 -29.113 26.937 1.00 44.22 ATOM 790 HD23 LEU 51 8.954 -30.450 25.942 1.00 71.33 ATOM 791 C LEU 51 7.209 -30.306 30.073 1.00 42.23 ATOM 792 O LEU 51 6.127 -29.913 29.638 1.00 51.44 ATOM 793 N CYS 52 7.317 -31.013 31.196 1.00 12.14 ATOM 794 HN CYS 52 8.206 -31.321 31.482 1.00 37.60 ATOM 795 CA CYS 52 6.147 -31.347 32.015 1.00 33.03 ATOM 796 HA CYS 52 5.481 -31.943 31.406 1.00 12.21 ATOM 797 CB CYS 52 6.568 -32.170 33.235 1.00 50.35 ATOM 798 HB1 CYS 52 5.689 -32.438 33.803 1.00 37.60 ATOM 799 HB2 CYS 52 7.223 -31.574 33.854 1.00 4.24 ATOM 800 SG CYS 52 7.446 -33.699 32.824 1.00 64.13 ATOM 801 HG CYS 52 6.659 -34.431 32.046 1.00 51.54 ATOM 802 C CYS 52 5.402 -30.080 32.459 1.00 53.25 ATOM 803 O CYS 52 4.178 -30.000 32.347 1.00 4.11 ATOM 804 N ARG 53 6.146 -29.085 32.951 1.00 35.51 ATOM 805 HN ARG 53 7.109 -29.225 33.082 1.00 37.60 ATOM 806 CA ARG 53 5.551 -27.787 33.300 1.00 75.03 ATOM 807 HA ARG 53 4.783 -27.964 34.040 1.00 22.34 ATOM 808 CB ARG 53 6.608 -26.844 33.894 1.00 23.50 ATOM 809 HB1 ARG 53 6.174 -25.858 33.995 1.00 37.60 ATOM 810 HB2 ARG 53 7.443 -26.786 33.210 1.00 43.31 ATOM 811 CG ARG 53 7.140 -27.271 35.259 1.00 43.10 ATOM 812 HG1 ARG 53 7.682 -28.200 35.150 1.00 37.60 ATOM 813 HG2 ARG 53 6.307 -27.415 35.932 1.00 10.10 ATOM 814 CD ARG 53 8.074 -26.215 35.845 1.00 52.31 ATOM 815 HD1 ARG 53 7.556 -25.266 35.861 1.00 37.60 ATOM 816 HD2 ARG 53 8.948 -26.132 35.213 1.00 51.31 ATOM 817 NE ARG 53 8.507 -26.541 37.204 1.00 32.12 ATOM 818 HE ARG 53 8.355 -27.453 37.523 1.00 45.22 ATOM 819 CZ ARG 53 9.076 -25.687 38.015 1.00 21.32 ATOM 820 NH1 ARG 53 9.274 -24.461 37.651 1.00 0.43 ATOM 821 HH11 ARG 53 8.991 -24.155 36.751 1.00 52.34 ATOM 822 HH12 ARG 53 9.709 -23.821 38.284 1.00 23.30 ATOM 823 NH2 ARG 53 9.440 -26.056 39.199 1.00 24.31 ATOM 824 HH21 ARG 53 9.286 -26.995 39.501 1.00 41.02 ATOM 825 HH22 ARG 53 9.872 -25.396 39.812 1.00 72.12 ATOM 826 C ARG 53 4.907 -27.131 32.065 1.00 52.13 ATOM 827 O ARG 53 3.800 -26.595 32.136 1.00 14.43 ATOM 828 N LEU 54 5.616 -27.185 30.937 1.00 63.32 ATOM 829 HN LEU 54 6.505 -27.597 30.959 1.00 37.60 ATOM 830 CA LEU 54 5.118 -26.647 29.663 1.00 31.12 ATOM 831 HA LEU 54 5.044 -25.574 29.765 1.00 1.31 ATOM 832 CB LEU 54 6.114 -26.973 28.540 1.00 3.14 ATOM 833 HB1 LEU 54 6.272 -28.043 28.530 1.00 37.60 ATOM 834 HB2 LEU 54 7.054 -26.495 28.778 1.00 64.35 ATOM 835 CG LEU 54 5.694 -26.537 27.127 1.00 22.02 ATOM 836 HG LEU 54 4.742 -26.992 26.887 1.00 62.52 ATOM 837 CD1 LEU 54 5.516 -25.025 27.053 1.00 33.32 ATOM 838 HD11 LEU 54 6.435 -24.536 27.343 1.00 45.34 ATOM 839 HD12 LEU 54 4.722 -24.723 27.719 1.00 1.55 ATOM 840 HD13 LEU 54 5.262 -24.741 26.042 1.00 70.02 ATOM 841 CD2 LEU 54 6.712 -27.015 26.095 1.00 12.12 ATOM 842 HD21 LEU 54 6.384 -26.730 25.106 1.00 54.52 ATOM 843 HD22 LEU 54 6.800 -28.090 26.146 1.00 12.21 ATOM 844 HD23 LEU 54 7.675 -26.566 26.298 1.00 53.52 ATOM 845 C LEU 54 3.728 -27.208 29.318 1.00 2.40 ATOM 846 O LEU 54 2.802 -26.456 28.998 1.00 32.54 ATOM 847 N LEU 55 3.586 -28.529 29.394 1.00 51.20 ATOM 848 HN LEU 55 4.360 -29.077 29.645 1.00 37.60 ATOM 849 CA LEU 55 2.307 -29.187 29.112 1.00 53.12 ATOM 850 HA LEU 55 1.984 -28.857 28.134 1.00 32.40 ATOM 851 CB LEU 55 2.483 -30.712 29.084 1.00 0.33 ATOM 852 HB1 LEU 55 2.830 -31.032 30.057 1.00 37.60 ATOM 853 HB2 LEU 55 3.248 -30.947 28.357 1.00 50.43 ATOM 854 CG LEU 55 1.219 -31.519 28.733 1.00 53.21 ATOM 855 HG LEU 55 0.471 -31.353 29.498 1.00 12.15 ATOM 856 CD1 LEU 55 0.634 -31.057 27.399 1.00 24.32 ATOM 857 HD11 LEU 55 -0.224 -31.665 27.149 1.00 63.13 ATOM 858 HD12 LEU 55 1.380 -31.153 26.624 1.00 72.14 ATOM 859 HD13 LEU 55 0.329 -30.024 27.477 1.00 0.31 ATOM 860 CD2 LEU 55 1.530 -33.015 28.697 1.00 64.51 ATOM 861 HD21 LEU 55 0.630 -33.567 28.465 1.00 41.41 ATOM 862 HD22 LEU 55 1.903 -33.329 29.660 1.00 43.33 ATOM 863 HD23 LEU 55 2.277 -33.212 27.941 1.00 4.21 ATOM 864 C LEU 55 1.236 -28.788 30.138 1.00 11.15 ATOM 865 O LEU 55 0.077 -28.598 29.787 1.00 22.43 ATOM 866 N GLU 56 1.631 -28.650 31.403 1.00 13.33 ATOM 867 HN GLU 56 2.563 -28.844 31.634 1.00 37.60 ATOM 868 CA GLU 56 0.704 -28.228 32.464 1.00 35.31 ATOM 869 HA GLU 56 -0.166 -28.866 32.405 1.00 4.11 ATOM 870 CB GLU 56 1.354 -28.416 33.842 1.00 72.42 ATOM 871 HB1 GLU 56 0.761 -27.902 34.586 1.00 37.60 ATOM 872 HB2 GLU 56 2.343 -27.981 33.822 1.00 23.33 ATOM 873 CG GLU 56 1.489 -29.875 34.266 1.00 21.54 ATOM 874 HG1 GLU 56 2.023 -29.915 35.206 1.00 37.60 ATOM 875 HG2 GLU 56 2.057 -30.403 33.513 1.00 53.01 ATOM 876 CD GLU 56 0.143 -30.569 34.441 1.00 70.43 ATOM 877 OE1 GLU 56 -0.304 -31.269 33.510 1.00 72.02 ATOM 878 OE2 GLU 56 -0.477 -30.412 35.516 1.00 4.42 ATOM 879 C GLU 56 0.243 -26.768 32.288 1.00 61.03 ATOM 880 O GLU 56 -0.806 -26.377 32.799 1.00 53.41 ATOM 881 N ARG 57 1.027 -25.963 31.572 1.00 0.01 ATOM 882 HN ARG 57 1.885 -26.307 31.239 1.00 37.60 ATOM 883 CA ARG 57 0.649 -24.571 31.285 1.00 40.31 ATOM 884 HA ARG 57 0.322 -24.122 32.213 1.00 65.21 ATOM 885 CB ARG 57 1.856 -23.786 30.757 1.00 11.43 ATOM 886 HB1 ARG 57 1.519 -22.819 30.409 1.00 37.60 ATOM 887 HB2 ARG 57 2.283 -24.326 29.923 1.00 21.04 ATOM 888 CG ARG 57 2.956 -23.563 31.791 1.00 42.43 ATOM 889 HG1 ARG 57 3.774 -23.037 31.321 1.00 37.60 ATOM 890 HG2 ARG 57 3.302 -24.523 32.145 1.00 63.21 ATOM 891 CD ARG 57 2.465 -22.748 32.985 1.00 22.30 ATOM 892 HD1 ARG 57 3.304 -22.549 33.637 1.00 37.60 ATOM 893 HD2 ARG 57 1.723 -23.322 33.521 1.00 22.53 ATOM 894 NE ARG 57 1.871 -21.477 32.574 1.00 34.34 ATOM 895 HE ARG 57 1.484 -21.427 31.680 1.00 41.53 ATOM 896 CZ ARG 57 1.807 -20.416 33.329 1.00 73.20 ATOM 897 NH1 ARG 57 2.322 -20.408 34.516 1.00 2.33 ATOM 898 HH11 ARG 57 2.784 -21.221 34.869 1.00 75.50 ATOM 899 HH12 ARG 57 2.248 -19.588 35.080 1.00 64.24 ATOM 900 NH2 ARG 57 1.229 -19.349 32.887 1.00 41.51 ATOM 901 HH21 ARG 57 0.834 -19.339 31.971 1.00 4.25 ATOM 902 HH22 ARG 57 1.179 -18.540 33.465 1.00 12.55 ATOM 903 C ARG 57 -0.502 -24.488 30.268 1.00 70.11 ATOM 904 O ARG 57 -1.412 -23.665 30.402 1.00 51.13 ATOM 905 N LEU 58 -0.444 -25.333 29.243 1.00 52.31 ATOM 906 HN LEU 58 0.305 -25.963 29.191 1.00 37.60 ATOM 907 CA LEU 58 -1.462 -25.347 28.187 1.00 15.02 ATOM 908 HA LEU 58 -1.862 -24.346 28.093 1.00 33.05 ATOM 909 CB LEU 58 -0.813 -25.746 26.854 1.00 5.21 ATOM 910 HB1 LEU 58 -1.571 -25.720 26.083 1.00 37.60 ATOM 911 HB2 LEU 58 -0.452 -26.763 26.944 1.00 3.05 ATOM 912 CG LEU 58 0.359 -24.849 26.411 1.00 25.15 ATOM 913 HG LEU 58 1.119 -24.861 27.180 1.00 2.42 ATOM 914 CD1 LEU 58 0.995 -25.372 25.126 1.00 35.42 ATOM 915 HD11 LEU 58 1.832 -24.744 24.854 1.00 64.13 ATOM 916 HD12 LEU 58 0.266 -25.361 24.328 1.00 32.23 ATOM 917 HD13 LEU 58 1.342 -26.383 25.281 1.00 3.22 ATOM 918 CD2 LEU 58 -0.102 -23.402 26.233 1.00 10.12 ATOM 919 HD21 LEU 58 0.732 -22.796 25.913 1.00 12.14 ATOM 920 HD22 LEU 58 -0.479 -23.025 27.173 1.00 32.22 ATOM 921 HD23 LEU 58 -0.884 -23.359 25.487 1.00 62.01 ATOM 922 C LEU 58 -2.617 -26.303 28.535 1.00 11.44 ATOM 923 O LEU 58 -3.788 -25.976 28.341 1.00 41.35 ATOM 924 N LEU 59 -2.271 -27.482 29.049 1.00 41.42 ATOM 925 HN LEU 59 -1.322 -27.686 29.146 1.00 37.60 ATOM 926 CA LEU 59 -3.256 -28.489 29.477 1.00 15.52 ATOM 927 HA LEU 59 -4.242 -28.054 29.396 1.00 51.30 ATOM 928 CB LEU 59 -3.176 -29.729 28.567 1.00 64.14 ATOM 929 HB1 LEU 59 -3.885 -30.460 28.931 1.00 37.60 ATOM 930 HB2 LEU 59 -2.182 -30.147 28.656 1.00 4.30 ATOM 931 CG LEU 59 -3.465 -29.483 27.075 1.00 24.12 ATOM 932 HG LEU 59 -2.827 -28.687 26.718 1.00 44.44 ATOM 933 CD1 LEU 59 -3.153 -30.733 26.255 1.00 75.35 ATOM 934 HD11 LEU 59 -3.784 -31.548 26.580 1.00 15.20 ATOM 935 HD12 LEU 59 -2.116 -31.005 26.391 1.00 74.20 ATOM 936 HD13 LEU 59 -3.335 -30.533 25.208 1.00 52.42 ATOM 937 CD2 LEU 59 -4.917 -29.054 26.868 1.00 24.01 ATOM 938 HD21 LEU 59 -5.579 -29.835 27.216 1.00 53.42 ATOM 939 HD22 LEU 59 -5.094 -28.875 25.818 1.00 21.42 ATOM 940 HD23 LEU 59 -5.108 -28.146 27.423 1.00 45.44 ATOM 941 C LEU 59 -3.019 -28.907 30.944 1.00 64.22 ATOM 942 O LEU 59 -2.394 -29.936 31.213 1.00 44.25 ATOM 943 N PRO 60 -3.510 -28.111 31.916 1.00 62.12 ATOM 944 CA PRO 60 -3.276 -28.374 33.350 1.00 53.15 ATOM 945 HA PRO 60 -2.217 -28.463 33.560 1.00 44.53 ATOM 946 CB PRO 60 -3.825 -27.110 34.035 1.00 40.33 ATOM 947 HB1 PRO 60 -3.019 -26.405 34.191 1.00 37.60 ATOM 948 HB2 PRO 60 -4.268 -27.371 34.986 1.00 53.51 ATOM 949 CG PRO 60 -4.840 -26.572 33.081 1.00 14.11 ATOM 950 HG1 PRO 60 -4.934 -25.502 33.205 1.00 37.60 ATOM 951 HG2 PRO 60 -5.795 -27.053 33.249 1.00 13.00 ATOM 952 CD PRO 60 -4.324 -26.897 31.703 1.00 54.22 ATOM 953 HD1 PRO 60 -3.715 -26.087 31.326 1.00 37.60 ATOM 954 HD2 PRO 60 -5.146 -27.096 31.029 1.00 14.13 ATOM 955 C PRO 60 -3.997 -29.632 33.864 1.00 61.11 ATOM 956 O PRO 60 -5.210 -29.781 33.695 1.00 71.23 ATOM 957 N GLY 61 -3.245 -30.532 34.497 1.00 43.14 ATOM 958 HN GLY 61 -2.280 -30.366 34.596 1.00 37.60 ATOM 959 CA GLY 61 -3.826 -31.759 35.037 1.00 5.01 ATOM 960 HA1 GLY 61 -4.893 -31.625 35.150 1.00 37.60 ATOM 961 HA2 GLY 61 -3.397 -31.945 36.010 1.00 11.33 ATOM 962 C GLY 61 -3.578 -32.978 34.155 1.00 63.12 ATOM 963 O GLY 61 -4.241 -34.011 34.299 1.00 33.03 ATOM 964 N THR 62 -2.624 -32.865 33.237 1.00 15.44 ATOM 965 HN THR 62 -2.135 -32.013 33.157 1.00 37.60 ATOM 966 CA THR 62 -2.278 -33.975 32.340 1.00 11.11 ATOM 967 HA THR 62 -3.152 -34.606 32.241 1.00 53.34 ATOM 968 CB THR 62 -1.886 -33.468 30.932 1.00 31.10 ATOM 969 HB THR 62 -0.980 -32.881 31.015 1.00 74.01 ATOM 970 OG1 THR 62 -2.930 -32.641 30.392 1.00 3.14 ATOM 971 HG1 THR 62 -2.730 -31.714 30.586 1.00 61.51 ATOM 972 CG2 THR 62 -1.627 -34.632 29.983 1.00 74.22 ATOM 973 HG21 THR 62 -1.421 -34.251 28.994 1.00 31.15 ATOM 974 HG22 THR 62 -2.497 -35.271 29.949 1.00 21.22 ATOM 975 HG23 THR 62 -0.777 -35.200 30.333 1.00 1.12 ATOM 976 C THR 62 -1.126 -34.814 32.916 1.00 42.25 ATOM 977 O THR 62 -1.181 -36.046 32.925 1.00 2.04 ATOM 978 N ILE 63 -0.089 -34.142 33.408 1.00 61.34 ATOM 979 HN ILE 63 -0.091 -33.160 33.355 1.00 37.60 ATOM 980 CA ILE 63 1.059 -34.820 34.027 1.00 10.03 ATOM 981 HA ILE 63 1.287 -35.701 33.440 1.00 72.53 ATOM 982 CB ILE 63 2.314 -33.905 34.043 1.00 54.01 ATOM 983 HB ILE 63 2.093 -33.048 34.664 1.00 41.00 ATOM 984 CG1 ILE 63 2.650 -33.415 32.623 1.00 53.11 ATOM 985 HG11 ILE 63 3.482 -32.726 32.672 1.00 37.60 ATOM 986 HG12 ILE 63 1.792 -32.900 32.215 1.00 4.42 ATOM 987 CG2 ILE 63 3.511 -34.635 34.660 1.00 14.22 ATOM 988 HG21 ILE 63 3.277 -34.917 35.677 1.00 0.44 ATOM 989 HG22 ILE 63 4.373 -33.982 34.660 1.00 72.42 ATOM 990 HG23 ILE 63 3.733 -35.522 34.084 1.00 2.23 ATOM 991 CD1 ILE 63 3.022 -34.523 31.657 1.00 12.15 ATOM 992 HD11 ILE 63 3.246 -34.098 30.691 1.00 73.43 ATOM 993 HD12 ILE 63 2.196 -35.214 31.564 1.00 5.34 ATOM 994 HD13 ILE 63 3.890 -35.047 32.028 1.00 32.33 ATOM 995 C ILE 63 0.739 -35.246 35.469 1.00 41.13 ATOM 996 O ILE 63 0.637 -34.405 36.363 1.00 13.41 ATOM 997 N GLU 64 0.578 -36.550 35.690 1.00 74.52 ATOM 998 HN GLU 64 0.659 -37.174 34.937 1.00 37.60 ATOM 999 CA GLU 64 0.279 -37.077 37.028 1.00 2.31 ATOM 1000 HA GLU 64 -0.550 -36.509 37.429 1.00 12.12 ATOM 1001 CB GLU 64 -0.127 -38.558 36.943 1.00 25.14 ATOM 1002 HB1 GLU 64 0.695 -39.120 36.522 1.00 37.60 ATOM 1003 HB2 GLU 64 -0.983 -38.646 36.289 1.00 31.15 ATOM 1004 CG GLU 64 -0.491 -39.172 38.294 1.00 14.13 ATOM 1005 HG1 GLU 64 -1.388 -38.692 38.660 1.00 37.60 ATOM 1006 HG2 GLU 64 0.318 -38.989 38.988 1.00 52.02 ATOM 1007 CD GLU 64 -0.737 -40.672 38.221 1.00 53.10 ATOM 1008 OE1 GLU 64 0.195 -41.449 38.521 1.00 63.25 ATOM 1009 OE2 GLU 64 -1.862 -41.083 37.872 1.00 64.15 ATOM 1010 C GLU 64 1.486 -36.924 37.971 1.00 22.12 ATOM 1011 O GLU 64 1.430 -36.195 38.964 1.00 31.44 ATOM 1012 N LYS 65 2.575 -37.618 37.647 1.00 43.14 ATOM 1013 HN LYS 65 2.558 -38.170 36.836 1.00 37.60 ATOM 1014 CA LYS 65 3.800 -37.582 38.458 1.00 22.25 ATOM 1015 HA LYS 65 3.679 -36.815 39.213 1.00 24.01 ATOM 1016 CB LYS 65 4.021 -38.931 39.158 1.00 60.43 ATOM 1017 HB1 LYS 65 4.077 -39.706 38.407 1.00 37.60 ATOM 1018 HB2 LYS 65 3.177 -39.131 39.803 1.00 31.43 ATOM 1019 CG LYS 65 5.297 -38.987 40.002 1.00 64.34 ATOM 1020 HG1 LYS 65 5.249 -38.214 40.755 1.00 37.60 ATOM 1021 HG2 LYS 65 6.150 -38.810 39.361 1.00 33.33 ATOM 1022 CD LYS 65 5.470 -40.339 40.691 1.00 75.32 ATOM 1023 HD1 LYS 65 4.598 -40.537 41.299 1.00 37.60 ATOM 1024 HD2 LYS 65 6.346 -40.297 41.323 1.00 53.32 ATOM 1025 CE LYS 65 5.648 -41.476 39.689 1.00 45.24 ATOM 1026 HE1 LYS 65 6.604 -41.360 39.199 1.00 37.60 ATOM 1027 HE2 LYS 65 4.861 -41.424 38.951 1.00 74.11 ATOM 1028 NZ LYS 65 5.606 -42.806 40.351 1.00 12.11 ATOM 1029 HZ1 LYS 65 6.410 -42.907 41.001 1.00 3.05 ATOM 1030 HZ2 LYS 65 5.655 -43.563 39.642 1.00 23.33 ATOM 1031 HZ3 LYS 65 4.723 -42.911 40.892 1.00 14.43 ATOM 1032 C LYS 65 5.029 -37.243 37.604 1.00 20.44 ATOM 1033 O LYS 65 5.293 -37.894 36.592 1.00 72.20 ATOM 1034 N VAL 66 5.773 -36.228 38.026 1.00 64.41 ATOM 1035 HN VAL 66 5.483 -35.730 38.820 1.00 37.60 ATOM 1036 CA VAL 66 7.011 -35.829 37.352 1.00 53.43 ATOM 1037 HA VAL 66 7.221 -36.555 36.577 1.00 41.12 ATOM 1038 CB VAL 66 6.871 -34.432 36.692 1.00 63.23 ATOM 1039 HB VAL 66 6.062 -34.480 35.975 1.00 12.53 ATOM 1040 CG1 VAL 66 6.515 -33.372 37.734 1.00 15.12 ATOM 1041 HG11 VAL 66 5.565 -33.618 38.188 1.00 25.52 ATOM 1042 HG12 VAL 66 6.446 -32.404 37.259 1.00 14.31 ATOM 1043 HG13 VAL 66 7.281 -33.345 38.497 1.00 10.11 ATOM 1044 CG2 VAL 66 8.147 -34.048 35.941 1.00 11.51 ATOM 1045 HG21 VAL 66 8.349 -34.778 35.170 1.00 13.45 ATOM 1046 HG22 VAL 66 8.978 -34.017 36.632 1.00 52.53 ATOM 1047 HG23 VAL 66 8.022 -33.075 35.489 1.00 52.24 ATOM 1048 C VAL 66 8.184 -35.805 38.342 1.00 23.12 ATOM 1049 O VAL 66 8.008 -35.482 39.516 1.00 72.21 ATOM 1050 N TYR 67 9.372 -36.164 37.867 1.00 43.55 ATOM 1051 HN TYR 67 9.441 -36.460 36.935 1.00 37.60 ATOM 1052 CA TYR 67 10.585 -36.129 38.692 1.00 25.35 ATOM 1053 HA TYR 67 10.297 -36.309 39.719 1.00 62.02 ATOM 1054 CB TYR 67 11.554 -37.232 38.245 1.00 33.21 ATOM 1055 HB1 TYR 67 12.454 -37.174 38.841 1.00 37.60 ATOM 1056 HB2 TYR 67 11.810 -37.077 37.206 1.00 65.10 ATOM 1057 CG TYR 67 10.993 -38.638 38.382 1.00 70.13 ATOM 1058 CD1 TYR 67 10.175 -39.188 37.397 1.00 14.41 ATOM 1059 HD1 TYR 67 9.927 -38.597 36.528 1.00 41.21 ATOM 1060 CD2 TYR 67 11.289 -39.418 39.493 1.00 32.11 ATOM 1061 HD2 TYR 67 11.918 -39.008 40.267 1.00 72.40 ATOM 1062 CE1 TYR 67 9.676 -40.471 37.518 1.00 52.14 ATOM 1063 HE1 TYR 67 9.047 -40.880 36.739 1.00 54.54 ATOM 1064 CE2 TYR 67 10.793 -40.699 39.621 1.00 44.50 ATOM 1065 HE2 TYR 67 11.037 -41.286 40.493 1.00 11.50 ATOM 1066 CZ TYR 67 9.987 -41.222 38.632 1.00 74.23 ATOM 1067 OH TYR 67 9.490 -42.501 38.761 1.00 71.00 ATOM 1068 HH TYR 67 9.667 -42.997 37.952 1.00 15.33 ATOM 1069 C TYR 67 11.271 -34.754 38.595 1.00 72.43 ATOM 1070 O TYR 67 11.967 -34.472 37.617 1.00 74.10 ATOM 1071 N PRO 68 11.088 -33.879 39.608 1.00 14.25 ATOM 1072 CA PRO 68 11.623 -32.504 39.577 1.00 34.45 ATOM 1073 HA PRO 68 11.363 -32.003 38.655 1.00 55.04 ATOM 1074 CB PRO 68 10.902 -31.828 40.749 1.00 62.20 ATOM 1075 HB1 PRO 68 9.986 -31.373 40.400 1.00 37.60 ATOM 1076 HB2 PRO 68 11.540 -31.073 41.187 1.00 24.10 ATOM 1077 CG PRO 68 10.627 -32.938 41.706 1.00 63.02 ATOM 1078 HG1 PRO 68 9.761 -32.699 42.308 1.00 37.60 ATOM 1079 HG2 PRO 68 11.489 -33.102 42.338 1.00 21.33 ATOM 1080 CD PRO 68 10.356 -34.157 40.862 1.00 20.25 ATOM 1081 HD1 PRO 68 9.296 -34.259 40.674 1.00 37.60 ATOM 1082 HD2 PRO 68 10.740 -35.045 41.346 1.00 71.13 ATOM 1083 C PRO 68 13.147 -32.448 39.773 1.00 62.32 ATOM 1084 O PRO 68 13.813 -31.514 39.317 1.00 62.43 ATOM 1085 N GLU 69 13.691 -33.454 40.452 1.00 1.42 ATOM 1086 HN GLU 69 13.107 -34.162 40.795 1.00 37.60 ATOM 1087 CA GLU 69 15.134 -33.548 40.697 1.00 12.50 ATOM 1088 HA GLU 69 15.618 -32.762 40.132 1.00 45.44 ATOM 1089 CB GLU 69 15.424 -33.328 42.196 1.00 73.02 ATOM 1090 HB1 GLU 69 15.142 -32.317 42.455 1.00 37.60 ATOM 1091 HB2 GLU 69 16.485 -33.448 42.369 1.00 33.42 ATOM 1092 CG GLU 69 14.675 -34.285 43.126 1.00 51.22 ATOM 1093 HG1 GLU 69 15.115 -35.270 43.036 1.00 37.60 ATOM 1094 HG2 GLU 69 13.641 -34.330 42.816 1.00 11.43 ATOM 1095 CD GLU 69 14.728 -33.863 44.587 1.00 4.41 ATOM 1096 OE1 GLU 69 13.682 -33.428 45.122 1.00 0.35 ATOM 1097 OE2 GLU 69 15.808 -33.960 45.209 1.00 14.11 ATOM 1098 C GLU 69 15.680 -34.904 40.204 1.00 13.55 ATOM 1099 O GLU 69 15.954 -35.813 40.994 1.00 40.33 ATOM 1100 N PRO 70 15.818 -35.068 38.874 1.00 42.52 ATOM 1101 CA PRO 70 16.250 -36.340 38.274 1.00 21.35 ATOM 1102 HA PRO 70 15.644 -37.162 38.629 1.00 44.25 ATOM 1103 CB PRO 70 15.999 -36.127 36.774 1.00 12.14 ATOM 1104 HB1 PRO 70 15.016 -36.495 36.513 1.00 37.60 ATOM 1105 HB2 PRO 70 16.749 -36.654 36.198 1.00 53.03 ATOM 1106 CG PRO 70 16.097 -34.651 36.584 1.00 32.00 ATOM 1107 HG1 PRO 70 15.498 -34.346 35.737 1.00 37.60 ATOM 1108 HG2 PRO 70 17.130 -34.369 36.431 1.00 63.24 ATOM 1109 CD PRO 70 15.567 -34.033 37.850 1.00 32.51 ATOM 1110 HD1 PRO 70 14.509 -33.832 37.761 1.00 37.60 ATOM 1111 HD2 PRO 70 16.106 -33.123 38.081 1.00 14.53 ATOM 1112 C PRO 70 17.730 -36.651 38.545 1.00 42.00 ATOM 1113 O PRO 70 18.629 -35.960 38.059 1.00 4.34 ATOM 1114 N ARG 71 17.974 -37.688 39.339 1.00 63.24 ATOM 1115 HN ARG 71 17.215 -38.191 39.707 1.00 37.60 ATOM 1116 CA ARG 71 19.337 -38.099 39.688 1.00 34.11 ATOM 1117 HA ARG 71 19.987 -37.239 39.591 1.00 63.11 ATOM 1118 CB ARG 71 19.369 -38.591 41.142 1.00 52.31 ATOM 1119 HB1 ARG 71 20.400 -38.698 41.453 1.00 37.60 ATOM 1120 HB2 ARG 71 18.885 -39.556 41.195 1.00 5.20 ATOM 1121 CG ARG 71 18.669 -37.653 42.122 1.00 32.35 ATOM 1122 HG1 ARG 71 18.724 -38.083 43.112 1.00 37.60 ATOM 1123 HG2 ARG 71 17.633 -37.555 41.832 1.00 60.41 ATOM 1124 CD ARG 71 19.303 -36.266 42.151 1.00 33.53 ATOM 1125 HD1 ARG 71 19.276 -35.848 41.154 1.00 37.60 ATOM 1126 HD2 ARG 71 20.332 -36.358 42.472 1.00 32.53 ATOM 1127 NE ARG 71 18.604 -35.363 43.062 1.00 33.15 ATOM 1128 HE ARG 71 17.818 -35.712 43.529 1.00 22.43 ATOM 1129 CZ ARG 71 18.954 -34.125 43.281 1.00 14.42 ATOM 1130 NH1 ARG 71 19.995 -33.618 42.702 1.00 50.34 ATOM 1131 HH11 ARG 71 20.538 -34.174 42.074 1.00 31.00 ATOM 1132 HH12 ARG 71 20.259 -32.676 42.888 1.00 44.02 ATOM 1133 NH2 ARG 71 18.260 -33.396 44.086 1.00 43.31 ATOM 1134 HH21 ARG 71 17.454 -33.778 44.536 1.00 54.11 ATOM 1135 HH22 ARG 71 18.527 -32.450 44.257 1.00 61.14 ATOM 1136 C ARG 71 19.831 -39.207 38.747 1.00 5.35 ATOM 1137 O ARG 71 21.006 -39.257 38.379 1.00 11.54 ATOM 1138 N SER 72 18.917 -40.090 38.359 1.00 21.42 ATOM 1139 HN SER 72 17.994 -39.980 38.670 1.00 37.60 ATOM 1140 CA SER 72 19.239 -41.218 37.477 1.00 75.42 ATOM 1141 HA SER 72 20.315 -41.296 37.406 1.00 13.40 ATOM 1142 CB SER 72 18.684 -42.522 38.064 1.00 60.31 ATOM 1143 HB1 SER 72 19.029 -43.358 37.471 1.00 37.60 ATOM 1144 HB2 SER 72 17.604 -42.493 38.050 1.00 71.50 ATOM 1145 OG SER 72 19.113 -42.708 39.404 1.00 51.12 ATOM 1146 HG SER 72 18.406 -42.437 40.004 1.00 5.44 ATOM 1147 C SER 72 18.663 -41.006 36.071 1.00 54.43 ATOM 1148 O SER 72 17.702 -40.255 35.887 1.00 14.04 ATOM 1149 N GLU 73 19.243 -41.694 35.089 1.00 72.41 ATOM 1150 HN GLU 73 19.976 -42.309 35.312 1.00 37.60 ATOM 1151 CA GLU 73 18.828 -41.566 33.683 1.00 1.13 ATOM 1152 HA GLU 73 19.013 -40.546 33.378 1.00 13.23 ATOM 1153 CB GLU 73 19.670 -42.505 32.806 1.00 32.54 ATOM 1154 HB1 GLU 73 19.532 -43.522 33.148 1.00 37.60 ATOM 1155 HB2 GLU 73 20.712 -42.240 32.913 1.00 1.25 ATOM 1156 CG GLU 73 19.315 -42.449 31.325 1.00 10.14 ATOM 1157 HG1 GLU 73 19.532 -41.457 30.955 1.00 37.60 ATOM 1158 HG2 GLU 73 18.258 -42.647 31.213 1.00 4.34 ATOM 1159 CD GLU 73 20.090 -43.461 30.497 1.00 32.43 ATOM 1160 OE1 GLU 73 21.120 -43.090 29.894 1.00 75.31 ATOM 1161 OE2 GLU 73 19.685 -44.639 30.461 1.00 72.13 ATOM 1162 C GLU 73 17.329 -41.873 33.494 1.00 21.35 ATOM 1163 O GLU 73 16.616 -41.142 32.801 1.00 21.42 ATOM 1164 N SER 74 16.858 -42.953 34.121 1.00 21.53 ATOM 1165 HN SER 74 17.474 -43.496 34.655 1.00 37.60 ATOM 1166 CA SER 74 15.446 -43.363 34.024 1.00 43.31 ATOM 1167 HA SER 74 15.257 -43.632 32.993 1.00 1.32 ATOM 1168 CB SER 74 15.170 -44.588 34.909 1.00 12.23 ATOM 1169 HB1 SER 74 14.112 -44.810 34.896 1.00 37.60 ATOM 1170 HB2 SER 74 15.478 -44.374 35.922 1.00 42.51 ATOM 1171 OG SER 74 15.880 -45.732 34.453 1.00 34.01 ATOM 1172 HG SER 74 15.249 -46.380 34.105 1.00 51.12 ATOM 1173 C SER 74 14.489 -42.228 34.411 1.00 55.41 ATOM 1174 O SER 74 13.442 -42.055 33.787 1.00 73.42 ATOM 1175 N GLU 75 14.848 -41.455 35.437 1.00 23.23 ATOM 1176 HN GLU 75 15.690 -41.640 35.905 1.00 37.60 ATOM 1177 CA GLU 75 14.014 -40.331 35.882 1.00 10.22 ATOM 1178 HA GLU 75 13.033 -40.724 36.114 1.00 42.51 ATOM 1179 CB GLU 75 14.599 -39.693 37.150 1.00 45.03 ATOM 1180 HB1 GLU 75 13.995 -38.837 37.420 1.00 37.60 ATOM 1181 HB2 GLU 75 15.602 -39.358 36.937 1.00 12.52 ATOM 1182 CG GLU 75 14.658 -40.634 38.351 1.00 1.44 ATOM 1183 HG1 GLU 75 15.289 -41.477 38.100 1.00 37.60 ATOM 1184 HG2 GLU 75 13.659 -40.989 38.565 1.00 30.52 ATOM 1185 CD GLU 75 15.215 -39.960 39.597 1.00 5.03 ATOM 1186 OE1 GLU 75 14.434 -39.338 40.346 1.00 50.35 ATOM 1187 OE2 GLU 75 16.441 -40.037 39.826 1.00 52.14 ATOM 1188 C GLU 75 13.867 -39.271 34.774 1.00 64.24 ATOM 1189 O GLU 75 12.753 -38.883 34.417 1.00 63.50 ATOM 1190 N CYS 76 14.998 -38.821 34.224 1.00 20.43 ATOM 1191 HN CYS 76 15.856 -39.155 34.562 1.00 37.60 ATOM 1192 CA CYS 76 14.994 -37.835 33.129 1.00 1.15 ATOM 1193 HA CYS 76 14.539 -36.928 33.504 1.00 63.34 ATOM 1194 CB CYS 76 16.429 -37.520 32.676 1.00 21.31 ATOM 1195 HB1 CYS 76 16.400 -36.736 31.932 1.00 37.60 ATOM 1196 HB2 CYS 76 16.867 -38.406 32.241 1.00 24.00 ATOM 1197 SG CYS 76 17.527 -36.967 34.002 1.00 75.41 ATOM 1198 HG CYS 76 17.751 -35.665 33.844 1.00 41.12 ATOM 1199 C CYS 76 14.173 -38.340 31.931 1.00 15.13 ATOM 1200 O CYS 76 13.297 -37.639 31.418 1.00 44.14 ATOM 1201 N LEU 77 14.454 -39.573 31.500 1.00 63.41 ATOM 1202 HN LEU 77 15.171 -40.078 31.942 1.00 37.60 ATOM 1203 CA LEU 77 13.724 -40.195 30.388 1.00 42.54 ATOM 1204 HA LEU 77 13.856 -39.567 29.519 1.00 52.34 ATOM 1205 CB LEU 77 14.295 -41.587 30.082 1.00 31.23 ATOM 1206 HB1 LEU 77 13.670 -42.052 29.331 1.00 37.60 ATOM 1207 HB2 LEU 77 14.239 -42.179 30.986 1.00 21.33 ATOM 1208 CG LEU 77 15.748 -41.612 29.579 1.00 61.31 ATOM 1209 HG LEU 77 16.387 -41.158 30.325 1.00 24.24 ATOM 1210 CD1 LEU 77 16.221 -43.049 29.373 1.00 63.02 ATOM 1211 HD11 LEU 77 15.600 -43.534 28.632 1.00 63.32 ATOM 1212 HD12 LEU 77 16.150 -43.588 30.307 1.00 1.44 ATOM 1213 HD13 LEU 77 17.249 -43.048 29.039 1.00 51.34 ATOM 1214 CD2 LEU 77 15.888 -40.807 28.287 1.00 31.11 ATOM 1215 HD21 LEU 77 16.913 -40.847 27.945 1.00 21.23 ATOM 1216 HD22 LEU 77 15.613 -39.778 28.470 1.00 21.31 ATOM 1217 HD23 LEU 77 15.239 -41.222 27.529 1.00 34.25 ATOM 1218 C LEU 77 12.221 -40.305 30.688 1.00 32.34 ATOM 1219 O LEU 77 11.387 -40.086 29.808 1.00 62.41 ATOM 1220 N SER 78 11.882 -40.640 31.936 1.00 11.22 ATOM 1221 HN SER 78 12.591 -40.809 32.593 1.00 37.60 ATOM 1222 CA SER 78 10.478 -40.769 32.354 1.00 22.01 ATOM 1223 HA SER 78 10.019 -41.525 31.732 1.00 63.30 ATOM 1224 CB SER 78 10.380 -41.207 33.823 1.00 2.32 ATOM 1225 HB1 SER 78 10.813 -40.445 34.457 1.00 37.60 ATOM 1226 HB2 SER 78 10.921 -42.133 33.957 1.00 2.34 ATOM 1227 OG SER 78 9.028 -41.410 34.212 1.00 55.14 ATOM 1228 HG SER 78 8.551 -40.572 34.173 1.00 72.44 ATOM 1229 C SER 78 9.720 -39.453 32.162 1.00 15.33 ATOM 1230 O SER 78 8.599 -39.444 31.659 1.00 13.03 ATOM 1231 N ASN 79 10.341 -38.344 32.559 1.00 5.22 ATOM 1232 HN ASN 79 11.231 -38.416 32.969 1.00 37.60 ATOM 1233 CA ASN 79 9.730 -37.019 32.409 1.00 11.11 ATOM 1234 HA ASN 79 8.785 -37.031 32.937 1.00 2.32 ATOM 1235 CB ASN 79 10.630 -35.947 33.030 1.00 25.40 ATOM 1236 HB1 ASN 79 10.170 -34.977 32.898 1.00 37.60 ATOM 1237 HB2 ASN 79 11.587 -35.955 32.527 1.00 51.21 ATOM 1238 CG ASN 79 10.868 -36.166 34.513 1.00 22.21 ATOM 1239 OD1 ASN 79 10.041 -36.743 35.209 1.00 75.02 ATOM 1240 ND2 ASN 79 11.996 -35.699 35.011 1.00 43.51 ATOM 1241 HD21 ASN 79 12.616 -35.244 34.405 1.00 1.44 ATOM 1242 HD22 ASN 79 12.161 -35.820 35.967 1.00 5.01 ATOM 1243 C ASN 79 9.462 -36.689 30.929 1.00 4.53 ATOM 1244 O ASN 79 8.363 -36.264 30.565 1.00 50.33 ATOM 1245 N ILE 80 10.471 -36.889 30.080 1.00 23.03 ATOM 1246 HN ILE 80 11.336 -37.196 30.430 1.00 37.60 ATOM 1247 CA ILE 80 10.323 -36.651 28.637 1.00 5.43 ATOM 1248 HA ILE 80 10.064 -35.610 28.497 1.00 61.22 ATOM 1249 CB ILE 80 11.639 -36.936 27.868 1.00 10.51 ATOM 1250 HB ILE 80 11.869 -37.989 27.975 1.00 44.33 ATOM 1251 CG1 ILE 80 12.802 -36.111 28.443 1.00 54.14 ATOM 1252 HG11 ILE 80 12.923 -36.352 29.490 1.00 37.60 ATOM 1253 HG12 ILE 80 12.573 -35.060 28.347 1.00 14.42 ATOM 1254 CG2 ILE 80 11.463 -36.642 26.377 1.00 12.33 ATOM 1255 HG21 ILE 80 12.384 -36.860 25.855 1.00 45.24 ATOM 1256 HG22 ILE 80 11.212 -35.599 26.241 1.00 15.43 ATOM 1257 HG23 ILE 80 10.671 -37.257 25.977 1.00 75.15 ATOM 1258 CD1 ILE 80 14.130 -36.363 27.753 1.00 65.40 ATOM 1259 HD11 ILE 80 14.894 -35.751 28.209 1.00 54.23 ATOM 1260 HD12 ILE 80 14.047 -36.110 26.706 1.00 52.15 ATOM 1261 HD13 ILE 80 14.398 -37.405 27.852 1.00 53.50 ATOM 1262 C ILE 80 9.206 -37.527 28.043 1.00 14.45 ATOM 1263 O ILE 80 8.317 -37.038 27.345 1.00 4.31 ATOM 1264 N ARG 81 9.258 -38.825 28.337 1.00 0.54 ATOM 1265 HN ARG 81 9.986 -39.154 28.907 1.00 37.60 ATOM 1266 CA ARG 81 8.258 -39.776 27.840 1.00 23.24 ATOM 1267 HA ARG 81 8.204 -39.658 26.766 1.00 53.22 ATOM 1268 CB ARG 81 8.699 -41.213 28.152 1.00 4.04 ATOM 1269 HB1 ARG 81 7.929 -41.895 27.822 1.00 37.60 ATOM 1270 HB2 ARG 81 8.828 -41.316 29.220 1.00 32.20 ATOM 1271 CG ARG 81 10.007 -41.600 27.468 1.00 45.43 ATOM 1272 HG1 ARG 81 10.768 -40.880 27.740 1.00 37.60 ATOM 1273 HG2 ARG 81 9.860 -41.577 26.398 1.00 24.02 ATOM 1274 CD ARG 81 10.482 -42.994 27.865 1.00 55.33 ATOM 1275 HD1 ARG 81 9.739 -43.716 27.560 1.00 37.60 ATOM 1276 HD2 ARG 81 10.600 -43.029 28.940 1.00 42.30 ATOM 1277 NE ARG 81 11.759 -43.326 27.234 1.00 72.11 ATOM 1278 HE ARG 81 12.056 -42.761 26.493 1.00 3.43 ATOM 1279 CZ ARG 81 12.533 -44.310 27.604 1.00 31.31 ATOM 1280 NH1 ARG 81 12.159 -45.134 28.530 1.00 11.11 ATOM 1281 HH11 ARG 81 11.269 -45.025 28.967 1.00 12.41 ATOM 1282 HH12 ARG 81 12.760 -45.881 28.800 1.00 23.43 ATOM 1283 NH2 ARG 81 13.673 -44.483 27.017 1.00 2.24 ATOM 1284 HH21 ARG 81 13.954 -43.867 26.283 1.00 44.00 ATOM 1285 HH22 ARG 81 14.274 -45.226 27.304 1.00 15.04 ATOM 1286 C ARG 81 6.866 -39.491 28.424 1.00 34.15 ATOM 1287 O ARG 81 5.850 -39.796 27.802 1.00 10.34 ATOM 1288 N GLU 82 6.823 -38.897 29.616 1.00 34.14 ATOM 1289 HN GLU 82 7.659 -38.745 30.106 1.00 37.60 ATOM 1290 CA GLU 82 5.554 -38.474 30.220 1.00 54.02 ATOM 1291 HA GLU 82 4.865 -39.305 30.153 1.00 22.23 ATOM 1292 CB GLU 82 5.759 -38.110 31.698 1.00 32.11 ATOM 1293 HB1 GLU 82 6.399 -37.241 31.758 1.00 37.60 ATOM 1294 HB2 GLU 82 6.248 -38.937 32.194 1.00 13.41 ATOM 1295 CG GLU 82 4.464 -37.804 32.446 1.00 72.11 ATOM 1296 HG1 GLU 82 3.987 -36.953 31.980 1.00 37.60 ATOM 1297 HG2 GLU 82 4.706 -37.558 33.470 1.00 65.11 ATOM 1298 CD GLU 82 3.492 -38.974 32.443 1.00 44.44 ATOM 1299 OE1 GLU 82 2.489 -38.928 31.699 1.00 2.42 ATOM 1300 OE2 GLU 82 3.733 -39.951 33.179 1.00 34.32 ATOM 1301 C GLU 82 4.964 -37.281 29.452 1.00 62.41 ATOM 1302 O GLU 82 3.754 -37.189 29.251 1.00 61.34 ATOM 1303 N PHE 83 5.835 -36.368 29.022 1.00 23.23 ATOM 1304 HN PHE 83 6.773 -36.437 29.304 1.00 37.60 ATOM 1305 CA PHE 83 5.430 -35.259 28.149 1.00 52.25 ATOM 1306 HA PHE 83 4.644 -34.712 28.651 1.00 63.04 ATOM 1307 CB PHE 83 6.626 -34.321 27.908 1.00 53.14 ATOM 1308 HB1 PHE 83 7.447 -34.897 27.502 1.00 37.60 ATOM 1309 HB2 PHE 83 6.934 -33.895 28.853 1.00 52.25 ATOM 1310 CG PHE 83 6.345 -33.178 26.960 1.00 13.43 ATOM 1311 CD1 PHE 83 6.852 -33.188 25.666 1.00 10.43 ATOM 1312 HD1 PHE 83 7.449 -34.026 25.337 1.00 41.15 ATOM 1313 CD2 PHE 83 5.579 -32.093 27.365 1.00 42.13 ATOM 1314 HD2 PHE 83 5.178 -32.072 28.368 1.00 11.20 ATOM 1315 CE1 PHE 83 6.601 -32.140 24.800 1.00 3.43 ATOM 1316 HE1 PHE 83 7.002 -32.160 23.796 1.00 64.12 ATOM 1317 CE2 PHE 83 5.326 -31.044 26.501 1.00 2.02 ATOM 1318 HE2 PHE 83 4.728 -30.205 26.830 1.00 22.02 ATOM 1319 CZ PHE 83 5.838 -31.068 25.217 1.00 32.32 ATOM 1320 HZ PHE 83 5.642 -30.248 24.540 1.00 32.50 ATOM 1321 C PHE 83 4.888 -35.798 26.814 1.00 13.23 ATOM 1322 O PHE 83 3.856 -35.343 26.313 1.00 3.35 ATOM 1323 N LEU 84 5.591 -36.782 26.256 1.00 1.04 ATOM 1324 HN LEU 84 6.429 -37.063 26.683 1.00 37.60 ATOM 1325 CA LEU 84 5.160 -37.454 25.025 1.00 32.43 ATOM 1326 HA LEU 84 5.052 -36.703 24.255 1.00 44.31 ATOM 1327 CB LEU 84 6.224 -38.471 24.589 1.00 23.10 ATOM 1328 HB1 LEU 84 5.877 -38.961 23.689 1.00 37.60 ATOM 1329 HB2 LEU 84 6.317 -39.216 25.369 1.00 13.23 ATOM 1330 CG LEU 84 7.617 -37.884 24.311 1.00 53.25 ATOM 1331 HG LEU 84 7.960 -37.365 25.195 1.00 5.42 ATOM 1332 CD1 LEU 84 8.625 -38.990 24.003 1.00 71.20 ATOM 1333 HD11 LEU 84 8.304 -39.543 23.132 1.00 34.13 ATOM 1334 HD12 LEU 84 8.695 -39.661 24.848 1.00 2.52 ATOM 1335 HD13 LEU 84 9.594 -38.552 23.814 1.00 73.33 ATOM 1336 CD2 LEU 84 7.550 -36.873 23.171 1.00 51.04 ATOM 1337 HD21 LEU 84 6.889 -36.064 23.446 1.00 53.32 ATOM 1338 HD22 LEU 84 7.176 -37.355 22.278 1.00 43.52 ATOM 1339 HD23 LEU 84 8.538 -36.478 22.979 1.00 33.03 ATOM 1340 C LEU 84 3.813 -38.164 25.226 1.00 3.20 ATOM 1341 O LEU 84 2.934 -38.113 24.367 1.00 31.32 ATOM 1342 N ARG 85 3.669 -38.827 26.370 1.00 50.25 ATOM 1343 HN ARG 85 4.423 -38.857 26.995 1.00 37.60 ATOM 1344 CA ARG 85 2.430 -39.525 26.725 1.00 1.42 ATOM 1345 HA ARG 85 2.197 -40.208 25.920 1.00 54.34 ATOM 1346 CB ARG 85 2.650 -40.339 28.012 1.00 31.44 ATOM 1347 HB1 ARG 85 3.084 -39.688 28.762 1.00 37.60 ATOM 1348 HB2 ARG 85 3.352 -41.133 27.801 1.00 0.21 ATOM 1349 CG ARG 85 1.387 -40.966 28.600 1.00 73.34 ATOM 1350 HG1 ARG 85 0.793 -41.375 27.794 1.00 37.60 ATOM 1351 HG2 ARG 85 0.820 -40.203 29.114 1.00 70.31 ATOM 1352 CD ARG 85 1.722 -42.087 29.586 1.00 3.53 ATOM 1353 HD1 ARG 85 2.063 -42.947 29.026 1.00 37.60 ATOM 1354 HD2 ARG 85 0.824 -42.350 30.127 1.00 12.43 ATOM 1355 NE ARG 85 2.756 -41.702 30.551 1.00 42.12 ATOM 1356 HE ARG 85 2.581 -40.920 31.120 1.00 42.24 ATOM 1357 CZ ARG 85 3.888 -42.344 30.710 1.00 33.23 ATOM 1358 NH1 ARG 85 4.174 -43.369 29.969 1.00 60.33 ATOM 1359 HH11 ARG 85 3.535 -43.670 29.271 1.00 62.52 ATOM 1360 HH12 ARG 85 5.036 -43.854 30.102 1.00 10.40 ATOM 1361 NH2 ARG 85 4.731 -41.958 31.612 1.00 50.20 ATOM 1362 HH21 ARG 85 4.515 -41.169 32.189 1.00 32.15 ATOM 1363 HH22 ARG 85 5.597 -42.442 31.726 1.00 21.54 ATOM 1364 C ARG 85 1.260 -38.543 26.887 1.00 23.14 ATOM 1365 O ARG 85 0.211 -38.709 26.266 1.00 25.15 ATOM 1366 N GLY 86 1.456 -37.516 27.708 1.00 1.24 ATOM 1367 HN GLY 86 2.309 -37.445 28.186 1.00 37.60 ATOM 1368 CA GLY 86 0.424 -36.507 27.918 1.00 3.33 ATOM 1369 HA1 GLY 86 0.805 -35.762 28.601 1.00 37.60 ATOM 1370 HA2 GLY 86 -0.436 -36.980 28.367 1.00 74.10 ATOM 1371 C GLY 86 -0.012 -35.810 26.629 1.00 73.53 ATOM 1372 O GLY 86 -1.191 -35.846 26.259 1.00 61.51 ATOM 1373 N CYS 87 0.939 -35.181 25.939 1.00 65.41 ATOM 1374 HN CYS 87 1.855 -35.157 26.298 1.00 37.60 ATOM 1375 CA CYS 87 0.656 -34.513 24.661 1.00 41.34 ATOM 1376 HA CYS 87 -0.099 -33.760 24.841 1.00 44.43 ATOM 1377 CB CYS 87 1.918 -33.832 24.116 1.00 13.10 ATOM 1378 HB1 CYS 87 1.683 -33.352 23.176 1.00 37.60 ATOM 1379 HB2 CYS 87 2.680 -34.579 23.950 1.00 11.32 ATOM 1380 SG CYS 87 2.616 -32.579 25.212 1.00 12.33 ATOM 1381 HG CYS 87 3.915 -32.510 24.973 1.00 12.33 ATOM 1382 C CYS 87 0.124 -35.507 23.623 1.00 13.44 ATOM 1383 O CYS 87 -0.776 -35.189 22.848 1.00 50.35 ATOM 1384 N GLY 88 0.687 -36.713 23.625 1.00 44.22 ATOM 1385 HN GLY 88 1.401 -36.903 24.272 1.00 37.60 ATOM 1386 CA GLY 88 0.275 -37.751 22.686 1.00 13.14 ATOM 1387 HA1 GLY 88 1.020 -38.533 22.694 1.00 37.60 ATOM 1388 HA2 GLY 88 0.235 -37.326 21.694 1.00 52.15 ATOM 1389 C GLY 88 -1.084 -38.372 23.008 1.00 3.24 ATOM 1390 O GLY 88 -1.685 -39.024 22.158 1.00 73.41 ATOM 1391 N ALA 89 -1.560 -38.193 24.238 1.00 63.23 ATOM 1392 HN ALA 89 -1.003 -37.732 24.903 1.00 37.60 ATOM 1393 CA ALA 89 -2.883 -38.694 24.638 1.00 34.43 ATOM 1394 HA ALA 89 -3.113 -39.554 24.023 1.00 73.44 ATOM 1395 CB ALA 89 -2.852 -39.154 26.093 1.00 11.25 ATOM 1396 HB1 ALA 89 -2.072 -39.890 26.220 1.00 20.51 ATOM 1397 HB2 ALA 89 -3.804 -39.593 26.355 1.00 11.41 ATOM 1398 HB3 ALA 89 -2.657 -38.308 26.737 1.00 74.24 ATOM 1399 C ALA 89 -3.981 -37.635 24.438 1.00 11.55 ATOM 1400 O ALA 89 -5.027 -37.910 23.846 1.00 31.13 ATOM 1401 N SER 90 -3.734 -36.427 24.937 1.00 54.41 ATOM 1402 HN SER 90 -2.870 -36.264 25.374 1.00 37.60 ATOM 1403 CA SER 90 -4.716 -35.332 24.862 1.00 53.14 ATOM 1404 HA SER 90 -5.687 -35.744 25.099 1.00 25.25 ATOM 1405 CB SER 90 -4.374 -34.248 25.896 1.00 25.54 ATOM 1406 HB1 SER 90 -3.412 -33.816 25.656 1.00 37.60 ATOM 1407 HB2 SER 90 -4.329 -34.692 26.878 1.00 64.44 ATOM 1408 OG SER 90 -5.343 -33.213 25.918 1.00 71.25 ATOM 1409 HG SER 90 -5.360 -32.816 26.798 1.00 54.42 ATOM 1410 C SER 90 -4.777 -34.712 23.456 1.00 23.13 ATOM 1411 O SER 90 -5.851 -34.586 22.868 1.00 14.11 ATOM 1412 N LEU 91 -3.615 -34.336 22.918 1.00 45.25 ATOM 1413 HN LEU 91 -2.788 -34.508 23.413 1.00 37.60 ATOM 1414 CA LEU 91 -3.537 -33.666 21.609 1.00 51.15 ATOM 1415 HA LEU 91 -4.502 -33.221 21.410 1.00 31.24 ATOM 1416 CB LEU 91 -2.484 -32.547 21.664 1.00 42.12 ATOM 1417 HB1 LEU 91 -2.185 -32.310 20.652 1.00 37.60 ATOM 1418 HB2 LEU 91 -1.620 -32.924 22.194 1.00 54.53 ATOM 1419 CG LEU 91 -2.944 -31.245 22.347 1.00 43.12 ATOM 1420 HG LEU 91 -3.494 -31.488 23.245 1.00 53.15 ATOM 1421 CD1 LEU 91 -1.748 -30.385 22.748 1.00 74.25 ATOM 1422 HD11 LEU 91 -1.180 -30.120 21.868 1.00 14.00 ATOM 1423 HD12 LEU 91 -1.119 -30.940 23.428 1.00 44.40 ATOM 1424 HD13 LEU 91 -2.096 -29.486 23.236 1.00 70.35 ATOM 1425 CD2 LEU 91 -3.873 -30.463 21.418 1.00 64.15 ATOM 1426 HD21 LEU 91 -4.196 -29.556 21.909 1.00 42.51 ATOM 1427 HD22 LEU 91 -4.735 -31.068 21.177 1.00 25.45 ATOM 1428 HD23 LEU 91 -3.344 -30.211 20.507 1.00 2.30 ATOM 1429 C LEU 91 -3.210 -34.642 20.464 1.00 1.20 ATOM 1430 O LEU 91 -3.687 -34.470 19.342 1.00 3.21 ATOM 1431 N ARG 92 -2.400 -35.663 20.756 1.00 15.22 ATOM 1432 HN ARG 92 -2.110 -35.781 21.683 1.00 37.60 ATOM 1433 CA ARG 92 -1.941 -36.626 19.739 1.00 11.01 ATOM 1434 HA ARG 92 -1.270 -37.317 20.229 1.00 11.14 ATOM 1435 CB ARG 92 -3.130 -37.412 19.170 1.00 42.41 ATOM 1436 HB1 ARG 92 -2.760 -38.133 18.453 1.00 37.60 ATOM 1437 HB2 ARG 92 -3.795 -36.725 18.666 1.00 22.10 ATOM 1438 CG ARG 92 -3.925 -38.159 20.234 1.00 11.12 ATOM 1439 HG1 ARG 92 -4.366 -37.440 20.912 1.00 37.60 ATOM 1440 HG2 ARG 92 -3.257 -38.806 20.782 1.00 22.02 ATOM 1441 CD ARG 92 -5.031 -39.003 19.623 1.00 74.25 ATOM 1442 HD1 ARG 92 -5.719 -38.353 19.101 1.00 37.60 ATOM 1443 HD2 ARG 92 -5.554 -39.514 20.418 1.00 60.21 ATOM 1444 NE ARG 92 -4.507 -39.989 18.686 1.00 23.11 ATOM 1445 HE ARG 92 -3.756 -39.722 18.117 1.00 35.44 ATOM 1446 CZ ARG 92 -4.981 -41.192 18.549 1.00 63.34 ATOM 1447 NH1 ARG 92 -5.965 -41.605 19.287 1.00 45.30 ATOM 1448 HH11 ARG 92 -6.366 -41.002 19.971 1.00 35.13 ATOM 1449 HH12 ARG 92 -6.324 -42.530 19.160 1.00 34.24 ATOM 1450 NH2 ARG 92 -4.462 -41.986 17.676 1.00 24.52 ATOM 1451 HH21 ARG 92 -3.702 -41.672 17.108 1.00 0.21 ATOM 1452 HH22 ARG 92 -4.819 -42.913 17.572 1.00 60.14 ATOM 1453 C ARG 92 -1.167 -35.922 18.613 1.00 40.11 ATOM 1454 O ARG 92 -1.207 -36.333 17.451 1.00 13.12 ATOM 1455 N LEU 93 -0.443 -34.872 18.984 1.00 5.10 ATOM 1456 HN LEU 93 -0.418 -34.633 19.931 1.00 37.60 ATOM 1457 CA LEU 93 0.318 -34.059 18.030 1.00 73.13 ATOM 1458 HA LEU 93 -0.295 -33.930 17.149 1.00 13.50 ATOM 1459 CB LEU 93 0.584 -32.670 18.647 1.00 40.45 ATOM 1460 HB1 LEU 93 -0.355 -32.135 18.673 1.00 37.60 ATOM 1461 HB2 LEU 93 1.260 -32.134 17.994 1.00 64.23 ATOM 1462 CG LEU 93 1.180 -32.660 20.076 1.00 40.45 ATOM 1463 HG LEU 93 0.639 -33.374 20.683 1.00 23.22 ATOM 1464 CD1 LEU 93 2.651 -33.073 20.083 1.00 31.32 ATOM 1465 HD11 LEU 93 2.742 -34.088 19.726 1.00 61.44 ATOM 1466 HD12 LEU 93 3.039 -33.011 21.089 1.00 45.43 ATOM 1467 HD13 LEU 93 3.215 -32.412 19.439 1.00 12.10 ATOM 1468 CD2 LEU 93 1.010 -31.287 20.716 1.00 11.13 ATOM 1469 HD21 LEU 93 -0.039 -31.032 20.748 1.00 24.40 ATOM 1470 HD22 LEU 93 1.544 -30.547 20.136 1.00 63.15 ATOM 1471 HD23 LEU 93 1.404 -31.308 21.723 1.00 4.03 ATOM 1472 C LEU 93 1.637 -34.733 17.606 1.00 63.22 ATOM 1473 O LEU 93 1.920 -35.874 17.977 1.00 1.21 ATOM 1474 N GLU 94 2.438 -34.011 16.823 1.00 71.51 ATOM 1475 HN GLU 94 2.135 -33.133 16.519 1.00 37.60 ATOM 1476 CA GLU 94 3.753 -34.494 16.392 1.00 63.12 ATOM 1477 HA GLU 94 3.610 -35.430 15.868 1.00 12.42 ATOM 1478 CB GLU 94 4.390 -33.481 15.432 1.00 11.32 ATOM 1479 HB1 GLU 94 5.381 -33.825 15.165 1.00 37.60 ATOM 1480 HB2 GLU 94 4.477 -32.530 15.940 1.00 54.12 ATOM 1481 CG GLU 94 3.597 -33.266 14.148 1.00 42.52 ATOM 1482 HG1 GLU 94 4.070 -32.482 13.575 1.00 37.60 ATOM 1483 HG2 GLU 94 2.592 -32.961 14.407 1.00 20.22 ATOM 1484 CD GLU 94 3.521 -34.519 13.291 1.00 12.30 ATOM 1485 OE1 GLU 94 2.536 -35.275 13.412 1.00 42.42 ATOM 1486 OE2 GLU 94 4.454 -34.754 12.497 1.00 12.43 ATOM 1487 C GLU 94 4.687 -34.732 17.588 1.00 13.34 ATOM 1488 O GLU 94 5.280 -33.794 18.117 1.00 13.02 ATOM 1489 N THR 95 4.796 -35.983 18.022 1.00 63.15 ATOM 1490 HN THR 95 4.274 -36.685 17.580 1.00 37.60 ATOM 1491 CA THR 95 5.670 -36.343 19.148 1.00 71.22 ATOM 1492 HA THR 95 5.678 -35.510 19.841 1.00 24.33 ATOM 1493 CB THR 95 5.140 -37.590 19.904 1.00 3.22 ATOM 1494 HB THR 95 5.850 -37.851 20.678 1.00 51.30 ATOM 1495 OG1 THR 95 5.007 -38.700 19.004 1.00 31.31 ATOM 1496 HG1 THR 95 5.420 -39.483 19.395 1.00 73.03 ATOM 1497 CG2 THR 95 3.792 -37.302 20.560 1.00 0.41 ATOM 1498 HG21 THR 95 3.898 -36.489 21.264 1.00 2.01 ATOM 1499 HG22 THR 95 3.449 -38.185 21.082 1.00 72.31 ATOM 1500 HG23 THR 95 3.071 -37.031 19.803 1.00 22.34 ATOM 1501 C THR 95 7.112 -36.608 18.687 1.00 54.22 ATOM 1502 O THR 95 7.390 -36.707 17.488 1.00 71.50 ATOM 1503 N PHE 96 8.029 -36.716 19.646 1.00 24.31 ATOM 1504 HN PHE 96 7.751 -36.633 20.581 1.00 37.60 ATOM 1505 CA PHE 96 9.449 -36.959 19.349 1.00 5.34 ATOM 1506 HA PHE 96 9.525 -37.251 18.310 1.00 31.11 ATOM 1507 CB PHE 96 10.266 -35.673 19.559 1.00 10.23 ATOM 1508 HB1 PHE 96 9.893 -34.909 18.891 1.00 37.60 ATOM 1509 HB2 PHE 96 11.303 -35.870 19.319 1.00 71.30 ATOM 1510 CG PHE 96 10.213 -35.125 20.969 1.00 44.14 ATOM 1511 CD1 PHE 96 9.234 -34.214 21.340 1.00 75.12 ATOM 1512 HD1 PHE 96 8.501 -33.901 20.612 1.00 30.42 ATOM 1513 CD2 PHE 96 11.145 -35.518 21.921 1.00 34.35 ATOM 1514 HD2 PHE 96 11.915 -36.228 21.649 1.00 44.21 ATOM 1515 CE1 PHE 96 9.187 -33.705 22.624 1.00 3.12 ATOM 1516 HE1 PHE 96 8.418 -32.997 22.897 1.00 24.33 ATOM 1517 CE2 PHE 96 11.101 -35.012 23.205 1.00 22.41 ATOM 1518 HE2 PHE 96 11.833 -35.327 23.934 1.00 51.44 ATOM 1519 CZ PHE 96 10.121 -34.107 23.557 1.00 34.22 ATOM 1520 HZ PHE 96 10.087 -33.711 24.562 1.00 50.20 ATOM 1521 C PHE 96 10.015 -38.097 20.213 1.00 2.34 ATOM 1522 O PHE 96 9.308 -38.678 21.035 1.00 4.55 ATOM 1523 N ASP 97 11.292 -38.412 20.016 1.00 21.45 ATOM 1524 HN ASP 97 11.802 -37.925 19.340 1.00 37.60 ATOM 1525 CA ASP 97 11.956 -39.480 20.767 1.00 51.41 ATOM 1526 HA ASP 97 11.199 -40.176 21.104 1.00 32.44 ATOM 1527 CB ASP 97 12.931 -40.216 19.849 1.00 43.13 ATOM 1528 HB1 ASP 97 13.342 -41.067 20.376 1.00 37.60 ATOM 1529 HB2 ASP 97 13.735 -39.547 19.576 1.00 2.01 ATOM 1530 CG ASP 97 12.261 -40.707 18.579 1.00 15.41 ATOM 1531 OD1 ASP 97 11.849 -41.886 18.536 1.00 45.32 ATOM 1532 OD2 ASP 97 12.145 -39.912 17.618 1.00 13.45 ATOM 1533 C ASP 97 12.705 -38.926 21.994 1.00 3.03 ATOM 1534 O ASP 97 13.398 -37.909 21.906 1.00 51.34 ATOM 1535 N ALA 98 12.574 -39.608 23.133 1.00 31.24 ATOM 1536 HN ALA 98 12.026 -40.421 23.137 1.00 37.60 ATOM 1537 CA ALA 98 13.221 -39.173 24.380 1.00 31.25 ATOM 1538 HA ALA 98 12.881 -38.169 24.593 1.00 72.33 ATOM 1539 CB ALA 98 12.791 -40.067 25.537 1.00 24.34 ATOM 1540 HB1 ALA 98 13.197 -39.683 26.462 1.00 25.52 ATOM 1541 HB2 ALA 98 13.157 -41.071 25.374 1.00 65.53 ATOM 1542 HB3 ALA 98 11.712 -40.085 25.598 1.00 13.31 ATOM 1543 C ALA 98 14.752 -39.160 24.264 1.00 14.52 ATOM 1544 O ALA 98 15.405 -38.180 24.627 1.00 31.34 ATOM 1545 N ASN 99 15.318 -40.253 23.758 1.00 73.04 ATOM 1546 HN ASN 99 14.744 -41.002 23.490 1.00 37.60 ATOM 1547 CA ASN 99 16.772 -40.379 23.600 1.00 2.14 ATOM 1548 HA ASN 99 17.217 -40.301 24.584 1.00 70.13 ATOM 1549 CB ASN 99 17.119 -41.750 23.010 1.00 2.04 ATOM 1550 HB1 ASN 99 18.192 -41.830 22.910 1.00 37.60 ATOM 1551 HB2 ASN 99 16.665 -41.839 22.033 1.00 21.31 ATOM 1552 CG ASN 99 16.623 -42.905 23.869 1.00 54.05 ATOM 1553 OD1 ASN 99 15.618 -42.796 24.565 1.00 42.25 ATOM 1554 ND2 ASN 99 17.322 -44.018 23.831 1.00 51.51 ATOM 1555 HD21 ASN 99 18.120 -44.052 23.260 1.00 73.23 ATOM 1556 HD22 ASN 99 17.019 -44.767 24.381 1.00 1.42 ATOM 1557 C ASN 99 17.349 -39.265 22.708 1.00 10.24 ATOM 1558 O ASN 99 18.445 -38.763 22.957 1.00 35.43 ATOM 1559 N ASP 100 16.603 -38.883 21.673 1.00 22.32 ATOM 1560 HN ASP 100 15.752 -39.341 21.508 1.00 37.60 ATOM 1561 CA ASP 100 17.017 -37.811 20.759 1.00 4.10 ATOM 1562 HA ASP 100 17.971 -38.094 20.335 1.00 2.13 ATOM 1563 CB ASP 100 16.005 -37.679 19.620 1.00 14.10 ATOM 1564 HB1 ASP 100 16.196 -36.765 19.074 1.00 37.60 ATOM 1565 HB2 ASP 100 15.005 -37.646 20.032 1.00 33.43 ATOM 1566 CG ASP 100 16.091 -38.849 18.655 1.00 25.40 ATOM 1567 OD1 ASP 100 16.316 -38.616 17.453 1.00 43.42 ATOM 1568 OD2 ASP 100 15.956 -40.007 19.098 1.00 13.15 ATOM 1569 C ASP 100 17.194 -36.467 21.484 1.00 14.44 ATOM 1570 O ASP 100 18.093 -35.694 21.158 1.00 0.41 ATOM 1571 N LEU 101 16.340 -36.197 22.466 1.00 41.35 ATOM 1572 HN LEU 101 15.614 -36.830 22.653 1.00 37.60 ATOM 1573 CA LEU 101 16.450 -34.974 23.271 1.00 13.50 ATOM 1574 HA LEU 101 16.753 -34.171 22.614 1.00 43.12 ATOM 1575 CB LEU 101 15.086 -34.623 23.888 1.00 63.24 ATOM 1576 HB1 LEU 101 14.745 -35.473 24.461 1.00 37.60 ATOM 1577 HB2 LEU 101 14.385 -34.452 23.082 1.00 65.14 ATOM 1578 CG LEU 101 15.072 -33.390 24.808 1.00 42.54 ATOM 1579 HG LEU 101 15.736 -33.566 25.645 1.00 2.00 ATOM 1580 CD1 LEU 101 15.574 -32.152 24.070 1.00 3.31 ATOM 1581 HD11 LEU 101 15.512 -31.292 24.720 1.00 32.03 ATOM 1582 HD12 LEU 101 14.971 -31.984 23.189 1.00 24.34 ATOM 1583 HD13 LEU 101 16.603 -32.305 23.776 1.00 1.33 ATOM 1584 CD2 LEU 101 13.670 -33.158 25.364 1.00 54.20 ATOM 1585 HD21 LEU 101 13.345 -34.038 25.900 1.00 2.20 ATOM 1586 HD22 LEU 101 12.985 -32.957 24.552 1.00 4.55 ATOM 1587 HD23 LEU 101 13.684 -32.314 26.039 1.00 2.50 ATOM 1588 C LEU 101 17.506 -35.131 24.380 1.00 63.14 ATOM 1589 O LEU 101 18.367 -34.268 24.562 1.00 21.31 ATOM 1590 N TYR 102 17.443 -36.250 25.097 1.00 15.11 ATOM 1591 HN TYR 102 16.771 -36.921 24.862 1.00 37.60 ATOM 1592 CA TYR 102 18.336 -36.510 26.234 1.00 4.44 ATOM 1593 HA TYR 102 18.259 -35.667 26.907 1.00 75.13 ATOM 1594 CB TYR 102 17.874 -37.774 26.976 1.00 65.41 ATOM 1595 HB1 TYR 102 17.933 -38.619 26.304 1.00 37.60 ATOM 1596 HB2 TYR 102 16.846 -37.644 27.286 1.00 63.42 ATOM 1597 CG TYR 102 18.690 -38.098 28.215 1.00 32.22 ATOM 1598 CD1 TYR 102 18.648 -37.270 29.330 1.00 1.43 ATOM 1599 HD1 TYR 102 18.027 -36.383 29.304 1.00 53.03 ATOM 1600 CD2 TYR 102 19.495 -39.231 28.270 1.00 72.33 ATOM 1601 HD2 TYR 102 19.538 -39.886 27.410 1.00 61.24 ATOM 1602 CE1 TYR 102 19.386 -37.557 30.462 1.00 54.00 ATOM 1603 HE1 TYR 102 19.339 -36.899 31.317 1.00 65.20 ATOM 1604 CE2 TYR 102 20.236 -39.525 29.398 1.00 43.21 ATOM 1605 HE2 TYR 102 20.856 -40.410 29.420 1.00 71.42 ATOM 1606 CZ TYR 102 20.178 -38.687 30.493 1.00 72.14 ATOM 1607 OH TYR 102 20.914 -38.979 31.622 1.00 52.30 ATOM 1608 HH TYR 102 21.780 -39.308 31.363 1.00 44.23 ATOM 1609 C TYR 102 19.808 -36.653 25.799 1.00 43.12 ATOM 1610 O TYR 102 20.721 -36.312 26.548 1.00 62.33 ATOM 1611 N GLN 103 20.032 -37.172 24.594 1.00 35.32 ATOM 1612 HN GLN 103 19.268 -37.460 24.053 1.00 37.60 ATOM 1613 CA GLN 103 21.394 -37.338 24.056 1.00 72.32 ATOM 1614 HA GLN 103 22.091 -37.156 24.861 1.00 21.22 ATOM 1615 CB GLN 103 21.590 -38.776 23.555 1.00 2.31 ATOM 1616 HB1 GLN 103 22.559 -38.853 23.081 1.00 37.60 ATOM 1617 HB2 GLN 103 20.825 -38.998 22.823 1.00 33.55 ATOM 1618 CG GLN 103 21.514 -39.829 24.657 1.00 5.13 ATOM 1619 HG1 GLN 103 21.559 -40.808 24.204 1.00 37.60 ATOM 1620 HG2 GLN 103 20.572 -39.720 25.178 1.00 50.12 ATOM 1621 CD GLN 103 22.644 -39.707 25.668 1.00 31.04 ATOM 1622 OE1 GLN 103 23.704 -40.302 25.508 1.00 50.14 ATOM 1623 NE2 GLN 103 22.433 -38.930 26.711 1.00 45.35 ATOM 1624 HE21 GLN 103 21.572 -38.472 26.781 1.00 55.23 ATOM 1625 HE22 GLN 103 23.149 -38.843 27.374 1.00 60.33 ATOM 1626 C GLN 103 21.688 -36.343 22.922 1.00 44.33 ATOM 1627 O GLN 103 22.719 -36.442 22.251 1.00 73.43 ATOM 1628 N GLY 104 20.779 -35.389 22.713 1.00 14.15 ATOM 1629 HN GLY 104 19.986 -35.357 23.286 1.00 37.60 ATOM 1630 CA GLY 104 20.953 -34.381 21.667 1.00 33.22 ATOM 1631 HA1 GLY 104 21.791 -33.750 21.933 1.00 37.60 ATOM 1632 HA2 GLY 104 20.063 -33.770 21.629 1.00 20.11 ATOM 1633 C GLY 104 21.198 -34.965 20.275 1.00 41.41 ATOM 1634 O GLY 104 22.032 -34.461 19.522 1.00 65.24 ATOM 1635 N GLN 105 20.473 -36.028 19.932 1.00 51.44 ATOM 1636 HN GLN 105 19.823 -36.382 20.572 1.00 37.60 ATOM 1637 CA GLN 105 20.615 -36.679 18.622 1.00 44.00 ATOM 1638 HA GLN 105 21.672 -36.734 18.394 1.00 44.43 ATOM 1639 CB GLN 105 20.043 -38.106 18.669 1.00 64.04 ATOM 1640 HB1 GLN 105 20.204 -38.577 17.708 1.00 37.60 ATOM 1641 HB2 GLN 105 18.980 -38.049 18.853 1.00 75.41 ATOM 1642 CG GLN 105 20.665 -38.994 19.744 1.00 24.13 ATOM 1643 HG1 GLN 105 20.117 -39.927 19.780 1.00 37.60 ATOM 1644 HG2 GLN 105 20.578 -38.496 20.699 1.00 11.10 ATOM 1645 CD GLN 105 22.134 -39.307 19.500 1.00 45.04 ATOM 1646 OE1 GLN 105 22.868 -38.531 18.898 1.00 11.14 ATOM 1647 NE2 GLN 105 22.575 -40.449 19.974 1.00 1.34 ATOM 1648 HE21 GLN 105 21.948 -41.023 20.453 1.00 55.13 ATOM 1649 HE22 GLN 105 23.517 -40.671 19.831 1.00 51.22 ATOM 1650 C GLN 105 19.918 -35.863 17.524 1.00 63.34 ATOM 1651 O GLN 105 20.572 -35.221 16.702 1.00 50.31 ATOM 1652 N ASN 106 18.588 -35.886 17.516 1.00 1.42 ATOM 1653 HN ASN 106 18.118 -36.451 18.162 1.00 37.60 ATOM 1654 CA ASN 106 17.806 -35.088 16.568 1.00 13.22 ATOM 1655 HA ASN 106 18.499 -34.519 15.962 1.00 22.40 ATOM 1656 CB ASN 106 16.977 -35.992 15.653 1.00 44.42 ATOM 1657 HB1 ASN 106 16.357 -35.380 15.011 1.00 37.60 ATOM 1658 HB2 ASN 106 16.342 -36.620 16.264 1.00 34.43 ATOM 1659 CG ASN 106 17.835 -36.887 14.781 1.00 43.12 ATOM 1660 OD1 ASN 106 18.251 -36.501 13.692 1.00 32.25 ATOM 1661 ND2 ASN 106 18.080 -38.096 15.235 1.00 73.24 ATOM 1662 HD21 ASN 106 17.693 -38.353 16.099 1.00 70.32 ATOM 1663 HD22 ASN 106 18.640 -38.688 14.692 1.00 4.05 ATOM 1664 C ASN 106 16.889 -34.108 17.308 1.00 13.21 ATOM 1665 O ASN 106 15.724 -34.410 17.586 1.00 21.12 ATOM 1666 N PHE 107 17.426 -32.938 17.640 1.00 70.44 ATOM 1667 HN PHE 107 18.363 -32.760 17.404 1.00 37.60 ATOM 1668 CA PHE 107 16.657 -31.907 18.336 1.00 1.41 ATOM 1669 HA PHE 107 16.146 -32.380 19.163 1.00 14.02 ATOM 1670 CB PHE 107 17.591 -30.818 18.888 1.00 31.45 ATOM 1671 HB1 PHE 107 18.166 -30.396 18.075 1.00 37.60 ATOM 1672 HB2 PHE 107 18.268 -31.261 19.606 1.00 12.12 ATOM 1673 CG PHE 107 16.858 -29.694 19.575 1.00 5.22 ATOM 1674 CD1 PHE 107 16.339 -29.863 20.852 1.00 64.42 ATOM 1675 HD1 PHE 107 16.474 -30.807 21.360 1.00 60.33 ATOM 1676 CD2 PHE 107 16.674 -28.473 18.939 1.00 21.32 ATOM 1677 HD2 PHE 107 17.073 -28.327 17.946 1.00 44.15 ATOM 1678 CE1 PHE 107 15.654 -28.839 21.476 1.00 71.54 ATOM 1679 HE1 PHE 107 15.255 -28.983 22.470 1.00 61.23 ATOM 1680 CE2 PHE 107 15.992 -27.446 19.560 1.00 25.00 ATOM 1681 HE2 PHE 107 15.856 -26.502 19.054 1.00 20.11 ATOM 1682 CZ PHE 107 15.480 -27.631 20.829 1.00 41.13 ATOM 1683 HZ PHE 107 14.945 -26.831 21.318 1.00 31.24 ATOM 1684 C PHE 107 15.607 -31.286 17.404 1.00 45.12 ATOM 1685 O PHE 107 14.560 -30.827 17.855 1.00 75.10 ATOM 1686 N ASN 108 15.896 -31.281 16.104 1.00 43.00 ATOM 1687 HN ASN 108 16.767 -31.629 15.813 1.00 37.60 ATOM 1688 CA ASN 108 14.963 -30.757 15.097 1.00 32.13 ATOM 1689 HA ASN 108 14.879 -29.692 15.270 1.00 10.15 ATOM 1690 CB ASN 108 15.534 -30.973 13.686 1.00 3.35 ATOM 1691 HB1 ASN 108 16.366 -30.297 13.539 1.00 37.60 ATOM 1692 HB2 ASN 108 14.769 -30.751 12.956 1.00 44.33 ATOM 1693 CG ASN 108 16.021 -32.393 13.445 1.00 61.23 ATOM 1694 OD1 ASN 108 15.479 -33.355 13.980 1.00 11.31 ATOM 1695 ND2 ASN 108 17.060 -32.534 12.650 1.00 32.32 ATOM 1696 HD21 ASN 108 17.458 -31.726 12.259 1.00 25.03 ATOM 1697 HD22 ASN 108 17.395 -33.436 12.485 1.00 1.33 ATOM 1698 C ASN 108 13.554 -31.373 15.229 1.00 31.35 ATOM 1699 O ASN 108 12.551 -30.686 15.029 1.00 51.34 ATOM 1700 N LYS 109 13.482 -32.663 15.575 1.00 15.11 ATOM 1701 HN LYS 109 14.312 -33.179 15.667 1.00 37.60 ATOM 1702 CA LYS 109 12.190 -33.326 15.819 1.00 53.21 ATOM 1703 HA LYS 109 11.547 -33.109 14.976 1.00 2.44 ATOM 1704 CB LYS 109 12.370 -34.849 15.930 1.00 34.23 ATOM 1705 HB1 LYS 109 11.420 -35.294 16.197 1.00 37.60 ATOM 1706 HB2 LYS 109 13.086 -35.059 16.713 1.00 5.41 ATOM 1707 CG LYS 109 12.861 -35.510 14.645 1.00 12.51 ATOM 1708 HG1 LYS 109 13.862 -35.156 14.429 1.00 37.60 ATOM 1709 HG2 LYS 109 12.201 -35.234 13.835 1.00 2.54 ATOM 1710 CD LYS 109 12.888 -37.037 14.756 1.00 64.32 ATOM 1711 HD1 LYS 109 13.216 -37.449 13.813 1.00 37.60 ATOM 1712 HD2 LYS 109 11.888 -37.389 14.973 1.00 54.42 ATOM 1713 CE LYS 109 13.826 -37.518 15.858 1.00 3.12 ATOM 1714 HE1 LYS 109 13.419 -37.224 16.815 1.00 37.60 ATOM 1715 HE2 LYS 109 14.790 -37.053 15.723 1.00 31.13 ATOM 1716 NZ LYS 109 14.000 -38.995 15.842 1.00 11.01 ATOM 1717 HZ1 LYS 109 14.243 -39.318 14.883 1.00 13.41 ATOM 1718 HZ2 LYS 109 13.124 -39.466 16.147 1.00 34.33 ATOM 1719 HZ3 LYS 109 14.768 -39.271 16.491 1.00 31.03 ATOM 1720 C LYS 109 11.524 -32.788 17.096 1.00 43.10 ATOM 1721 O LYS 109 10.307 -32.610 17.151 1.00 2.13 ATOM 1722 N VAL 110 12.336 -32.536 18.120 1.00 32.15 ATOM 1723 HN VAL 110 13.292 -32.723 18.023 1.00 37.60 ATOM 1724 CA VAL 110 11.845 -31.979 19.385 1.00 13.22 ATOM 1725 HA VAL 110 11.039 -32.608 19.741 1.00 32.43 ATOM 1726 CB VAL 110 12.964 -31.955 20.460 1.00 34.31 ATOM 1727 HB VAL 110 13.725 -31.255 20.136 1.00 2.00 ATOM 1728 CG1 VAL 110 12.424 -31.469 21.806 1.00 62.11 ATOM 1729 HG11 VAL 110 13.222 -31.458 22.535 1.00 44.33 ATOM 1730 HG12 VAL 110 11.641 -32.134 22.142 1.00 4.25 ATOM 1731 HG13 VAL 110 12.024 -30.471 21.697 1.00 42.05 ATOM 1732 CG2 VAL 110 13.617 -33.330 20.593 1.00 21.30 ATOM 1733 HG21 VAL 110 12.873 -34.056 20.890 1.00 52.22 ATOM 1734 HG22 VAL 110 14.397 -33.290 21.340 1.00 12.12 ATOM 1735 HG23 VAL 110 14.044 -33.621 19.643 1.00 14.14 ATOM 1736 C VAL 110 11.316 -30.552 19.184 1.00 61.13 ATOM 1737 O VAL 110 10.243 -30.194 19.669 1.00 12.11 ATOM 1738 N LEU 111 12.080 -29.748 18.450 1.00 22.23 ATOM 1739 HN LEU 111 12.913 -30.101 18.081 1.00 37.60 ATOM 1740 CA LEU 111 11.724 -28.356 18.180 1.00 63.32 ATOM 1741 HA LEU 111 11.600 -27.859 19.132 1.00 3.34 ATOM 1742 CB LEU 111 12.859 -27.669 17.409 1.00 21.30 ATOM 1743 HB1 LEU 111 12.954 -28.151 16.446 1.00 37.60 ATOM 1744 HB2 LEU 111 13.779 -27.819 17.958 1.00 31.43 ATOM 1745 CG LEU 111 12.680 -26.161 17.176 1.00 3.44 ATOM 1746 HG LEU 111 11.770 -25.997 16.614 1.00 60.41 ATOM 1747 CD1 LEU 111 12.545 -25.423 18.507 1.00 50.33 ATOM 1748 HD11 LEU 111 12.436 -24.363 18.323 1.00 34.02 ATOM 1749 HD12 LEU 111 13.427 -25.594 19.108 1.00 61.21 ATOM 1750 HD13 LEU 111 11.675 -25.786 19.034 1.00 1.11 ATOM 1751 CD2 LEU 111 13.845 -25.604 16.360 1.00 75.21 ATOM 1752 HD21 LEU 111 13.885 -26.102 15.402 1.00 60.25 ATOM 1753 HD22 LEU 111 14.773 -25.771 16.890 1.00 43.23 ATOM 1754 HD23 LEU 111 13.705 -24.544 16.207 1.00 55.14 ATOM 1755 C LEU 111 10.408 -28.252 17.393 1.00 55.05 ATOM 1756 O LEU 111 9.510 -27.499 17.768 1.00 52.54 ATOM 1757 N SER 112 10.295 -29.018 16.305 1.00 42.40 ATOM 1758 HN SER 112 11.046 -29.594 16.046 1.00 37.60 ATOM 1759 CA SER 112 9.066 -29.027 15.493 1.00 44.32 ATOM 1760 HA SER 112 8.875 -28.010 15.182 1.00 21.14 ATOM 1761 CB SER 112 9.237 -29.905 14.245 1.00 54.43 ATOM 1762 HB1 SER 112 10.043 -29.516 13.638 1.00 37.60 ATOM 1763 HB2 SER 112 8.322 -29.897 13.671 1.00 51.24 ATOM 1764 OG SER 112 9.540 -31.246 14.595 1.00 61.32 ATOM 1765 HG SER 112 8.988 -31.843 14.080 1.00 40.42 ATOM 1766 C SER 112 7.867 -29.520 16.314 1.00 75.40 ATOM 1767 O SER 112 6.732 -29.084 16.102 1.00 32.04 ATOM 1768 N SER 113 8.127 -30.433 17.249 1.00 52.30 ATOM 1769 HN SER 113 9.030 -30.814 17.301 1.00 37.60 ATOM 1770 CA SER 113 7.099 -30.901 18.190 1.00 2.12 ATOM 1771 HA SER 113 6.272 -31.287 17.611 1.00 44.34 ATOM 1772 CB SER 113 7.648 -32.022 19.081 1.00 61.12 ATOM 1773 HB1 SER 113 8.524 -31.668 19.606 1.00 37.60 ATOM 1774 HB2 SER 113 7.917 -32.868 18.466 1.00 75.11 ATOM 1775 OG SER 113 6.684 -32.442 20.035 1.00 22.31 ATOM 1776 HG SER 113 5.973 -32.909 19.584 1.00 72.41 ATOM 1777 C SER 113 6.593 -29.753 19.072 1.00 73.44 ATOM 1778 O SER 113 5.385 -29.532 19.187 1.00 63.42 ATOM 1779 N LEU 114 7.524 -29.020 19.684 1.00 71.54 ATOM 1780 HN LEU 114 8.470 -29.267 19.578 1.00 37.60 ATOM 1781 CA LEU 114 7.179 -27.864 20.522 1.00 74.50 ATOM 1782 HA LEU 114 6.540 -28.218 21.320 1.00 15.10 ATOM 1783 CB LEU 114 8.447 -27.254 21.134 1.00 25.33 ATOM 1784 HB1 LEU 114 8.157 -26.402 21.734 1.00 37.60 ATOM 1785 HB2 LEU 114 9.076 -26.905 20.327 1.00 74.41 ATOM 1786 CG LEU 114 9.275 -28.203 22.016 1.00 61.51 ATOM 1787 HG LEU 114 9.592 -29.047 21.420 1.00 70.10 ATOM 1788 CD1 LEU 114 10.529 -27.503 22.532 1.00 51.11 ATOM 1789 HD11 LEU 114 11.130 -27.176 21.696 1.00 70.35 ATOM 1790 HD12 LEU 114 11.102 -28.189 23.138 1.00 35.21 ATOM 1791 HD13 LEU 114 10.247 -26.647 23.129 1.00 10.34 ATOM 1792 CD2 LEU 114 8.434 -28.739 23.177 1.00 45.41 ATOM 1793 HD21 LEU 114 9.038 -29.393 23.789 1.00 64.14 ATOM 1794 HD22 LEU 114 7.591 -29.292 22.788 1.00 43.42 ATOM 1795 HD23 LEU 114 8.078 -27.914 23.777 1.00 54.33 ATOM 1796 C LEU 114 6.416 -26.798 19.717 1.00 11.23 ATOM 1797 O LEU 114 5.415 -26.247 20.184 1.00 52.23 ATOM 1798 N VAL 115 6.892 -26.516 18.504 1.00 0.34 ATOM 1799 HN VAL 115 7.728 -26.939 18.211 1.00 37.60 ATOM 1800 CA VAL 115 6.204 -25.590 17.600 1.00 65.24 ATOM 1801 HA VAL 115 6.165 -24.622 18.084 1.00 71.23 ATOM 1802 CB VAL 115 6.962 -25.430 16.255 1.00 62.23 ATOM 1803 HB VAL 115 7.042 -26.406 15.794 1.00 14.51 ATOM 1804 CG1 VAL 115 6.193 -24.513 15.301 1.00 45.40 ATOM 1805 HG11 VAL 115 5.221 -24.938 15.095 1.00 64.14 ATOM 1806 HG12 VAL 115 6.743 -24.412 14.377 1.00 73.44 ATOM 1807 HG13 VAL 115 6.071 -23.539 15.754 1.00 11.53 ATOM 1808 CG2 VAL 115 8.375 -24.894 16.490 1.00 54.12 ATOM 1809 HG21 VAL 115 8.908 -25.556 17.158 1.00 52.02 ATOM 1810 HG22 VAL 115 8.321 -23.907 16.929 1.00 25.44 ATOM 1811 HG23 VAL 115 8.900 -24.838 15.547 1.00 41.20 ATOM 1812 C VAL 115 4.768 -26.064 17.329 1.00 41.41 ATOM 1813 O VAL 115 3.827 -25.274 17.372 1.00 54.13 ATOM 1814 N THR 116 4.607 -27.362 17.068 1.00 73.11 ATOM 1815 HN THR 116 5.400 -27.938 17.011 1.00 37.60 ATOM 1816 CA THR 116 3.275 -27.954 16.870 1.00 21.35 ATOM 1817 HA THR 116 2.802 -27.435 16.046 1.00 73.54 ATOM 1818 CB THR 116 3.358 -29.459 16.510 1.00 2.32 ATOM 1819 HB THR 116 3.896 -29.971 17.297 1.00 73.31 ATOM 1820 OG1 THR 116 4.072 -29.631 15.273 1.00 43.32 ATOM 1821 HG1 THR 116 5.020 -29.673 15.454 1.00 54.35 ATOM 1822 CG2 THR 116 1.966 -30.082 16.388 1.00 24.00 ATOM 1823 HG21 THR 116 1.438 -29.982 17.328 1.00 0.32 ATOM 1824 HG22 THR 116 2.059 -31.130 16.140 1.00 12.32 ATOM 1825 HG23 THR 116 1.411 -29.578 15.610 1.00 64.13 ATOM 1826 C THR 116 2.404 -27.786 18.122 1.00 31.01 ATOM 1827 O THR 116 1.224 -27.455 18.026 1.00 33.53 ATOM 1828 N LEU 117 2.998 -28.011 19.294 1.00 1.11 ATOM 1829 HN LEU 117 3.929 -28.322 19.303 1.00 37.60 ATOM 1830 CA LEU 117 2.304 -27.810 20.573 1.00 41.32 ATOM 1831 HA LEU 117 1.465 -28.490 20.603 1.00 64.33 ATOM 1832 CB LEU 117 3.251 -28.131 21.741 1.00 35.11 ATOM 1833 HB1 LEU 117 4.118 -27.491 21.656 1.00 37.60 ATOM 1834 HB2 LEU 117 3.576 -29.158 21.637 1.00 34.14 ATOM 1835 CG LEU 117 2.659 -27.954 23.152 1.00 1.10 ATOM 1836 HG LEU 117 2.318 -26.935 23.263 1.00 4.12 ATOM 1837 CD1 LEU 117 1.459 -28.872 23.364 1.00 43.53 ATOM 1838 HD11 LEU 117 1.770 -29.903 23.270 1.00 2.32 ATOM 1839 HD12 LEU 117 0.704 -28.656 22.622 1.00 24.32 ATOM 1840 HD13 LEU 117 1.049 -28.708 24.350 1.00 13.33 ATOM 1841 CD2 LEU 117 3.724 -28.209 24.217 1.00 61.14 ATOM 1842 HD21 LEU 117 4.520 -27.486 24.111 1.00 23.24 ATOM 1843 HD22 LEU 117 4.126 -29.205 24.098 1.00 0.34 ATOM 1844 HD23 LEU 117 3.283 -28.114 25.199 1.00 12.41 ATOM 1845 C LEU 117 1.781 -26.369 20.691 1.00 22.22 ATOM 1846 O LEU 117 0.675 -26.133 21.179 1.00 40.21 ATOM 1847 N ASN 118 2.586 -25.413 20.232 1.00 63.22 ATOM 1848 HN ASN 118 3.483 -25.661 19.918 1.00 37.60 ATOM 1849 CA ASN 118 2.182 -24.004 20.189 1.00 44.22 ATOM 1850 HA ASN 118 1.798 -23.742 21.165 1.00 73.01 ATOM 1851 CB ASN 118 3.404 -23.125 19.883 1.00 14.15 ATOM 1852 HB1 ASN 118 3.845 -23.447 18.949 1.00 37.60 ATOM 1853 HB2 ASN 118 4.132 -23.244 20.674 1.00 32.30 ATOM 1854 CG ASN 118 3.065 -21.648 19.765 1.00 33.32 ATOM 1855 OD1 ASN 118 2.801 -21.143 18.678 1.00 53.03 ATOM 1856 ND2 ASN 118 3.074 -20.941 20.877 1.00 51.21 ATOM 1857 HD21 ASN 118 3.299 -21.394 21.714 1.00 1.31 ATOM 1858 HD22 ASN 118 2.858 -19.989 20.815 1.00 33.41 ATOM 1859 C ASN 118 1.074 -23.774 19.144 1.00 12.04 ATOM 1860 O ASN 118 0.095 -23.083 19.409 1.00 53.20 ATOM 1861 N LYS 119 1.235 -24.373 17.965 1.00 42.10 ATOM 1862 HN LYS 119 2.026 -24.934 17.826 1.00 37.60 ATOM 1863 CA LYS 119 0.268 -24.222 16.864 1.00 33.40 ATOM 1864 HA LYS 119 0.203 -23.170 16.624 1.00 34.04 ATOM 1865 CB LYS 119 0.757 -24.982 15.624 1.00 4.42 ATOM 1866 HB1 LYS 119 -0.024 -24.966 14.877 1.00 37.60 ATOM 1867 HB2 LYS 119 0.950 -26.009 15.903 1.00 62.22 ATOM 1868 CG LYS 119 2.026 -24.411 14.997 1.00 23.34 ATOM 1869 HG1 LYS 119 2.784 -24.317 15.763 1.00 37.60 ATOM 1870 HG2 LYS 119 1.807 -23.436 14.586 1.00 23.21 ATOM 1871 CD LYS 119 2.558 -25.310 13.883 1.00 25.12 ATOM 1872 HD1 LYS 119 2.823 -26.269 14.304 1.00 37.60 ATOM 1873 HD2 LYS 119 3.438 -24.852 13.455 1.00 24.22 ATOM 1874 CE LYS 119 1.528 -25.523 12.778 1.00 2.23 ATOM 1875 HE1 LYS 119 1.337 -24.577 12.291 1.00 37.60 ATOM 1876 HE2 LYS 119 0.611 -25.891 13.217 1.00 53.51 ATOM 1877 NZ LYS 119 1.998 -26.501 11.764 1.00 34.41 ATOM 1878 HZ1 LYS 119 2.880 -26.169 11.327 1.00 12.44 ATOM 1879 HZ2 LYS 119 1.280 -26.622 11.021 1.00 12.11 ATOM 1880 HZ3 LYS 119 2.172 -27.425 12.210 1.00 71.24 ATOM 1881 C LYS 119 -1.135 -24.728 17.245 1.00 42.54 ATOM 1882 O LYS 119 -2.124 -24.000 17.118 1.00 21.23 ATOM 1883 N VAL 120 -1.213 -25.980 17.696 1.00 12.13 ATOM 1884 HN VAL 120 -0.388 -26.499 17.804 1.00 37.60 ATOM 1885 CA VAL 120 -2.500 -26.603 18.033 1.00 1.44 ATOM 1886 HA VAL 120 -3.118 -26.560 17.144 1.00 13.01 ATOM 1887 CB VAL 120 -2.329 -28.099 18.418 1.00 13.32 ATOM 1888 HB VAL 120 -3.303 -28.493 18.681 1.00 32.10 ATOM 1889 CG1 VAL 120 -1.805 -28.902 17.229 1.00 71.13 ATOM 1890 HG11 VAL 120 -0.831 -28.530 16.942 1.00 72.44 ATOM 1891 HG12 VAL 120 -2.486 -28.801 16.397 1.00 43.14 ATOM 1892 HG13 VAL 120 -1.725 -29.946 17.501 1.00 34.32 ATOM 1893 CG2 VAL 120 -1.406 -28.261 19.628 1.00 32.23 ATOM 1894 HG21 VAL 120 -1.833 -27.752 20.480 1.00 33.12 ATOM 1895 HG22 VAL 120 -0.438 -27.835 19.404 1.00 65.23 ATOM 1896 HG23 VAL 120 -1.291 -29.311 19.858 1.00 51.44 ATOM 1897 C VAL 120 -3.229 -25.851 19.161 1.00 11.34 ATOM 1898 O VAL 120 -4.430 -25.595 19.070 1.00 31.01 ATOM 1899 N THR 121 -2.502 -25.475 20.212 1.00 30.41 ATOM 1900 HN THR 121 -1.544 -25.686 20.231 1.00 37.60 ATOM 1901 CA THR 121 -3.100 -24.743 21.337 1.00 64.00 ATOM 1902 HA THR 121 -4.020 -25.250 21.603 1.00 53.32 ATOM 1903 CB THR 121 -2.180 -24.742 22.581 1.00 42.30 ATOM 1904 HB THR 121 -2.636 -24.131 23.348 1.00 63.10 ATOM 1905 OG1 THR 121 -0.899 -24.192 22.249 1.00 60.24 ATOM 1906 HG1 THR 121 -0.235 -24.890 22.271 1.00 44.33 ATOM 1907 CG2 THR 121 -2.004 -26.157 23.127 1.00 24.14 ATOM 1908 HG21 THR 121 -2.968 -26.563 23.397 1.00 34.33 ATOM 1909 HG22 THR 121 -1.368 -26.131 24.000 1.00 13.21 ATOM 1910 HG23 THR 121 -1.550 -26.782 22.371 1.00 14.15 ATOM 1911 C THR 121 -3.442 -23.299 20.948 1.00 24.03 ATOM 1912 O THR 121 -4.434 -22.742 21.420 1.00 62.11 ATOM 1913 N ALA 122 -2.629 -22.699 20.079 1.00 15.21 ATOM 1914 HN ALA 122 -1.802 -23.153 19.806 1.00 37.60 ATOM 1915 CA ALA 122 -2.930 -21.368 19.534 1.00 1.23 ATOM 1916 HA ALA 122 -3.055 -20.690 20.368 1.00 4.23 ATOM 1917 CB ALA 122 -1.776 -20.859 18.676 1.00 54.14 ATOM 1918 HB1 ALA 122 -1.993 -19.857 18.336 1.00 25.04 ATOM 1919 HB2 ALA 122 -1.646 -21.509 17.822 1.00 5.44 ATOM 1920 HB3 ALA 122 -0.868 -20.850 19.262 1.00 13.34 ATOM 1921 C ALA 122 -4.232 -21.394 18.723 1.00 53.42 ATOM 1922 O ALA 122 -4.991 -20.423 18.706 1.00 2.21 ATOM 1923 N ASP 123 -4.479 -22.516 18.051 1.00 55.24 ATOM 1924 HN ASP 123 -3.798 -23.223 18.045 1.00 37.60 ATOM 1925 CA ASP 123 -5.726 -22.722 17.313 1.00 15.33 ATOM 1926 HA ASP 123 -5.901 -21.844 16.707 1.00 31.20 ATOM 1927 CB ASP 123 -5.594 -23.945 16.396 1.00 4.03 ATOM 1928 HB1 ASP 123 -5.542 -24.839 17.003 1.00 37.60 ATOM 1929 HB2 ASP 123 -4.684 -23.858 15.819 1.00 10.32 ATOM 1930 CG ASP 123 -6.760 -24.077 15.434 1.00 1.44 ATOM 1931 OD1 ASP 123 -7.627 -24.952 15.647 1.00 23.34 ATOM 1932 OD2 ASP 123 -6.818 -23.299 14.460 1.00 44.31 ATOM 1933 C ASP 123 -6.908 -22.897 18.285 1.00 43.24 ATOM 1934 O ASP 123 -8.035 -22.483 18.001 1.00 44.34 ATOM 1935 N ILE 124 -6.637 -23.512 19.438 1.00 1.33 ATOM 1936 HN ILE 124 -5.734 -23.866 19.585 1.00 37.60 ATOM 1937 CA ILE 124 -7.649 -23.685 20.487 1.00 25.33 ATOM 1938 HA ILE 124 -8.548 -24.069 20.020 1.00 50.24 ATOM 1939 CB ILE 124 -7.183 -24.711 21.555 1.00 41.33 ATOM 1940 HB ILE 124 -6.258 -24.349 21.985 1.00 42.12 ATOM 1941 CG1 ILE 124 -6.932 -26.085 20.909 1.00 45.02 ATOM 1942 HG11 ILE 124 -6.214 -25.972 20.109 1.00 37.60 ATOM 1943 HG12 ILE 124 -7.859 -26.459 20.500 1.00 34.31 ATOM 1944 CG2 ILE 124 -8.211 -24.829 22.681 1.00 65.24 ATOM 1945 HG21 ILE 124 -7.861 -25.537 23.418 1.00 42.45 ATOM 1946 HG22 ILE 124 -9.154 -25.169 22.275 1.00 54.51 ATOM 1947 HG23 ILE 124 -8.350 -23.864 23.147 1.00 23.22 ATOM 1948 CD1 ILE 124 -6.399 -27.132 21.868 1.00 62.41 ATOM 1949 HD11 ILE 124 -7.108 -27.284 22.668 1.00 55.15 ATOM 1950 HD12 ILE 124 -5.457 -26.799 22.279 1.00 53.23 ATOM 1951 HD13 ILE 124 -6.250 -28.062 21.338 1.00 33.13 ATOM 1952 C ILE 124 -7.981 -22.346 21.171 1.00 21.34 ATOM 1953 O ILE 124 -9.140 -22.076 21.490 1.00 53.15 ATOM 1954 N GLY 125 -6.967 -21.501 21.381 1.00 1.00 ATOM 1955 HN GLY 125 -6.056 -21.774 21.142 1.00 37.60 ATOM 1956 CA GLY 125 -7.209 -20.182 21.964 1.00 34.23 ATOM 1957 HA1 GLY 125 -8.049 -20.253 22.642 1.00 37.60 ATOM 1958 HA2 GLY 125 -7.473 -19.503 21.167 1.00 42.11 ATOM 1959 C GLY 125 -6.018 -19.593 22.724 1.00 70.21 ATOM 1960 O GLY 125 -6.048 -19.490 23.953 1.00 71.01 ATOM 1961 N LEU 126 -4.970 -19.196 22.000 1.00 43.21 ATOM 1962 HN LEU 126 -4.952 -19.396 21.040 1.00 37.60 ATOM 1963 HA LEU 126 -4.043 -18.359 23.661 1.00 63.12 ATOM 1964 CB LEU 126 -2.516 -19.235 22.438 1.00 73.42 ATOM 1965 HB1 LEU 126 -1.709 -18.588 22.755 1.00 37.60 ATOM 1966 HB2 LEU 126 -2.384 -19.450 21.387 1.00 64.03 ATOM 1967 CG LEU 126 -2.405 -20.556 23.217 1.00 61.31 ATOM 1968 HG LEU 126 -3.147 -21.249 22.844 1.00 15.24 ATOM 1969 CD1 LEU 126 -1.031 -21.186 23.002 1.00 73.20 ATOM 1970 HD11 LEU 126 -0.263 -20.518 23.368 1.00 74.02 ATOM 1971 HD12 LEU 126 -0.880 -21.364 21.948 1.00 31.22 ATOM 1972 HD13 LEU 126 -0.977 -22.125 23.535 1.00 42.21 ATOM 1973 CD2 LEU 126 -2.672 -20.337 24.706 1.00 32.24 ATOM 1974 HD21 LEU 126 -2.548 -21.271 25.236 1.00 25.31 ATOM 1975 HD22 LEU 126 -3.683 -19.982 24.842 1.00 3.23 ATOM 1976 HD23 LEU 126 -1.978 -19.606 25.097 1.00 11.14 ATOM 1977 CA LEU 126 -3.837 -18.464 22.603 1.00 1.25 ATOM 1978 C LEU 126 -3.699 -17.054 21.997 1.00 43.23 ATOM 1979 OT1 LEU 126 -4.172 -16.081 22.629 1.00 37.60 ATOM 1980 OT2 LEU 126 -3.128 -16.926 20.890 1.00 37.60 ATOM 1981 OH2 TIP3 1 -1.451 -42.969 17.962 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -1.919 -43.571 18.583 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -2.015 -42.960 17.168 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -0.479 -38.466 16.030 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 0.344 -38.251 15.557 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -0.696 -37.648 16.516 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -10.397 -41.124 15.705 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -11.250 -41.429 15.388 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -10.490 -40.142 15.739 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -3.371 -46.002 17.128 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -2.559 -45.904 16.599 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -3.184 -45.498 17.950 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -4.823 -40.677 14.614 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -5.227 -41.554 14.777 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.087 -40.863 13.998 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -5.837 -43.089 15.500 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -6.046 -44.035 15.661 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -6.580 -42.608 15.913 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -6.378 -46.889 13.622 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -7.015 -46.790 12.909 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.897 -47.718 13.402 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -2.101 -39.049 11.915 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -1.318 -38.535 12.189 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.771 -39.606 11.178 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -2.391 -41.223 13.582 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -2.450 -40.496 12.923 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -1.422 -41.288 13.771 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -2.712 -44.795 19.549 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -3.413 -44.521 20.181 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -2.126 -45.375 20.082 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -10.612 -38.396 15.892 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.574 -37.917 16.742 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -10.560 -37.699 15.228 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -6.437 -39.066 16.063 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.002 -39.852 16.202 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -5.714 -39.399 15.485 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -2.945 -43.141 15.518 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -2.733 -42.520 14.784 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -3.899 -43.322 15.408 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -6.925 -44.955 23.898 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -6.755 -44.160 23.358 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -6.770 -45.697 23.286 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -6.836 -43.828 26.419 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -7.021 -44.333 25.593 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -6.104 -44.326 26.842 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -6.145 -40.480 29.048 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -5.376 -40.835 28.541 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -6.141 -39.517 28.843 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.505 -42.878 28.923 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.143 -41.966 28.912 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -7.459 -43.164 27.984 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -7.023 -45.560 33.082 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -7.435 -44.884 32.497 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -7.151 -46.407 32.595 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -5.356 -41.678 31.435 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.387 -42.650 31.395 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -5.616 -41.389 30.532 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.344 -47.514 31.252 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -7.772 -48.207 30.747 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.105 -46.835 30.577 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.117 -46.772 21.775 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.711 -47.151 21.095 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -5.282 -47.277 21.670 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -7.970 -43.446 31.590 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -7.934 -43.205 30.640 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -8.016 -42.588 32.054 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -7.268 -47.981 19.511 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -7.589 -48.888 19.471 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -6.375 -48.021 19.084 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -7.078 -39.428 24.463 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -6.386 -38.760 24.258 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -7.675 -38.970 25.097 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -1.154 -40.515 33.647 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -0.378 -39.934 33.502 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -1.869 -39.893 33.908 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -5.644 -41.646 25.240 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -6.214 -40.858 25.112 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -6.216 -42.286 25.717 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -5.106 -49.239 13.120 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -4.916 -49.782 13.893 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -4.692 -49.710 12.391 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.121 -36.407 34.871 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.365 -36.324 34.257 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.617 -35.569 34.754 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -7.933 -45.669 18.157 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.492 -45.827 17.292 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -7.870 -46.533 18.619 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -6.745 -45.580 29.429 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -7.189 -44.714 29.409 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -5.976 -45.465 28.836 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -8.454 -43.076 18.855 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -9.073 -43.132 19.591 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -8.332 -44.013 18.573 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -1.460 -43.403 30.078 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -1.734 -42.518 30.417 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -1.816 -44.032 30.746 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -4.234 -41.736 27.598 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -3.500 -42.379 27.552 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -4.578 -41.701 26.682 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -4.874 -44.420 21.186 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -5.267 -45.237 21.561 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -5.229 -43.699 21.755 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -7.923 -41.403 16.750 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -8.780 -41.369 16.257 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -8.107 -42.004 17.507 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -6.167 -42.559 22.686 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -6.611 -41.779 22.299 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -5.822 -42.234 23.548 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -7.200 -40.101 21.797 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.487 -39.247 21.418 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.214 -39.944 22.768 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -8.134 -38.894 18.252 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.369 -39.807 18.014 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.474 -38.635 17.571 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -9.640 -43.677 34.333 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -9.146 -43.164 33.672 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -8.941 -44.119 34.863 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.094 -45.803 16.093 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.176 -45.985 16.382 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.161 -46.239 15.209 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.760 -47.966 18.574 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.235 -48.083 19.389 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.215 -47.373 18.019 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -10.806 -36.529 25.620 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -11.570 -36.209 25.091 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -11.214 -37.057 26.340 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -2.575 -41.212 31.333 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.076 -41.114 32.172 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -3.493 -41.398 31.617 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.642 -46.824 36.399 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.159 -46.023 36.197 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -2.922 -47.067 37.303 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 0.322 -42.232 22.630 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -0.435 -41.676 22.408 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 0.714 -41.805 23.399 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -3.685 -47.954 21.187 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -3.365 -48.407 21.988 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -2.973 -47.317 20.979 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.674 -45.168 27.586 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -4.332 -46.024 27.302 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -3.885 -44.584 27.586 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -2.283 -43.698 27.491 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.484 -43.946 26.986 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -1.955 -43.561 28.408 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -5.641 -44.284 18.586 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -5.325 -44.474 19.494 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -6.347 -44.942 18.435 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.675 -44.179 32.886 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.851 -43.531 33.594 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -5.423 -44.813 32.953 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -5.825 -42.638 34.902 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -6.367 -42.059 34.346 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.471 -43.282 35.280 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.535 -37.828 28.192 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.148 -37.897 27.437 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.546 -36.878 28.419 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -8.216 -41.326 33.364 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -7.620 -40.587 33.116 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -9.019 -40.878 33.706 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.732 -37.525 20.593 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -7.143 -36.851 20.180 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -8.009 -38.088 19.840 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.274 -39.026 34.342 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -3.293 -38.072 34.574 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.653 -39.471 35.132 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.564 -45.467 40.504 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.318 -44.958 41.297 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -5.962 -45.125 39.806 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -10.347 -45.979 37.072 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -10.647 -45.159 37.522 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -10.889 -46.015 36.257 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -7.787 -46.317 37.914 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -7.786 -45.837 38.755 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.737 -46.322 37.640 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -2.912 -45.458 42.159 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -3.301 -46.365 42.196 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -3.692 -44.867 42.136 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.113 -41.643 42.408 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -2.322 -42.192 42.579 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -2.816 -40.726 42.600 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -4.681 -44.530 38.792 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -4.538 -44.510 37.819 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -4.226 -43.717 39.114 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.210 -47.857 42.042 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -4.831 -48.017 41.303 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -4.232 -48.671 42.551 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -11.003 -43.554 38.151 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -11.235 -43.040 38.924 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -10.827 -42.880 37.456 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -3.919 -44.245 36.180 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -3.085 -43.760 36.005 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.601 -43.712 35.725 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -3.587 -42.220 39.668 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.342 -41.839 40.534 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.941 -41.825 39.038 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.957 -48.036 39.837 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -6.316 -47.174 40.147 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.489 -48.244 39.054 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -3.520 -47.011 38.970 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -4.239 -47.598 39.271 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.921 -46.116 38.992 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -4.964 -43.576 41.932 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -4.466 -42.882 42.416 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.989 -43.251 41.021 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.954 -42.407 35.456 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -1.805 -42.036 36.357 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.596 -41.720 34.852 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -0.660 -44.318 33.949 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.424 -44.929 34.682 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -1.090 -43.562 34.401 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -0.338 -41.444 45.849 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -0.403 -42.302 46.275 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 0.612 -41.320 45.699 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.219 -45.872 40.029 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -1.843 -46.428 39.518 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -1.672 -45.736 40.885 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -1.012 -43.442 42.299 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -1.621 -44.212 42.342 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -0.117 -43.847 42.270 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -11.643 -45.543 34.672 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -11.863 -45.858 33.795 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -11.006 -44.815 34.515 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -3.129 -32.098 12.613 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.940 -32.515 12.296 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.419 -32.739 12.370 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 1.916 -37.600 14.718 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 2.483 -37.633 15.514 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 2.089 -36.701 14.333 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -5.729 -26.320 8.888 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -6.374 -26.518 9.595 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -4.875 -26.596 9.261 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -5.106 -35.099 13.993 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.561 -34.242 13.881 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -4.314 -34.885 14.534 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -0.498 -26.826 10.603 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -0.625 -27.770 10.386 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -1.388 -26.434 10.481 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -0.910 -29.463 9.915 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -0.093 -29.843 9.528 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -1.376 -29.060 9.142 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -7.609 -26.413 10.954 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -7.248 -25.571 11.326 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -8.537 -26.214 10.781 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -7.157 -28.903 12.110 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -7.194 -28.089 11.570 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -6.282 -28.862 12.545 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -14.267 -23.570 14.337 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -14.290 -22.665 13.972 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -13.324 -23.730 14.512 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -11.963 -19.666 11.442 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -11.045 -19.635 11.803 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -11.852 -20.045 10.540 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -4.665 -31.029 14.734 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -5.403 -31.619 14.479 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -3.895 -31.396 14.262 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -6.530 -32.660 13.561 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -6.966 -32.105 12.902 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -7.276 -32.999 14.120 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -8.724 -33.361 14.996 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -9.272 -34.147 15.191 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -9.113 -32.659 15.557 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.604 -21.756 13.910 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -4.648 -21.000 14.549 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -5.399 -22.297 14.126 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.809 -27.848 7.934 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -1.415 -27.529 7.097 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -2.170 -27.047 8.345 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -9.844 -24.314 17.098 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -9.087 -24.715 16.605 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -9.455 -23.531 17.525 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -10.152 -31.555 16.497 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -11.023 -31.464 16.064 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -9.830 -30.630 16.588 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -2.354 -29.458 12.336 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -1.914 -29.439 11.457 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -2.613 -30.399 12.452 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -13.521 -21.211 13.036 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -12.868 -21.155 13.763 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -13.186 -20.570 12.370 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -9.454 -25.016 13.573 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -8.718 -24.903 14.220 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -9.455 -25.975 13.379 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -3.126 -35.111 15.916 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.321 -35.530 16.269 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -3.829 -35.414 16.511 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -5.685 -24.064 7.381 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -6.139 -24.220 6.551 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -5.776 -24.916 7.871 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -12.838 -22.213 18.291 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -11.940 -21.884 18.533 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -12.752 -23.188 18.341 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -11.608 -24.238 15.031 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.006 -24.516 14.302 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -11.031 -24.252 15.830 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -4.555 -26.036 12.493 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -4.801 -26.816 13.025 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -5.359 -25.483 12.489 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -9.132 -29.010 16.808 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -8.524 -28.378 16.365 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -9.940 -28.482 16.986 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -8.920 -32.383 18.785 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -9.488 -32.235 17.996 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -8.065 -31.961 18.539 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -7.327 -27.585 15.342 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.363 -26.611 15.530 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -6.421 -27.732 15.031 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -10.606 -35.142 16.061 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.275 -34.611 16.526 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.293 -35.772 16.739 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.185 -35.807 19.070 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -5.483 -35.148 19.209 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -6.153 -35.988 18.105 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -9.974 -36.834 18.120 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -9.836 -36.198 18.851 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -9.307 -37.533 18.280 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -1.632 -24.766 7.760 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -2.030 -24.769 6.882 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -2.265 -24.256 8.309 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -3.118 -26.079 10.210 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -3.278 -25.165 9.898 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -3.555 -26.110 11.094 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -0.298 -26.837 5.841 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 0.355 -27.368 5.382 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 0.225 -26.309 6.479 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -3.662 -23.583 9.161 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -4.034 -23.049 9.896 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -4.384 -23.602 8.491 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -4.746 -28.604 13.490 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -4.751 -29.380 14.095 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -3.888 -28.682 13.013 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -9.321 -27.806 13.456 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -8.844 -28.335 12.784 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -8.717 -27.810 14.228 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -5.751 -36.367 16.407 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.982 -37.296 16.202 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -5.709 -35.933 15.531 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -12.803 -23.355 9.096 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -13.147 -24.118 8.630 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -13.385 -23.273 9.887 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -14.388 -23.187 11.316 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -14.843 -23.731 11.969 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -14.089 -22.404 11.825 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -6.521 -24.176 11.958 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -6.724 -23.836 12.865 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -5.945 -23.488 11.570 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -2.616 -40.147 16.484 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -3.063 -40.127 15.622 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -1.774 -39.657 16.329 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.744 -31.777 24.585 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.308 -32.652 24.634 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -11.675 -31.985 24.364 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.314 -27.950 26.081 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -9.854 -28.782 25.923 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -9.624 -27.354 26.443 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -15.184 -28.223 21.501 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -14.596 -27.640 20.972 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -15.548 -27.641 22.173 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -9.173 -38.337 29.414 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.376 -38.885 29.422 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.915 -37.539 29.922 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.982 -29.926 22.694 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.693 -29.257 22.710 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -10.180 -30.508 23.459 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -9.707 -34.717 19.942 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.196 -34.913 20.760 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -9.230 -33.950 19.540 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -14.667 -30.911 21.610 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -14.644 -31.158 20.680 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -14.974 -29.977 21.602 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -11.623 -26.489 24.199 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -11.284 -27.021 24.955 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -11.851 -27.160 23.522 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -6.341 -25.902 28.729 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -6.531 -26.824 29.033 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -5.415 -25.946 28.405 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -10.773 -31.251 20.475 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -10.002 -31.554 19.949 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -10.371 -30.754 21.228 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -10.119 -25.345 29.382 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -9.421 -25.118 30.032 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -10.823 -24.713 29.558 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -14.357 -19.779 21.377 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -13.541 -20.293 21.557 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -14.838 -20.327 20.716 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -8.678 -37.868 33.028 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -7.852 -38.385 32.932 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -8.608 -37.183 32.335 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -7.082 -30.862 17.431 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -7.706 -30.149 17.191 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -6.345 -30.751 16.821 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.973 -34.031 18.333 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.616 -34.051 19.055 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.132 -34.280 18.759 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -12.242 -28.335 22.251 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -12.927 -29.017 22.176 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -12.432 -27.727 21.508 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -7.457 -32.308 34.023 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -7.118 -32.298 34.948 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -7.311 -31.396 33.703 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -6.877 -31.072 30.263 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -7.022 -30.847 31.201 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.782 -31.209 29.909 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -9.495 -34.254 24.664 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -9.943 -35.071 24.969 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -9.092 -34.508 23.810 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -13.244 -31.666 17.666 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -12.725 -32.475 17.839 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -13.177 -31.544 16.697 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.055 -20.612 29.147 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -4.828 -20.024 29.008 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.445 -21.499 29.255 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -13.179 -32.409 23.391 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -13.849 -31.835 22.959 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -12.724 -32.846 22.643 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -6.967 -34.958 28.580 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -7.580 -34.433 28.021 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -6.218 -34.349 28.747 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.434 -29.491 19.072 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.873 -30.206 18.562 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.822 -29.968 19.667 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.622 -28.553 29.900 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -10.288 -28.126 29.339 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -9.725 -29.513 29.710 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.848 -32.279 32.135 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.128 -31.841 32.613 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.213 -32.904 32.781 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -15.191 -21.601 19.527 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -14.374 -21.824 19.031 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -15.721 -22.400 19.479 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -13.370 -26.329 20.633 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -13.252 -25.635 21.326 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -12.970 -25.933 19.834 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.695 -26.003 27.158 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -7.802 -25.880 27.532 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -9.298 -25.787 27.906 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -12.156 -21.417 21.631 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -11.625 -21.497 22.455 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -12.548 -22.298 21.521 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -6.905 -28.387 29.608 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -7.881 -28.402 29.699 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.645 -29.323 29.704 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -6.938 -22.367 31.252 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -6.085 -22.525 30.797 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -6.951 -21.404 31.403 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -12.252 -24.904 18.500 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -11.320 -24.904 18.200 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -12.740 -25.326 17.762 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -8.022 -36.178 30.850 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -7.553 -35.686 31.562 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -7.722 -35.740 30.024 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.831 -33.639 21.353 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -11.586 -32.731 21.059 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.107 -34.198 21.014 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -5.137 -32.853 28.944 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -5.684 -32.179 29.399 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -4.296 -32.864 29.458 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.625 -38.117 26.333 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.222 -37.463 25.907 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -9.163 -38.489 27.050 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -13.443 -25.894 16.247 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -14.331 -25.670 15.936 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -12.848 -25.416 15.631 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -11.675 -27.887 17.004 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -11.978 -28.400 17.793 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -12.396 -27.244 16.846 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.553 -31.324 29.559 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -9.816 -31.767 30.401 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.633 -32.020 28.887 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.620 -28.955 14.459 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.892 -28.512 13.977 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.623 -28.521 15.337 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.524 -31.417 15.039 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -12.286 -30.499 14.757 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.699 -31.880 14.213 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -8.405 -33.169 27.010 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -7.739 -32.658 26.535 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -8.954 -33.560 26.299 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -6.453 -39.418 32.501 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -5.765 -38.753 32.291 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -6.089 -40.252 32.132 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -6.753 -34.776 32.883 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -7.000 -33.873 33.154 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -5.862 -34.893 33.243 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.250 -39.681 34.312 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -11.163 -39.395 34.199 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.717 -38.926 33.961 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.313 -21.550 18.974 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -10.191 -21.601 19.940 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -9.427 -21.740 18.611 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -7.832 -24.893 30.825 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -7.550 -23.974 31.038 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -7.253 -25.152 30.077 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -4.195 -20.214 32.663 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -3.388 -19.914 32.227 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -3.875 -20.687 33.462 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -10.581 -22.127 23.782 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.887 -22.175 23.099 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -10.374 -22.877 24.389 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.706 -23.249 29.732 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -3.780 -23.427 29.964 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -4.958 -23.996 29.169 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -13.318 -22.471 24.306 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -12.374 -22.247 24.389 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -13.780 -21.627 24.494 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -12.881 -24.540 22.603 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -13.197 -23.820 23.197 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -12.396 -25.144 23.203 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.313 -35.298 22.253 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.144 -36.196 21.905 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -7.416 -34.951 22.463 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.316 -38.277 27.746 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -10.623 -38.234 28.444 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -11.979 -38.870 28.108 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -12.571 -35.151 23.956 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -12.228 -35.037 23.060 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -13.052 -34.323 24.132 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -7.396 -44.693 35.654 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -7.212 -45.257 34.870 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -7.445 -45.328 36.403 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -0.923 -34.278 41.938 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -1.537 -33.552 41.780 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -0.100 -33.833 42.231 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -3.233 -36.067 39.710 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -2.522 -36.484 40.240 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -3.311 -36.643 38.915 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -1.116 -36.902 41.268 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -0.183 -37.186 41.313 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -1.097 -35.966 41.588 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -5.267 -26.792 37.706 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -4.811 -27.309 38.411 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -6.198 -27.028 37.811 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.961 -31.457 39.136 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.534 -32.192 39.363 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.459 -31.778 38.350 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.616 -32.520 37.035 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.844 -33.030 36.234 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -8.640 -32.494 37.031 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.693 -30.683 38.732 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -6.322 -29.928 38.636 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.979 -31.131 39.536 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -5.156 -34.333 37.860 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -4.882 -33.931 38.707 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -4.747 -35.211 37.873 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -7.897 -20.395 34.558 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -7.250 -20.813 35.177 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -8.444 -21.154 34.244 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -10.464 -41.785 36.146 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -10.362 -40.967 35.625 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -10.269 -42.501 35.508 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.769 -32.407 36.713 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -6.273 -33.222 36.969 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -6.381 -31.709 37.281 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.734 -29.146 39.880 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -10.218 -28.896 40.670 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -10.189 -29.963 39.568 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -7.581 -29.854 32.722 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -7.950 -28.976 32.487 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -6.662 -29.656 33.017 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -7.528 -28.722 38.353 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.285 -28.798 38.982 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.942 -28.425 37.519 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -3.310 -25.036 36.978 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -4.014 -25.663 37.263 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -3.748 -24.466 36.340 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -4.077 -28.386 39.525 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -4.361 -29.290 39.304 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -3.173 -28.495 39.877 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.484 -27.249 32.081 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -9.049 -27.630 31.372 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -8.177 -26.392 31.705 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -3.754 -33.434 40.095 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -3.165 -33.033 39.422 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -3.515 -34.392 40.086 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -8.716 -22.791 33.607 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -8.151 -22.864 32.823 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -8.737 -23.702 33.971 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.549 -25.498 34.323 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.571 -26.143 33.594 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.516 -26.044 35.121 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.955 -21.370 36.142 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.439 -20.615 36.485 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -5.294 -21.928 35.710 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -8.605 -28.179 35.877 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.525 -28.462 35.812 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -8.130 -28.774 35.284 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.591 -33.901 34.580 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -9.348 -34.818 34.397 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.789 -33.389 34.344 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -1.375 -28.889 40.132 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -1.445 -29.740 40.601 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -1.362 -29.135 39.183 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.018 -31.944 38.565 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.259 -31.106 38.119 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -1.109 -32.133 38.240 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -1.936 -29.405 37.497 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -1.350 -29.698 36.747 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -2.354 -28.600 37.170 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -3.567 -37.380 37.394 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -3.852 -38.299 37.220 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -3.404 -37.006 36.505 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -0.535 -38.873 44.972 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -0.693 -39.747 45.382 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.093 -38.881 44.172 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -0.089 -41.117 41.232 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -0.459 -41.947 41.607 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -0.043 -41.291 40.263 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -1.760 -39.279 42.480 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -1.060 -39.781 42.017 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -1.738 -38.392 42.057 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -4.055 -40.051 36.743 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -3.249 -40.437 37.172 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -4.724 -40.743 36.832 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -1.078 -24.475 38.398 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -1.055 -25.197 39.038 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -1.892 -24.651 37.870 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -0.151 -16.809 -4.659 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -0.214 -16.397 -3.768 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -0.951 -16.495 -5.123 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -1.739 -12.923 -9.198 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -2.584 -12.975 -9.657 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.071 -12.932 -9.918 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -1.995 -13.388 -0.860 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -1.847 -12.601 -1.417 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.674 -13.895 -1.333 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 0.512 -10.711 -8.993 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -0.365 -10.378 -8.764 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 0.352 -11.304 -9.756 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -0.449 -14.184 -7.192 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -1.098 -14.854 -6.874 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -0.936 -13.700 -7.903 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 0.462 -19.432 -4.325 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 0.566 -19.394 -3.348 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 0.282 -18.498 -4.579 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -2.350 -15.928 -6.177 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -2.515 -16.899 -6.097 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -3.204 -15.528 -5.978 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -4.736 -22.109 11.221 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.965 -21.204 10.978 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -4.519 -22.050 12.182 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -2.426 -16.579 14.679 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -2.054 -17.355 14.201 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -3.328 -16.868 14.937 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -11.478 -20.978 9.104 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.988 -21.819 9.079 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -10.756 -21.123 8.491 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 0.284 -14.032 0.600 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -0.656 -13.963 0.329 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 0.731 -13.336 0.072 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 1.126 -17.099 13.278 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 1.019 -16.241 13.711 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 1.996 -17.039 12.838 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -0.221 -12.983 -4.708 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 0.645 -12.523 -4.772 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -0.315 -13.435 -5.570 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -6.998 -14.835 17.549 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -7.162 -15.521 16.872 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -7.209 -15.286 18.397 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -10.484 -15.884 12.906 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -11.330 -16.391 12.915 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -10.565 -15.307 12.145 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -9.531 -19.622 12.686 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -9.353 -18.981 13.400 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -9.268 -20.484 13.064 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -4.782 -19.902 15.855 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -4.922 -20.007 16.810 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -4.741 -18.932 15.726 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -9.147 -22.153 13.731 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -8.258 -22.381 14.092 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -9.441 -22.976 13.303 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -9.563 -17.650 14.754 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -10.451 -17.960 15.044 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -9.760 -16.915 14.126 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.049 -11.458 -2.671 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.806 -12.036 -3.436 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.523 -10.723 -3.071 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.246 -15.730 -2.142 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -4.158 -15.808 -1.846 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.984 -16.655 -2.358 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -2.738 -18.474 -5.352 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -2.633 -18.333 -4.389 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.656 -19.435 -5.458 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -0.302 -14.699 14.534 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -0.882 -15.400 14.176 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -0.733 -14.451 15.373 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -2.372 -18.295 -2.618 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -2.777 -19.149 -2.359 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -1.433 -18.385 -2.347 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -2.042 -22.605 14.503 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -2.136 -22.944 15.408 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -2.946 -22.303 14.266 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.511 -21.378 14.909 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -11.700 -22.244 15.303 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.632 -21.496 14.486 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -3.015 -12.508 21.958 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -3.351 -11.698 21.557 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.782 -12.863 22.461 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 1.186 -16.817 26.561 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 1.920 -16.178 26.463 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 0.751 -16.811 25.680 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -5.048 -16.239 28.454 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -4.363 -16.518 27.812 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -5.607 -15.629 27.949 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.326 -17.183 31.031 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 1.104 -16.645 30.763 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -0.167 -17.316 30.200 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -0.265 -20.813 30.736 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -0.800 -21.603 30.562 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -0.888 -20.069 30.601 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -14.281 -19.879 24.309 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -14.169 -18.953 24.602 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -14.499 -19.804 23.367 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.629 -12.326 18.677 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.964 -11.718 18.293 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -7.707 -13.038 18.020 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -5.306 -11.230 17.707 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -4.622 -10.677 17.325 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -4.886 -12.106 17.799 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 0.288 -12.179 24.876 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -0.086 -12.335 25.766 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 1.254 -12.173 25.022 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -3.865 -16.547 18.330 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -3.952 -15.578 18.366 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -3.711 -16.807 19.268 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -4.574 -13.859 18.172 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.761 -13.764 19.128 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -5.438 -14.150 17.789 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.276 -15.878 33.362 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.192 -15.561 33.533 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -3.249 -16.002 32.389 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -14.100 -17.083 24.429 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -14.474 -17.065 23.519 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -14.155 -16.173 24.724 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -10.188 -24.379 25.272 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -10.727 -25.089 24.866 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -9.621 -24.847 25.909 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -6.043 -18.763 29.121 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -5.812 -17.824 28.976 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.396 -18.786 30.023 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -7.525 -17.302 16.497 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.946 -17.615 17.315 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -8.210 -17.451 15.802 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -6.215 -13.762 20.496 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -6.829 -13.160 20.014 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -6.607 -14.649 20.370 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -5.223 -13.687 23.051 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -5.775 -13.539 22.251 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.839 -14.591 22.907 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -12.639 -17.466 12.935 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -12.576 -17.911 13.805 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -12.572 -18.198 12.287 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -6.936 -16.377 22.514 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -5.956 -16.335 22.588 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -7.241 -16.396 23.427 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -13.128 -19.441 17.701 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -13.108 -19.165 18.624 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -13.159 -20.416 17.743 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -2.891 -16.812 26.723 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -3.555 -17.483 26.424 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -2.639 -16.341 25.897 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -6.201 -14.277 25.605 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -6.809 -13.548 25.746 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -5.795 -14.085 24.737 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -15.128 -17.204 21.913 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -14.854 -18.122 21.691 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -15.771 -16.980 21.237 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.833 -17.196 15.904 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.509 -17.006 16.816 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -5.811 -17.203 15.995 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.025 -17.336 19.196 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -1.499 -17.230 18.359 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -1.739 -17.332 19.876 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 3.021 -15.178 18.058 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 2.487 -14.408 18.321 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 2.506 -15.947 18.385 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -6.798 -19.672 32.138 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -5.828 -19.782 32.304 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -7.218 -19.965 32.978 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -7.430 -16.261 19.844 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -7.970 -17.023 19.549 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -7.306 -16.414 20.809 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -11.994 -18.736 15.319 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -12.502 -18.753 16.160 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -11.787 -19.682 15.151 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -3.252 -16.322 30.621 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -3.985 -16.343 29.974 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -2.874 -17.226 30.584 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -2.348 -15.310 24.466 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.035 -15.597 23.813 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -2.444 -14.352 24.502 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -5.876 -15.252 33.443 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -6.500 -15.959 33.151 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -6.193 -14.459 33.000 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -2.102 -14.512 20.232 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -2.539 -15.352 20.517 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.461 -13.839 20.840 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -0.323 -13.701 18.166 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -1.002 -13.947 17.502 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -0.755 -13.894 19.021 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -2.317 -14.412 16.475 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -2.536 -15.189 15.917 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -3.131 -14.250 16.991 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -0.344 -13.134 22.369 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.281 -12.871 22.257 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -0.118 -12.835 23.280 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 3.193 -13.231 30.790 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 2.900 -13.099 31.698 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 2.902 -14.146 30.574 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -1.188 -18.640 13.232 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -0.320 -18.182 13.178 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -0.997 -19.546 12.943 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -0.758 -17.546 28.392 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -1.473 -17.322 27.761 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 0.067 -17.382 27.881 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.299 -14.559 28.396 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -2.444 -15.321 27.806 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.489 -14.907 29.283 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -5.026 -18.391 26.197 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -5.562 -18.814 26.883 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -5.354 -18.783 25.359 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -11.020 -18.961 20.754 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -11.348 -19.863 20.946 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -11.431 -18.412 21.431 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -9.044 -18.409 18.897 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -9.681 -18.495 19.643 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -9.349 -19.065 18.256 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -7.707 -17.163 32.815 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -8.533 -17.420 33.238 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -7.358 -18.000 32.445 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -3.230 -21.233 35.118 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -2.436 -21.581 35.583 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -3.510 -20.470 35.660 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -0.573 -16.704 33.609 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -1.456 -16.291 33.547 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -0.295 -16.813 32.673 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -5.595 -15.963 36.099 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -6.259 -16.680 36.123 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -5.709 -15.563 35.216 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -4.520 -19.082 36.423 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.914 -18.315 36.361 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -5.409 -18.691 36.296 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 1.307 -17.812 35.244 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 1.380 -17.415 36.138 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 0.616 -17.268 34.797 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -7.158 -18.250 36.087 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -7.736 -18.422 36.840 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -7.459 -18.892 35.403 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 17.495 -46.678 12.005 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 17.941 -47.194 11.323 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 16.535 -46.871 11.865 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.687 -44.119 17.007 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 1.855 -43.992 16.058 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 1.533 -43.212 17.348 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 16.176 -42.626 19.735 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 15.396 -43.054 19.323 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 16.025 -41.658 19.589 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 5.759 -39.988 15.242 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 6.597 -39.563 14.955 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 5.124 -39.778 14.520 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.917 -45.560 15.844 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 12.752 -45.856 16.760 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 13.061 -44.610 15.926 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 17.690 -46.745 14.785 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 17.639 -46.892 13.819 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 18.058 -45.854 14.866 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 5.873 -42.401 12.861 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 6.126 -41.694 12.257 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.895 -42.353 12.891 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 12.979 -46.878 13.450 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 12.092 -47.235 13.524 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 13.103 -46.373 14.286 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 1.944 -40.261 11.179 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 2.760 -39.776 10.921 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 2.267 -40.973 11.767 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 14.805 -39.787 10.227 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 14.609 -40.393 9.506 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 15.628 -39.333 9.943 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -0.894 -44.964 15.753 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -1.592 -44.284 15.642 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.362 -44.643 16.503 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 3.843 -38.623 16.683 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 4.149 -38.679 17.618 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 4.546 -39.085 16.177 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 10.326 -39.809 15.637 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 10.307 -40.745 15.413 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 10.879 -39.773 16.459 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 1.222 -43.964 14.194 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 0.485 -44.498 14.567 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 1.472 -44.436 13.391 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 3.921 -42.877 20.005 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 4.505 -43.032 19.232 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 4.349 -42.155 20.479 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 8.731 -44.323 16.472 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 8.115 -43.585 16.291 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 8.782 -44.796 15.638 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 15.170 -47.559 18.578 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 15.644 -48.046 17.866 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 14.735 -46.830 18.115 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 17.299 -38.713 9.746 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 17.667 -37.877 10.095 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 18.093 -39.234 9.505 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 13.892 -43.582 18.373 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 13.472 -44.447 18.537 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 13.135 -42.939 18.402 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 14.892 -47.272 11.556 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 14.258 -47.081 12.288 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 14.344 -47.648 10.863 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.958 -41.772 18.204 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 1.083 -41.593 19.143 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 0.022 -42.082 18.139 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 3.162 -41.919 13.154 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 2.621 -42.326 13.849 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 3.353 -41.018 13.498 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 0.540 -38.098 12.283 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 0.874 -38.045 13.200 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 0.997 -38.878 11.905 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 3.770 -39.288 13.560 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 3.084 -38.698 13.937 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 3.909 -38.946 12.652 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 6.764 -38.527 11.909 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 6.857 -37.553 11.964 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 7.312 -38.858 12.646 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 8.098 -38.841 14.366 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 8.180 -37.879 14.526 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 8.906 -39.220 14.780 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 14.695 -39.031 12.903 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 14.883 -38.091 12.676 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 14.484 -39.445 12.037 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -0.635 -40.705 10.256 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -0.530 -41.335 9.541 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 0.279 -40.544 10.573 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 9.461 -45.860 29.057 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 9.049 -46.744 29.159 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 9.042 -45.498 28.246 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 0.303 -44.657 26.595 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 1.264 -44.579 26.404 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 0.272 -45.015 27.506 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -1.335 -46.531 21.181 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -1.330 -47.216 21.880 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -0.580 -45.948 21.416 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 10.403 -49.402 28.978 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 9.519 -49.051 28.764 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 10.940 -49.202 28.183 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 7.452 -47.665 24.503 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 7.442 -47.929 23.578 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 8.381 -47.801 24.782 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 0.682 -44.918 22.053 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 0.583 -43.955 22.225 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 1.244 -44.960 21.250 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 12.513 -43.104 24.540 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 12.593 -43.994 24.143 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 11.918 -42.627 23.925 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 11.110 -43.669 20.457 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 11.374 -42.984 19.788 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 10.556 -44.294 19.946 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 17.068 -47.371 31.521 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 17.181 -48.311 31.763 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 17.473 -47.298 30.628 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 12.321 -47.971 23.162 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 12.796 -48.059 22.306 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 13.010 -48.165 23.836 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 11.311 -51.783 30.099 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.230 -51.513 31.033 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 10.993 -51.005 29.598 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 9.902 -45.238 24.880 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 10.019 -46.200 25.006 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 10.546 -45.010 24.186 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 5.605 -46.352 26.049 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 6.161 -46.820 25.383 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 5.481 -47.005 26.756 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 11.975 -45.244 22.960 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 12.086 -46.218 22.914 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 11.881 -44.968 22.031 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 2.928 -45.895 29.149 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 3.215 -45.950 30.096 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 1.950 -45.787 29.202 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 15.210 -53.367 31.341 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 14.818 -53.379 30.432 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 15.649 -54.222 31.418 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 11.764 -54.412 29.519 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 10.998 -54.932 29.775 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 11.510 -53.485 29.734 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 12.495 -46.031 18.552 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 11.530 -45.853 18.612 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 12.666 -46.652 19.274 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 5.041 -47.590 28.611 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 4.228 -47.070 28.812 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 4.738 -48.506 28.600 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 10.859 -42.052 22.664 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 9.937 -41.782 22.589 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 10.994 -42.662 21.900 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 9.489 -48.691 31.590 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 9.875 -49.309 32.234 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.968 -48.885 30.761 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 12.193 -48.908 26.857 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 12.805 -48.571 26.175 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 12.782 -49.325 27.517 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 0.233 -45.413 29.230 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 -0.319 -46.180 29.520 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 -0.231 -44.634 29.605 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 3.776 -46.100 31.692 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 4.324 -46.418 32.414 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 3.108 -45.516 32.136 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 10.213 -47.981 25.018 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 10.714 -48.364 25.764 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 10.812 -48.093 24.248 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 7.908 -48.088 29.323 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 6.950 -47.944 29.224 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 8.020 -48.341 30.260 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 6.472 -41.129 19.739 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 7.421 -40.967 19.680 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 6.306 -41.831 19.073 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 14.208 -46.934 29.136 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 14.350 -46.699 30.084 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 15.035 -46.640 28.689 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 -1.774 -48.274 23.305 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 -1.436 -49.066 23.734 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 -1.342 -47.531 23.795 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -1.554 -47.139 30.280 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -1.869 -46.463 30.924 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -1.920 -47.963 30.609 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 6.982 -43.765 31.194 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.867 -44.152 30.300 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 7.605 -44.372 31.635 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 3.062 -44.849 26.587 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 3.834 -45.179 26.094 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 3.103 -45.322 27.439 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 7.989 -45.075 26.816 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 7.192 -45.390 26.343 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 8.674 -45.007 26.109 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.637 -42.594 15.533 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.377 -41.653 15.643 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.472 -42.772 14.582 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 5.882 -43.259 18.101 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 6.036 -43.091 17.145 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 6.328 -44.111 18.269 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 8.996 -45.633 31.821 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 9.269 -45.638 30.880 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.162 -46.544 32.120 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 16.011 -49.844 26.621 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 15.432 -49.798 27.416 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 16.523 -50.652 26.748 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 4.482 -46.411 19.852 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 3.686 -45.843 19.777 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 4.128 -47.290 20.008 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 7.010 -45.401 19.604 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 6.145 -45.876 19.644 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 6.981 -44.800 20.356 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -3.918 -38.576 31.721 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -3.614 -38.756 32.632 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -3.437 -39.220 31.178 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 1.978 -44.653 33.058 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 2.275 -44.588 33.989 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 1.026 -44.436 33.100 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 8.318 -43.917 34.237 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 8.626 -44.315 33.405 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 8.531 -42.956 34.140 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 9.719 -45.380 18.806 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 9.522 -44.934 17.948 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 8.834 -45.609 19.157 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 -2.328 -45.167 31.978 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -3.224 -44.896 32.294 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -1.731 -44.942 32.731 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 6.251 -45.000 28.939 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 5.822 -45.861 28.790 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 6.852 -44.898 28.169 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 14.035 -48.115 34.672 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 13.795 -48.474 33.790 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 14.647 -48.780 35.041 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 17.974 -47.858 19.039 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 17.085 -47.507 19.204 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 17.917 -48.229 18.140 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.311 -50.714 32.724 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 10.949 -50.446 33.602 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 12.049 -51.329 32.948 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 10.492 -49.804 35.159 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 10.977 -49.054 35.567 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 9.918 -50.124 35.862 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 2.148 -44.870 19.647 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.704 -44.079 19.841 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 1.920 -44.772 18.696 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 14.133 -47.817 21.092 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 14.448 -47.806 20.162 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 14.943 -47.841 21.613 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 16.191 -46.027 27.590 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 16.458 -46.439 26.741 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 17.006 -46.072 28.143 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 18.594 -43.940 21.042 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 17.636 -44.000 20.899 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 18.884 -43.258 20.409 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 14.286 -48.369 25.027 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 14.736 -49.118 25.465 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 14.995 -47.708 24.907 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -0.285 -46.241 24.323 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 0.121 -45.742 23.583 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -0.126 -45.678 25.107 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 15.393 -50.647 30.948 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 15.394 -51.625 31.028 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 16.116 -50.359 31.548 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 14.090 -53.133 28.900 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 13.681 -52.308 28.613 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 13.332 -53.755 28.995 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 14.245 -49.650 28.681 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 14.582 -50.073 29.506 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 14.157 -48.700 28.920 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 0.409 -38.253 33.231 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 -0.062 -37.570 32.727 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 1.169 -38.512 32.640 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 2.057 -40.724 15.946 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 2.619 -39.970 16.206 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 1.645 -41.018 16.788 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 14.481 -45.690 39.913 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 14.394 -45.581 40.890 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 13.694 -46.225 39.660 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.560 -45.219 42.602 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 14.770 -44.266 42.665 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 15.309 -45.661 43.059 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 3.986 -42.801 42.612 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 3.462 -41.968 42.609 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 4.206 -42.945 43.566 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 4.608 -43.206 45.228 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 5.130 -43.909 45.623 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 4.788 -42.423 45.800 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 9.810 -44.154 42.883 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 10.554 -44.760 42.936 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 9.795 -43.716 43.765 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 13.457 -36.922 41.139 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 14.354 -36.569 41.258 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 13.606 -37.847 40.838 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 5.285 -41.144 46.886 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 4.893 -40.285 46.626 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 6.078 -40.897 47.398 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 -0.893 -43.960 38.059 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 -1.033 -44.400 38.918 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 -0.709 -43.025 38.291 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 16.734 -40.584 42.491 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.182 -41.396 42.497 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 16.634 -40.238 41.570 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.378 -47.143 38.953 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 11.482 -47.118 39.297 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.269 -47.406 38.018 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 16.858 -46.751 39.028 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 16.003 -46.455 39.409 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 17.464 -46.787 39.801 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 1.492 -45.730 39.489 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 1.640 -45.549 40.430 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 0.525 -45.869 39.425 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 8.238 -42.958 41.001 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 8.822 -43.380 41.673 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 8.829 -42.817 40.224 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 12.378 -41.931 46.706 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 12.657 -42.459 47.461 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 13.222 -41.718 46.240 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.861 -47.662 36.241 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 11.565 -46.767 36.021 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 12.689 -47.779 35.716 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 3.417 -46.429 37.673 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 2.688 -46.401 38.328 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 3.071 -45.923 36.911 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 2.316 -40.637 42.340 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 1.424 -40.908 42.025 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 2.171 -40.367 43.279 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 9.357 -44.538 36.669 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 9.164 -44.251 35.754 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 8.535 -44.955 36.961 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 1.627 -44.133 41.865 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 1.795 -43.641 41.032 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 2.411 -43.942 42.410 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 15.758 -50.214 35.361 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 15.472 -50.900 35.976 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 16.310 -49.607 35.919 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 9.914 -40.630 46.846 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 10.801 -41.042 46.903 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 10.044 -39.869 46.238 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 15.921 -44.156 38.153 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 16.597 -44.849 38.180 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 15.220 -44.490 38.746 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 2.034 -39.828 44.910 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 2.704 -39.369 45.447 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 1.232 -39.260 44.985 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 5.496 -45.005 38.614 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 6.003 -44.977 37.776 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 4.752 -45.620 38.419 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 -0.152 -45.735 36.204 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 -0.405 -45.070 36.891 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 -0.899 -46.373 36.208 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 3.244 -39.733 35.774 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 3.257 -39.901 34.792 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 4.085 -39.275 35.941 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 14.888 -42.546 42.036 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 14.288 -41.849 42.400 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 14.507 -42.757 41.176 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 2.352 -42.928 39.532 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.288 -43.756 39.024 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 1.702 -42.332 39.100 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.486 -44.811 36.084 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 7.045 -44.453 35.361 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 5.610 -44.898 35.686 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 2.352 -44.713 35.797 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 1.455 -45.095 35.937 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 2.249 -43.760 36.038 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 2.023 -42.114 36.520 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 1.280 -41.813 37.078 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 2.452 -41.283 36.222 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 22.112 -42.881 45.183 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 21.349 -42.699 45.777 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 21.974 -42.273 44.424 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 20.056 -44.352 41.106 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 19.911 -43.755 40.332 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 21.029 -44.477 41.134 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 18.520 -46.595 41.214 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 18.979 -45.752 41.009 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 19.019 -46.955 41.967 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.870 -46.426 43.443 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.650 -46.496 44.011 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 17.228 -46.503 42.539 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 20.046 -42.207 46.975 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 20.131 -42.596 47.851 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 19.786 -41.271 47.151 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 17.105 -48.502 36.942 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 16.974 -48.016 37.789 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 17.523 -47.840 36.354 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 13.671 -52.004 33.222 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 14.402 -51.704 33.771 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 14.091 -52.601 32.567 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 7.528 -39.953 48.041 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 7.363 -39.095 47.618 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 8.385 -40.252 47.654 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 9.987 -36.267 51.689 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 10.336 -36.983 52.230 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 10.581 -36.249 50.896 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 4.587 -38.535 46.226 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 5.059 -38.007 46.905 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 4.721 -38.024 45.397 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 10.257 -38.366 45.391 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.483 -38.172 44.815 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.146 -37.758 46.154 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 12.968 -38.247 44.734 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.018 -38.468 44.825 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 13.036 -37.346 45.119 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 13.552 -40.292 42.714 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 13.142 -39.572 43.220 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 13.775 -39.880 41.843 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 1.372 -38.263 41.205 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 1.734 -39.082 41.601 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 1.209 -38.497 40.284 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 10.093 -43.022 45.341 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 9.623 -42.290 45.773 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 11.022 -42.888 45.597 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 10.708 -18.809 -10.894 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 10.757 -18.575 -11.848 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.975 -19.737 -10.867 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 16.143 -21.495 -19.059 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 17.092 -21.660 -19.051 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 15.940 -21.316 -19.983 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 13.435 -26.070 -5.587 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 14.395 -25.847 -5.514 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 13.428 -26.992 -5.871 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 9.334 -25.643 -6.477 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 8.492 -25.149 -6.333 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 9.050 -26.495 -6.822 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 -0.023 -23.170 -5.097 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 0.431 -23.985 -4.866 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 0.634 -22.666 -5.610 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 10.388 -24.105 -3.875 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 9.585 -24.618 -4.043 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.745 -23.923 -4.770 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 5.461 -18.891 -11.952 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 4.521 -19.045 -11.724 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 5.838 -19.773 -12.001 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 15.575 -19.206 0.095 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 15.125 -19.008 0.934 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 15.181 -20.051 -0.190 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 11.602 -24.186 -6.375 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 12.267 -24.879 -6.165 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 10.783 -24.695 -6.581 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 7.069 -20.278 -6.883 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.118 -20.446 -7.832 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.842 -19.695 -6.701 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 13.410 -22.216 -7.107 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 12.663 -22.777 -6.799 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 13.532 -22.474 -8.026 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 13.879 -19.043 -7.913 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 14.739 -18.789 -8.323 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 13.994 -19.977 -7.677 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 -1.711 -21.092 -4.489 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 -0.945 -20.489 -4.385 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 -1.302 -21.955 -4.724 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 6.721 -21.950 -4.720 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 7.422 -21.584 -4.142 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 6.787 -21.415 -5.539 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 13.147 -24.284 -3.452 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 13.291 -24.982 -4.122 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 12.179 -24.161 -3.444 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 11.786 -21.089 -13.542 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 11.467 -21.951 -13.826 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 12.760 -21.131 -13.704 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 20.071 -20.017 -3.115 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 20.874 -20.404 -2.703 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 19.346 -20.528 -2.739 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.911 -25.115 -5.053 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 16.646 -25.171 -4.434 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 15.694 -24.160 -5.080 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 14.979 -22.537 -4.848 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 14.475 -22.255 -5.643 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 14.291 -22.805 -4.212 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 10.793 -18.559 -13.622 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.887 -18.296 -14.544 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 11.138 -19.486 -13.601 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 2.890 -19.548 -11.142 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 2.341 -20.267 -11.478 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 2.871 -19.670 -10.157 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 8.728 -20.367 -3.569 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 9.554 -20.531 -4.045 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 8.995 -20.383 -2.617 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 2.750 -19.845 -8.465 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 2.250 -20.340 -7.784 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 3.143 -19.096 -7.974 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 3.763 -17.590 -7.194 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 2.920 -17.147 -6.928 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 4.118 -17.012 -7.899 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 9.118 -18.522 -6.340 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 10.088 -18.439 -6.180 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 9.011 -18.250 -7.282 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 11.808 -18.079 -6.225 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 12.495 -18.525 -6.759 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 12.288 -17.356 -5.780 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 6.979 -24.394 -6.018 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.872 -23.580 -5.481 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 6.098 -24.567 -6.363 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 13.928 -17.771 -3.178 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 13.611 -17.106 -3.817 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 14.639 -18.224 -3.644 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 9.925 -25.152 6.375 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 10.027 -25.014 5.417 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 10.091 -26.106 6.503 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 10.117 -27.696 7.565 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 9.542 -27.431 8.313 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 9.798 -28.595 7.333 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 3.674 -29.910 7.171 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 4.018 -29.214 6.605 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.478 -30.364 7.505 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 11.964 -22.367 6.728 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 11.875 -22.288 7.703 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 12.411 -23.235 6.601 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 3.292 -28.724 12.871 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 3.545 -29.050 13.761 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 3.634 -29.411 12.260 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 8.366 -27.118 9.665 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 7.486 -27.518 9.809 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 8.888 -27.400 10.450 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 19.034 -32.667 10.315 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 19.167 -33.456 10.882 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 19.231 -31.907 10.917 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.854 -29.279 8.881 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.335 -28.864 9.608 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 13.613 -30.223 8.928 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 0.982 -35.570 11.265 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 0.638 -36.478 11.423 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 1.542 -35.386 12.066 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 10.150 -24.083 3.728 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 10.144 -23.170 4.085 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 9.749 -23.991 2.842 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 6.102 -21.991 11.992 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 7.069 -21.900 12.141 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 5.718 -21.910 12.876 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 12.793 -31.928 9.512 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 12.875 -32.722 8.973 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 12.915 -32.245 10.426 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 3.684 -36.078 10.321 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 2.713 -36.035 10.321 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 3.944 -35.621 11.165 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 13.278 -24.311 10.266 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 12.782 -23.540 9.914 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 14.102 -24.327 9.736 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 15.450 -36.460 12.276 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 15.244 -35.673 11.737 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 16.388 -36.366 12.485 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 14.506 -26.408 11.703 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 14.073 -25.713 11.169 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 14.891 -25.916 12.465 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 19.231 -28.325 13.451 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 18.548 -28.346 14.151 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 18.817 -27.802 12.733 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 12.880 -24.185 3.689 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 13.127 -24.323 4.631 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 11.906 -24.318 3.679 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 9.295 -24.631 8.961 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 9.573 -24.716 8.016 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 8.843 -25.481 9.152 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 6.000 -28.498 10.397 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 6.711 -29.173 10.446 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 5.185 -29.009 10.562 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 11.668 -22.190 9.437 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 10.698 -22.291 9.362 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 11.778 -21.423 10.046 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 17.254 -22.935 -3.010 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 16.584 -23.198 -2.340 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 16.731 -22.507 -3.708 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 2.319 -27.554 9.252 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 1.755 -26.954 8.712 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 1.966 -28.446 9.067 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.974 -25.548 7.918 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.464 -24.750 8.224 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 0.026 -25.301 8.034 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 4.210 -38.718 10.924 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 4.053 -37.815 10.574 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 5.180 -38.742 11.100 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 6.155 -32.790 11.599 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 5.531 -33.331 12.129 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 6.332 -33.348 10.813 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 5.911 -31.117 8.268 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 6.456 -30.942 9.060 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 5.301 -31.834 8.550 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 4.046 -32.873 9.288 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 3.107 -33.054 9.497 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 4.483 -33.736 9.382 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 11.975 -30.564 12.428 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 12.307 -31.471 12.271 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 11.873 -30.515 13.399 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 14.969 -34.292 10.506 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 15.462 -33.462 10.285 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 15.064 -34.839 9.717 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 8.816 -30.128 7.641 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 7.914 -30.480 7.597 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 9.137 -30.397 8.515 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 4.362 -30.633 11.171 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 5.058 -31.268 11.428 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 3.842 -31.113 10.506 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 13.496 -24.624 6.326 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 14.465 -24.647 6.210 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 13.290 -25.463 6.809 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 12.594 -28.301 11.060 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 13.285 -27.691 11.409 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 12.580 -29.045 11.699 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 4.461 -26.125 10.318 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 3.852 -26.585 9.701 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 5.198 -26.759 10.437 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 10.526 -21.479 4.531 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 11.315 -20.973 4.292 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.723 -21.811 5.432 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -0.348 -28.332 13.947 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -0.147 -29.223 14.238 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 -1.109 -28.445 13.344 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 12.855 -27.012 7.501 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 11.887 -27.156 7.557 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 13.236 -27.852 7.814 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 8.836 -21.655 12.309 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 9.139 -20.744 12.149 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 9.615 -22.100 12.718 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 4.221 -20.314 -0.611 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 4.471 -20.292 -1.570 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 3.481 -20.930 -0.576 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 10.035 -27.591 11.799 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 10.873 -27.966 11.461 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 10.196 -26.625 11.808 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 15.085 -23.773 -1.568 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 15.181 -24.550 -0.969 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 14.393 -24.049 -2.208 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 15.277 -25.858 0.182 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 15.367 -25.382 1.038 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 15.339 -26.787 0.421 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 9.448 -22.956 1.246 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 8.752 -22.284 1.215 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 9.642 -23.144 0.302 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 13.151 -33.057 12.124 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 13.428 -33.310 13.017 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 13.736 -33.586 11.538 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 6.686 -20.186 0.803 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 6.631 -20.643 1.672 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 5.853 -20.427 0.352 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 6.546 -21.249 3.281 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 6.972 -20.661 3.944 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 6.536 -22.114 3.706 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 10.250 -30.830 10.242 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 10.675 -30.530 11.071 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 10.993 -31.159 9.704 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 -3.329 -36.115 12.063 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 -4.050 -35.969 12.709 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 -3.210 -37.078 12.052 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 10.466 -23.136 -1.286 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 10.352 -23.487 -2.197 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 11.385 -23.345 -1.066 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 12.454 -19.807 -1.949 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 13.127 -20.315 -1.448 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 12.964 -19.087 -2.374 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 10.807 -25.017 11.272 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 10.271 -24.861 10.467 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 11.731 -24.871 10.973 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.185 -34.939 9.891 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 5.432 -35.541 9.741 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 6.668 -35.344 10.638 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 7.540 -30.728 10.466 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 8.521 -30.804 10.482 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 7.231 -31.481 11.016 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.906 -35.853 12.444 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 6.010 -35.453 12.569 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 7.274 -35.901 13.348 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 8.057 -36.131 15.037 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 7.711 -36.445 15.907 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 8.534 -35.324 15.253 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 6.680 -18.120 -1.019 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 6.952 -18.874 -0.451 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 5.858 -17.795 -0.600 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 2.119 -23.376 9.060 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 1.761 -22.665 9.628 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 3.082 -23.344 9.223 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 12.268 -22.696 1.342 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.587 -23.160 2.140 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 11.296 -22.758 1.405 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 15.824 -24.729 9.098 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 15.639 -25.682 8.978 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 16.791 -24.694 9.232 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 1.508 -30.350 8.806 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 1.563 -31.293 9.038 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 2.216 -30.229 8.130 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 16.401 -32.049 9.762 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 17.346 -32.286 9.859 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 16.418 -31.110 9.512 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 -1.477 -34.135 11.704 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 -2.159 -34.842 11.796 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 -0.644 -34.625 11.593 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 1.343 -33.046 10.044 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 0.543 -32.622 10.383 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 1.258 -33.978 10.334 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 0.226 -41.416 14.080 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 0.803 -40.942 14.720 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 0.573 -42.326 14.077 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.694 -21.428 10.985 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 0.789 -21.319 11.342 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 2.258 -21.484 11.785 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 4.933 -19.408 12.410 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 5.414 -19.648 13.236 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 5.270 -20.038 11.748 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 8.672 -19.962 7.679 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 7.925 -19.567 8.171 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 8.903 -20.760 8.204 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 11.473 -20.005 11.046 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 11.876 -19.314 11.610 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.560 -19.684 10.892 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 4.214 -20.557 9.630 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 3.273 -20.515 9.877 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 4.418 -21.515 9.641 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 4.690 -23.290 10.004 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 4.741 -24.261 10.119 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 5.292 -22.934 10.696 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 8.900 -22.017 9.526 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 8.827 -22.973 9.296 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 8.732 -21.990 10.489 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 9.957 -20.453 -1.173 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 10.113 -21.417 -1.109 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 10.836 -20.086 -1.433 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 -3.171 -20.927 -2.199 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 -2.697 -21.132 -3.040 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 -4.019 -21.376 -2.291 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 10.853 -33.488 44.994 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 11.828 -33.536 44.922 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 10.693 -33.319 45.938 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 11.212 -29.141 42.810 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 11.733 -29.927 43.094 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 10.556 -29.024 43.514 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 0.473 -32.092 37.493 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 0.214 -31.438 36.799 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 0.566 -32.937 37.001 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 -1.956 -31.484 41.265 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 -1.824 -31.740 40.326 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 -2.842 -31.818 41.476 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 11.858 -23.069 42.355 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 11.088 -22.551 42.627 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 12.519 -22.394 42.108 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 7.911 -29.134 45.408 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 8.495 -28.491 44.943 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 7.020 -28.870 45.155 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 6.693 -31.926 42.176 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.438 -31.709 42.786 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 6.416 -31.070 41.827 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 1.795 -33.619 39.627 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 1.445 -34.501 39.372 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 1.395 -33.005 38.977 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 8.653 -31.395 44.014 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 8.489 -30.720 44.702 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 9.359 -31.947 44.385 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.382 -36.987 47.752 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.767 -37.054 48.650 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.716 -36.134 47.416 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 6.186 -34.373 43.202 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 7.035 -34.482 43.692 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 6.256 -33.470 42.804 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 8.017 -37.575 44.019 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 7.132 -37.701 44.405 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 7.834 -37.369 43.074 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 13.739 -21.671 35.869 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 12.952 -21.436 36.402 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 14.491 -21.488 36.460 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 9.947 -28.532 40.394 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 10.761 -28.483 39.835 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 10.287 -28.757 41.284 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 11.295 -30.441 46.043 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 11.818 -30.479 45.220 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 11.614 -31.208 46.560 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 15.625 -31.911 47.000 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 15.673 -32.593 46.284 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 15.140 -32.360 47.721 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 12.432 -32.602 47.338 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 12.991 -32.878 46.569 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 13.009 -32.747 48.113 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 5.187 -28.816 40.592 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 4.541 -29.368 40.138 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 4.657 -28.060 40.931 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 8.629 -28.980 48.037 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 8.289 -29.183 47.140 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 9.309 -28.312 47.885 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 10.347 -23.499 40.059 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 11.113 -23.550 40.660 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 9.945 -22.625 40.265 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 11.125 -25.783 42.481 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 11.453 -24.863 42.525 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 11.892 -26.295 42.152 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 3.401 -26.847 41.417 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 2.564 -27.367 41.315 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 3.218 -26.250 42.147 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 11.652 -20.938 37.469 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 11.440 -20.006 37.237 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 10.776 -21.376 37.512 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.079 -35.676 48.598 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 14.325 -34.764 48.864 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.925 -36.085 48.344 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 5.231 -36.999 44.078 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 5.599 -36.114 43.928 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 4.557 -37.097 43.371 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 8.005 -37.218 49.972 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 8.530 -36.757 50.657 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 7.783 -38.084 50.385 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 11.502 -36.195 49.465 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 12.422 -36.041 49.165 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 11.018 -36.432 48.647 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 7.999 -34.748 47.043 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 8.018 -34.632 46.073 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 8.510 -33.979 47.386 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 4.242 -34.728 40.220 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 4.706 -34.073 40.759 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 3.411 -34.274 39.950 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 8.945 -31.186 52.102 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 9.273 -32.121 52.114 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 8.078 -31.234 52.518 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 12.844 -35.886 46.165 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.140 -35.050 45.755 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 13.248 -35.871 47.055 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 8.586 -34.849 44.352 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 8.753 -35.810 44.275 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 9.484 -34.452 44.439 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 9.388 -27.167 44.179 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 9.270 -26.364 44.693 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 10.000 -26.897 43.456 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 0.302 -30.474 42.668 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 0.837 -31.294 42.706 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 -0.572 -30.778 42.368 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 16.091 -21.436 37.435 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 16.860 -20.855 37.530 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.388 -22.124 36.800 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 12.866 -31.024 43.888 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 13.064 -31.957 44.102 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 13.675 -30.536 44.190 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 5.930 -25.487 39.086 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 6.138 -26.429 39.149 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 6.424 -25.086 39.805 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 7.518 -28.445 39.170 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 6.735 -28.674 39.716 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 8.282 -28.748 39.705 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 3.076 -26.804 36.587 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 2.345 -27.367 36.320 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 2.789 -26.431 37.456 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 11.633 -28.920 48.276 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 11.523 -29.307 47.378 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 11.124 -29.518 48.855 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 9.526 -36.937 47.654 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 9.024 -36.144 47.372 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 9.075 -37.222 48.477 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 9.947 -30.692 49.609 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 9.543 -30.768 50.503 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 9.332 -30.093 49.118 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 15.082 -38.190 47.219 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 15.297 -38.573 46.345 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 14.157 -38.421 47.356 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 3.368 -36.591 42.105 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 2.573 -37.084 41.807 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 3.619 -36.049 41.329 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 1.095 -28.234 41.334 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 0.287 -28.183 40.790 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 0.924 -28.989 41.941 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 14.154 -28.230 48.940 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 13.254 -28.496 48.628 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 13.978 -27.650 49.688 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 9.743 -32.746 47.713 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 10.718 -32.809 47.764 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 9.523 -32.014 48.316 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 11.619 -30.847 52.793 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 11.602 -31.417 53.568 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 10.678 -30.660 52.612 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 7.470 -39.761 50.765 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 6.844 -40.419 51.073 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 7.525 -39.916 49.796 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 10.185 -33.556 52.033 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 10.020 -34.524 52.010 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 10.939 -33.431 51.435 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 1.156 -23.149 39.296 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 0.344 -23.614 39.002 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 0.990 -22.219 39.070 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.528 -23.322 33.899 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 14.178 -22.725 34.602 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 13.787 -23.901 33.691 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.157 -27.496 41.810 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.528 -28.142 42.205 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.993 -27.672 42.261 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 14.716 -29.263 38.356 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 14.436 -30.126 38.732 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.609 -29.419 38.041 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 12.257 -32.020 50.446 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 12.258 -31.536 51.303 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 11.522 -31.613 49.948 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 14.437 -33.033 49.213 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 13.761 -32.685 49.843 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 15.298 -32.872 49.668 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 3.475 -34.250 43.530 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 3.293 -35.169 43.252 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 4.446 -34.215 43.616 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 1.433 -32.943 42.341 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 1.663 -33.162 41.415 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 2.154 -33.356 42.874 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 17.607 -37.403 47.826 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 17.470 -36.443 47.982 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 16.696 -37.774 47.805 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 13.546 -18.210 42.338 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 14.513 -18.355 42.213 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 13.449 -17.256 42.331 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 15.614 -38.997 44.580 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 14.667 -38.755 44.448 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 15.856 -39.474 43.755 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 7.150 -36.483 41.705 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 6.707 -35.709 42.097 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 7.539 -36.140 40.873 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 -1.038 -22.120 36.588 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 -0.961 -23.040 36.894 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 -0.434 -21.625 37.173 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 10.020 -8.606 -11.535 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 10.890 -8.192 -11.729 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 9.969 -9.359 -12.167 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 0.344 -12.694 -10.944 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 0.349 -12.240 -11.819 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 1.159 -13.223 -10.948 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 7.017 -6.743 -7.409 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 6.241 -7.332 -7.500 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.422 -6.738 -8.308 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 4.565 -15.037 -12.220 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 4.276 -14.285 -11.663 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 3.914 -15.743 -12.019 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.800 -15.777 -10.373 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 13.945 -16.194 -10.113 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.803 -15.830 -11.351 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 0.543 -11.290 -13.259 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 0.590 -11.902 -14.040 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 -0.028 -10.573 -13.559 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 4.292 -15.855 -9.290 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 4.032 -14.918 -9.339 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 3.705 -16.296 -9.943 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 12.641 -7.783 -11.782 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 12.804 -7.215 -10.996 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 13.490 -8.222 -11.943 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 8.913 -11.139 -3.526 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 9.430 -10.569 -2.917 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 7.996 -10.785 -3.465 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 8.916 -17.963 -8.985 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 9.492 -18.262 -9.726 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 8.122 -17.603 -9.426 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 3.286 -13.298 -10.417 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 2.893 -13.092 -9.540 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 3.297 -12.434 -10.883 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 8.483 -6.963 -9.780 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.705 -7.644 -10.446 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.229 -6.359 -9.810 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 14.240 -7.639 -15.226 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 13.423 -7.371 -14.786 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 14.559 -6.833 -15.647 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 14.757 -9.871 -12.390 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 14.840 -9.763 -13.358 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 15.272 -10.687 -12.198 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 2.934 -10.974 -11.850 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 2.100 -11.009 -12.370 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 3.586 -10.632 -12.475 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 12.237 -8.503 -6.791 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 12.064 -8.585 -5.839 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 11.374 -8.245 -7.164 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 5.332 -8.358 -4.656 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 5.061 -8.417 -5.595 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 5.718 -7.465 -4.576 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 3.839 -12.890 -6.093 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 3.392 -13.080 -6.939 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 3.174 -12.391 -5.584 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 3.110 -9.733 -9.184 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 3.248 -9.998 -10.107 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 2.170 -9.939 -9.015 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 17.468 -6.769 -4.955 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 17.547 -6.042 -4.310 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 18.143 -7.420 -4.662 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 6.448 -5.861 -4.740 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 6.794 -6.104 -5.626 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 6.090 -4.974 -4.861 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 4.922 -8.730 -7.385 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 5.331 -9.599 -7.302 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 4.206 -8.867 -8.050 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 6.946 -16.169 -9.670 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 7.033 -16.196 -10.648 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.973 -16.135 -9.519 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 7.413 -15.123 -6.983 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 7.326 -14.152 -7.041 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 6.931 -15.452 -7.757 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 0.667 -12.838 -15.443 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 0.218 -13.263 -16.180 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 1.623 -12.876 -15.690 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.487 -10.896 -12.972 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.212 -10.891 -13.617 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 10.373 -11.842 -12.748 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 12.962 -11.332 -10.885 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 12.915 -12.131 -11.438 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 13.492 -10.705 -11.420 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 7.758 -12.313 -7.241 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 7.147 -12.221 -6.469 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 8.295 -11.491 -7.222 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 6.846 -16.529 -12.377 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 6.089 -15.907 -12.443 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 6.420 -17.416 -12.328 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 14.825 -1.107 -3.993 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.652 -0.213 -3.673 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 14.352 -1.150 -4.857 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 2.041 -11.459 -4.612 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 2.216 -10.519 -4.742 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 2.559 -11.690 -3.804 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 3.272 -12.912 -16.140 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 3.788 -12.593 -16.884 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 3.905 -13.476 -15.633 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.892 -10.247 -9.564 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.695 -10.554 -10.051 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 10.486 -9.585 -10.171 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 1.912 -12.872 -8.069 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 1.181 -13.404 -7.702 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 1.504 -11.997 -8.246 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 13.880 -1.446 -6.540 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 14.563 -1.162 -7.186 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 13.084 -1.572 -7.083 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 12.967 -6.293 -9.462 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 12.338 -5.692 -9.022 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 13.826 -6.102 -9.018 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 6.294 -12.396 -5.034 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 5.374 -12.607 -5.314 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 6.182 -11.761 -4.296 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 15.037 -10.220 -15.097 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 14.794 -9.292 -15.324 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 14.181 -10.701 -15.108 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 13.580 -13.436 -12.745 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 13.868 -14.363 -12.902 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 14.405 -12.979 -12.455 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 9.531 -16.084 -12.928 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 8.565 -16.220 -12.816 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 9.878 -16.975 -13.114 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 10.685 -13.609 -12.476 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 11.632 -13.800 -12.556 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 10.246 -14.466 -12.686 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 13.023 -2.122 -9.179 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 12.787 -1.760 -10.040 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 13.979 -1.920 -9.088 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 2.675 -16.836 -11.296 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 2.767 -17.816 -11.302 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 1.730 -16.689 -11.416 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.182 -8.025 -4.058 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.525 -7.811 -3.362 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.165 -7.241 -4.647 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 3.488 -12.073 -2.422 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 4.087 -11.486 -1.915 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 3.956 -12.931 -2.442 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 2.817 -6.010 -1.978 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 2.486 -5.152 -2.260 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 3.510 -5.797 -1.320 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 11.888 -10.883 -5.032 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 11.503 -10.340 -4.324 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 11.164 -10.961 -5.687 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 9.764 -10.387 -7.094 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 9.564 -9.468 -6.800 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 10.208 -10.265 -7.963 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 15.617 -1.200 -8.655 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 16.286 -1.822 -8.282 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 16.140 -0.577 -9.173 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 17.510 -2.741 -7.408 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 17.536 -3.724 -7.496 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 18.460 -2.481 -7.379 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 12.715 -11.672 -14.678 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 12.234 -12.194 -15.329 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 13.020 -12.330 -14.020 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 15.880 -12.285 -11.752 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 15.914 -12.666 -10.842 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 16.802 -12.333 -12.062 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 15.164 -5.799 -8.015 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 16.137 -5.738 -7.938 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.834 -5.265 -7.262 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 15.962 -13.525 -9.326 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 15.624 -14.386 -9.660 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 16.140 -13.689 -8.384 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 14.794 -15.867 -13.140 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 15.726 -15.593 -13.313 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 14.675 -16.656 -13.684 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 -0.512 -15.446 -2.354 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 -0.329 -14.500 -2.419 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 -1.468 -15.488 -2.135 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 14.372 -21.827 -16.993 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 15.066 -21.607 -17.653 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 13.717 -22.316 -17.495 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 1.512 -16.217 -6.704 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 1.002 -16.533 -5.928 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 0.976 -15.490 -7.057 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 11.627 -4.257 -8.039 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 12.247 -3.595 -8.414 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 10.765 -3.830 -8.097 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 16.097 -18.020 -9.331 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 15.652 -17.212 -9.648 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 17.017 -17.908 -9.620 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 18.230 -16.789 -10.907 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 18.896 -17.219 -11.455 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 17.759 -16.202 -11.519 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 5.090 -14.443 -14.842 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 4.909 -14.632 -13.898 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 5.806 -15.043 -15.070 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.614 -17.193 -9.616 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 11.907 -17.701 -10.059 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 13.001 -17.827 -8.979 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 1.088 -20.942 -6.513 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 1.053 -20.394 -5.696 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 0.189 -20.903 -6.861 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 5.393 -18.764 -5.343 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 5.849 -19.383 -5.955 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 4.722 -18.318 -5.915 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 14.629 -4.067 -5.986 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 15.506 -3.908 -5.589 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 14.303 -3.172 -6.211 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 12.021 -11.363 2.821 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 12.548 -10.549 2.736 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 11.370 -11.303 2.087 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.154 -14.055 10.649 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.329 -13.089 10.626 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.270 -14.124 11.074 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.070 -7.612 6.433 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 15.355 -7.606 5.495 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 15.022 -6.657 6.675 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 1.389 -12.640 2.705 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 0.781 -12.711 3.446 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 1.039 -13.276 2.046 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 7.746 -8.883 4.071 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 6.996 -8.288 3.960 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 7.593 -9.301 4.941 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 9.235 -13.868 3.311 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 8.906 -14.337 4.101 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 9.152 -12.920 3.548 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 13.523 -8.902 2.482 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 14.347 -9.432 2.551 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 13.702 -8.119 3.018 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.163 -10.571 6.316 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 6.230 -10.803 6.240 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.361 -10.697 7.277 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 14.995 -5.021 7.245 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 15.309 -4.810 8.132 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.570 -4.210 6.944 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 5.504 -18.617 6.669 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 5.901 -18.749 7.557 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 4.589 -18.911 6.776 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 16.292 -7.548 3.925 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 16.194 -7.146 3.028 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 17.134 -7.202 4.246 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 15.962 -10.151 2.975 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 16.195 -9.375 3.526 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 16.300 -10.919 3.487 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 16.975 -12.782 9.386 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 16.186 -12.272 9.671 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 17.732 -12.236 9.691 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 10.177 -10.961 0.802 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 9.555 -11.499 0.262 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 9.643 -10.190 1.088 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.695 -12.885 -5.424 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 9.427 -12.263 -4.704 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.006 -12.770 -6.103 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 7.334 -11.240 8.946 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 8.146 -11.287 9.490 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 6.613 -11.352 9.593 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 14.397 -6.294 12.798 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 14.153 -5.551 13.355 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 14.571 -7.029 13.439 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 3.820 -12.295 13.206 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 2.855 -12.184 13.296 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 4.052 -12.911 13.916 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 11.566 -7.809 0.717 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 12.203 -8.220 1.331 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 10.691 -8.053 1.082 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 4.643 -10.032 -0.933 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.911 -9.488 -1.302 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 4.273 -10.387 -0.096 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.122 -5.757 -5.677 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 11.627 -5.282 -4.979 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 11.403 -5.323 -6.509 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 9.766 -7.209 -1.762 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 8.828 -6.916 -1.791 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 10.131 -6.764 -0.981 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 6.472 -19.093 9.193 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 5.714 -19.690 9.407 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 6.253 -18.253 9.656 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 8.599 -16.528 9.631 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 8.848 -15.668 10.038 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 7.626 -16.559 9.716 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 8.346 -14.792 5.925 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 7.757 -15.508 5.576 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 7.757 -14.246 6.461 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 6.599 -14.313 11.586 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 6.223 -14.612 12.439 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 6.273 -13.389 11.491 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 1.071 -16.579 -0.376 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 0.973 -15.877 0.295 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 0.551 -16.248 -1.136 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 6.603 -16.669 5.068 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.216 -16.934 4.205 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 6.174 -17.268 5.713 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 5.617 -17.901 2.766 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 5.062 -17.658 1.997 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 5.684 -18.861 2.713 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 1.125 -11.998 -1.015 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 1.896 -12.022 -1.620 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 0.377 -11.726 -1.585 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 9.065 -11.439 4.537 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 8.996 -10.650 3.974 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 8.403 -11.284 5.244 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 4.197 -17.732 0.331 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 3.320 -17.341 0.186 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 4.092 -18.668 0.050 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 10.299 -16.177 7.492 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 9.736 -15.731 6.830 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 9.684 -16.383 8.229 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 8.592 -12.364 -0.995 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 8.723 -12.096 -1.925 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 7.628 -12.550 -0.932 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 11.216 -9.602 9.562 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 10.879 -8.715 9.729 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 12.073 -9.452 9.115 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 8.216 -7.301 12.952 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 8.344 -7.254 13.928 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 7.886 -6.432 12.716 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.061 -8.582 1.620 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 8.273 -8.490 1.029 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.681 -8.594 2.522 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 8.892 -9.962 12.944 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 8.605 -9.026 12.847 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 9.371 -9.976 13.792 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 17.314 -8.604 10.007 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 17.808 -8.148 10.702 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 16.374 -8.406 10.214 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 16.188 -6.388 1.458 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 15.524 -5.735 1.167 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 16.839 -6.402 0.728 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 2.677 -10.795 0.997 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 2.058 -11.107 0.308 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 2.458 -11.347 1.776 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 9.465 -11.349 10.686 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 10.149 -10.750 10.310 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 9.201 -10.908 11.531 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 18.014 -4.694 -3.171 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 18.940 -4.432 -3.088 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 17.633 -4.031 -3.797 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 9.503 -7.726 -6.655 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 8.616 -7.400 -6.906 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 9.937 -6.945 -6.250 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 3.394 -7.922 0.794 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 2.885 -8.100 -0.018 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.230 -8.704 1.347 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 6.941 -8.571 -0.029 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 6.088 -9.000 -0.224 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 7.079 -7.962 -0.782 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 12.011 -14.160 3.147 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 12.221 -13.220 2.979 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 11.037 -14.192 3.129 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 12.991 -20.223 5.448 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 12.294 -19.580 5.704 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 12.736 -21.048 5.917 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.093 -13.482 -0.657 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 6.447 -14.042 0.049 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.455 -14.051 -1.115 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 6.992 -6.622 -1.905 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 6.249 -6.258 -1.378 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 6.729 -6.462 -2.832 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 17.371 -6.393 -1.034 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 17.658 -5.785 -1.745 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 17.913 -7.201 -1.173 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 2.374 -8.655 -1.709 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 1.431 -8.781 -1.859 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 2.537 -7.716 -1.970 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 8.648 -7.514 15.599 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 9.309 -8.233 15.537 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 8.402 -7.500 16.544 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 10.493 -9.816 -1.726 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 10.134 -8.914 -1.573 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 10.519 -10.217 -0.833 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 13.631 -8.915 8.396 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 13.984 -8.384 9.145 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 14.028 -8.497 7.599 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 6.299 -10.386 -3.142 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 5.884 -10.254 -2.266 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 5.981 -9.619 -3.676 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 5.475 -15.504 13.938 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 5.883 -16.105 14.587 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 4.826 -14.990 14.465 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 5.865 -16.656 10.317 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 5.008 -16.857 10.742 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 6.098 -15.769 10.668 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 8.908 -19.051 10.829 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 8.126 -19.406 10.373 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 8.959 -18.124 10.523 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 5.911 -11.613 11.466 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 5.072 -11.725 11.967 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 6.391 -10.931 11.957 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 3.731 -14.145 15.562 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 3.641 -14.823 16.259 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 2.997 -13.524 15.747 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 5.948 -20.318 14.727 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 5.517 -20.678 15.535 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 6.725 -19.830 15.069 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 3.792 -16.952 12.271 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 4.089 -17.888 12.341 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 4.397 -16.464 12.865 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 14.762 -8.288 14.557 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 14.285 -8.200 15.415 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 15.028 -9.224 14.533 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 14.844 -11.047 9.703 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 14.609 -10.918 10.646 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 14.518 -10.240 9.264 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 15.698 -13.643 14.374 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 15.705 -13.844 13.425 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 15.854 -14.512 14.808 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 1.065 -12.366 14.084 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 0.404 -11.868 13.592 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.682 -13.273 14.151 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 -1.134 -20.806 -0.320 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 -1.890 -20.906 -0.937 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 -1.378 -21.339 0.440 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 -0.812 -21.480 12.297 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 -1.487 -21.783 11.680 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 -1.076 -21.881 13.158 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 10.771 -18.737 6.285 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 10.095 -19.204 6.820 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 10.726 -17.813 6.600 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 0.216 -18.898 -1.679 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 -0.110 -19.600 -1.069 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 0.594 -18.216 -1.083 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 7.620 -19.624 5.163 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 6.838 -19.169 5.539 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 8.148 -19.875 5.951 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 4.872 -20.427 -3.225 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 4.904 -19.747 -3.924 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 5.311 -21.198 -3.627 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 8.717 -14.572 0.664 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 8.906 -14.201 1.552 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 8.888 -13.826 0.050 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 4.862 -5.772 -0.106 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 4.396 -6.536 0.313 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 5.154 -5.237 0.641 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 14.486 -4.739 -0.038 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 13.774 -4.302 0.445 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 14.626 -4.170 -0.827 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 3.163 -21.350 13.305 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 3.649 -20.548 13.031 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 2.924 -21.181 14.223 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 5.198 -21.344 17.115 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 5.709 -20.920 17.841 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.343 -21.558 17.522 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 11.577 -10.717 21.809 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 11.565 -10.139 21.011 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 11.177 -11.545 21.507 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 6.937 -11.579 25.011 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 6.194 -11.708 25.627 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 6.508 -11.306 24.172 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 5.158 -11.478 27.180 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 5.519 -10.590 27.375 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.245 -11.957 28.026 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 11.918 -10.698 24.579 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 12.402 -11.555 24.567 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 11.718 -10.530 23.639 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 0.424 -15.554 21.234 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 0.053 -14.732 21.632 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 -0.261 -15.840 20.600 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 4.438 -12.168 20.602 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 3.540 -12.558 20.728 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 4.459 -11.928 19.655 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 7.441 -5.529 27.669 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 8.118 -6.214 27.468 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 7.925 -4.852 28.143 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 1.956 -13.266 20.697 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 1.252 -12.786 21.169 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 1.736 -14.202 20.842 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 3.065 -12.137 25.464 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 3.757 -11.870 26.109 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 3.080 -13.117 25.495 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 11.366 -9.442 19.436 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 11.437 -8.563 19.017 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 10.714 -9.916 18.886 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 6.578 -9.241 28.143 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 6.023 -8.529 27.728 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 6.879 -8.848 28.971 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 5.267 -7.146 27.150 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 4.914 -7.074 26.236 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 5.875 -6.382 27.236 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 17.118 -10.267 30.279 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.207 -10.445 30.591 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.019 -10.130 29.332 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 10.011 -12.788 20.303 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 9.324 -12.362 20.835 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 9.799 -13.748 20.369 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 12.488 -12.543 18.995 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 12.965 -13.357 19.190 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 11.635 -12.645 19.465 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 5.379 -10.748 22.821 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 5.074 -11.272 22.052 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 4.574 -10.307 23.144 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 14.801 -11.074 14.686 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 15.200 -11.977 14.639 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 14.128 -11.148 15.389 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 1.687 -13.397 28.237 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 1.945 -12.925 29.042 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 0.802 -13.039 28.018 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 4.395 -12.066 17.784 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 3.448 -11.963 17.548 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 4.654 -12.893 17.354 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 20.812 -7.263 30.429 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 20.384 -8.134 30.427 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 20.391 -6.796 31.170 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 13.922 -10.204 12.178 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 14.400 -10.575 12.954 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 13.100 -9.861 12.552 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 6.682 -17.236 20.436 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 6.365 -16.681 19.694 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 6.224 -16.884 21.206 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 10.826 -17.579 33.802 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 11.243 -18.119 33.090 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 10.555 -18.232 34.464 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 1.718 -17.225 19.353 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 1.586 -16.730 20.184 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 0.806 -17.491 19.092 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 8.629 -10.601 26.994 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 7.828 -10.148 27.336 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 8.317 -11.046 26.172 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 5.816 -17.401 16.269 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 6.604 -17.984 16.234 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 5.125 -17.957 16.678 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 6.555 -13.915 20.279 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 6.174 -14.430 19.537 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 5.848 -13.280 20.519 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 5.682 -15.648 18.370 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 4.713 -15.502 18.296 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 5.904 -16.178 17.574 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 6.086 -19.700 19.191 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 6.498 -19.071 19.813 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 5.293 -19.230 18.868 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 8.589 -8.003 18.292 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 8.621 -8.974 18.325 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 8.254 -7.746 19.183 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 13.525 -10.206 28.343 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 13.991 -10.340 27.510 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 12.614 -9.962 28.067 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 12.535 -9.561 32.541 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 11.645 -9.885 32.266 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 12.350 -8.763 33.043 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 4.236 -7.310 24.621 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 3.867 -8.209 24.488 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 3.722 -6.755 24.032 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 11.158 -7.176 17.908 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 11.226 -6.241 17.683 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 10.189 -7.341 17.960 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 -0.815 -12.485 27.465 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 -1.440 -11.770 27.623 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 -1.294 -13.295 27.772 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 9.306 -15.429 32.711 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 9.867 -15.991 33.272 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 8.961 -16.044 32.035 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 19.593 -9.701 31.376 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 18.735 -9.947 30.951 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 20.265 -10.221 30.881 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 11.206 -9.633 26.977 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 10.332 -10.067 27.049 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 11.542 -9.922 26.094 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 7.822 -7.716 20.885 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 8.437 -8.012 21.567 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 6.979 -7.637 21.345 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 9.266 -7.531 27.262 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 10.188 -7.840 27.264 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 8.766 -8.294 26.951 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 13.292 -8.531 16.795 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 13.068 -9.465 16.952 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 12.578 -8.033 17.237 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 12.579 -11.249 16.568 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 12.047 -11.933 16.111 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 12.670 -11.593 17.487 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 8.822 -15.291 20.669 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 8.475 -16.199 20.664 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 8.014 -14.727 20.603 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 1.813 -12.566 16.799 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 1.407 -12.285 15.956 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 1.049 -12.872 17.344 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 10.253 -9.757 15.628 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.208 -9.934 15.665 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 9.900 -10.201 16.424 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 14.408 -10.598 30.892 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 14.099 -10.446 29.967 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 13.685 -10.228 31.449 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 7.713 -13.664 31.210 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 8.381 -13.088 30.799 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 8.225 -14.215 31.837 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 9.366 -10.835 18.112 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 9.555 -11.615 18.666 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 8.459 -11.007 17.756 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.666 -12.609 29.721 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 4.783 -12.706 30.145 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.283 -13.057 30.346 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 6.888 -10.961 17.061 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 6.037 -11.257 17.445 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 6.635 -10.502 16.252 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 10.061 -10.416 31.762 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 9.243 -10.451 32.263 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 9.811 -10.747 30.876 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 18.356 -10.763 14.737 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 17.447 -10.751 15.058 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 18.568 -11.718 14.654 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 8.574 -11.471 29.628 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 8.842 -11.243 28.712 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 7.608 -11.552 29.577 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 11.768 -15.946 35.745 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 11.152 -15.182 35.753 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 11.595 -16.382 34.883 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 15.675 -10.173 33.645 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 15.087 -9.912 32.917 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 16.327 -10.772 33.223 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 2.465 -15.768 30.057 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 3.365 -16.159 30.159 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 2.384 -15.606 29.104 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 14.214 -11.396 21.155 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 13.433 -11.097 21.658 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 13.896 -11.466 20.245 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 17.864 -10.759 23.542 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 18.829 -10.627 23.526 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 17.508 -9.943 23.142 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 17.647 -8.475 22.008 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 16.965 -8.134 21.418 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 18.394 -8.702 21.405 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 13.219 -13.037 24.038 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 14.159 -13.061 23.762 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 12.845 -13.874 23.694 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 3.002 -9.759 24.078 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 3.086 -10.558 24.646 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 2.063 -9.723 23.864 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 19.655 -11.139 33.705 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 18.807 -11.618 33.664 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 19.605 -10.510 32.953 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 -2.236 -18.950 30.231 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 -1.731 -18.558 29.483 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 -2.884 -19.556 29.794 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 3.005 -14.778 26.357 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 2.465 -14.257 26.995 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 3.855 -14.924 26.831 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 0.107 -16.426 24.016 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 -0.766 -16.022 24.208 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 0.254 -16.239 23.075 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 3.788 -18.684 18.088 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 3.367 -19.568 18.119 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 3.105 -18.084 18.451 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 12.145 -12.528 36.388 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 12.402 -12.333 37.294 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 12.973 -12.398 35.870 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 14.573 -12.142 35.242 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 14.874 -11.402 34.675 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 15.275 -12.811 35.156 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 13.884 -18.030 37.638 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 12.975 -18.265 37.378 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 14.140 -18.736 38.266 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 -1.119 -18.555 37.115 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 -1.848 -17.923 36.926 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 -0.946 -18.976 36.262 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 8.571 -19.299 39.015 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 7.668 -19.053 39.244 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 9.060 -18.442 39.012 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 8.491 -14.796 37.867 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 7.837 -14.101 37.969 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 9.014 -14.522 37.081 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 4.830 -24.684 36.670 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 4.204 -25.426 36.527 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 5.221 -24.870 37.549 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.244 -16.535 35.767 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 14.743 -17.104 36.396 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.436 -15.735 36.277 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 12.331 -15.771 38.468 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 13.137 -16.307 38.517 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 12.228 -15.584 37.516 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 16.808 -13.864 34.972 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 17.028 -13.252 34.239 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 17.085 -14.739 34.636 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 11.165 -18.317 36.929 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 10.588 -18.012 37.662 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 11.421 -17.487 36.472 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 9.854 -16.901 38.884 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 10.732 -16.479 39.021 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 9.273 -16.153 38.602 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 12.547 -20.528 41.343 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 12.801 -19.719 41.849 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 13.112 -20.492 40.543 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 4.182 -22.175 35.769 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 4.231 -23.076 36.165 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 5.101 -21.925 35.643 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 -3.022 -16.847 36.056 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 -2.861 -16.557 35.136 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 -3.832 -16.354 36.321 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 9.939 -13.925 35.705 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 10.654 -13.282 35.941 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 9.668 -13.662 34.816 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 17.613 -8.500 34.727 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 17.554 -8.750 35.659 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 16.869 -8.974 34.306 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 16.931 -10.423 36.826 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 16.994 -11.287 37.290 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 16.023 -10.399 36.501 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 17.177 -12.263 32.773 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 16.376 -12.576 32.281 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 17.931 -12.609 32.232 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 16.947 -13.066 37.574 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 16.793 -13.913 38.048 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 16.846 -13.304 36.627 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 16.789 -15.700 38.208 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 17.158 -16.390 37.630 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 17.017 -16.001 39.114 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 0.486 -20.527 38.343 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 1.317 -20.054 38.464 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 -0.159 -19.825 38.116 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.200 -18.486 41.792 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.728 -19.280 41.582 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.677 -17.764 41.345 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 2.436 -25.616 38.926 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 2.103 -24.706 39.078 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 2.888 -25.847 39.753 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 9.866 -20.972 40.888 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 9.475 -20.310 40.288 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 10.780 -20.647 41.045 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 13.950 -20.487 38.963 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 13.163 -20.855 38.509 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 14.707 -20.961 38.560 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 0.950 -16.963 37.827 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 0.109 -17.449 37.679 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 0.762 -16.386 38.572 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 8.978 -21.520 37.302 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 8.571 -21.297 36.442 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 8.740 -20.769 37.883 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 12.928 -4.636 -3.959 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 13.425 -4.177 -3.259 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 13.515 -4.579 -4.742 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 20.176 -42.781 14.385 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 19.499 -43.337 13.934 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 19.862 -41.858 14.241 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 18.107 -44.250 13.271 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 17.987 -45.056 12.725 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 17.322 -43.722 13.089 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 21.643 -44.355 16.057 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 22.532 -43.966 15.911 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 21.051 -43.825 15.475 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 17.346 -39.633 12.385 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 17.278 -39.437 11.433 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 16.427 -39.565 12.709 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 16.802 -48.564 16.587 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 16.802 -49.367 16.055 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 17.098 -47.859 15.958 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 21.850 -46.288 13.993 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 21.997 -47.114 14.451 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 21.753 -45.633 14.704 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 18.752 -42.102 18.998 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 17.817 -42.335 19.210 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.673 -41.345 18.405 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 22.717 -41.689 14.053 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 23.304 -42.198 14.653 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 21.847 -42.129 14.142 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.757 -39.455 15.997 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.603 -39.007 16.104 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.647 -39.960 16.829 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 23.804 -39.136 14.144 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 23.377 -40.017 14.150 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 24.561 -39.236 14.767 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 21.819 -39.817 12.123 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 22.142 -40.688 12.425 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 22.455 -39.186 12.504 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 19.583 -40.200 13.726 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 20.318 -39.981 13.119 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 18.771 -40.075 13.178 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.617 -48.173 29.561 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 21.440 -48.470 29.116 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 20.684 -48.553 30.469 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 19.609 -47.510 25.686 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 20.054 -47.964 24.928 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 20.235 -47.600 26.417 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 16.907 -47.510 25.419 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 17.891 -47.459 25.418 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 16.715 -48.370 25.849 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 29.380 -38.247 27.747 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 29.023 -38.868 27.081 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 28.875 -37.421 27.595 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 25.895 -41.174 26.569 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 25.781 -40.975 27.508 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 25.075 -40.824 26.147 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 25.598 -43.975 23.121 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 24.656 -44.049 22.939 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 25.649 -43.932 24.102 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 25.418 -43.814 25.839 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 25.748 -42.913 26.023 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 24.848 -44.019 26.608 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 15.096 -41.283 16.814 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 15.509 -40.815 17.577 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 14.738 -42.096 17.201 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 28.232 -39.916 25.877 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 28.757 -40.636 25.515 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 27.374 -40.335 26.104 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 19.802 -45.435 23.847 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 19.610 -46.055 24.572 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 20.605 -45.781 23.447 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 25.135 -46.626 27.186 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.831 -45.826 27.655 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 25.656 -46.285 26.452 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 24.099 -41.271 31.137 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 23.835 -42.120 31.542 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 23.752 -41.328 30.219 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.608 -45.696 28.734 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 21.192 -44.950 29.229 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 21.176 -46.490 29.105 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 25.130 -39.872 23.012 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 25.625 -39.047 23.207 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.648 -40.057 23.831 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 20.684 -48.469 23.414 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 20.325 -48.163 22.557 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 21.064 -49.344 23.206 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 14.509 -46.557 31.781 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 15.474 -46.745 31.827 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 14.087 -47.408 32.018 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 20.708 -42.713 27.145 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 20.669 -42.921 28.099 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 20.397 -43.514 26.714 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 25.013 -41.695 20.856 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 25.760 -42.299 21.043 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 25.036 -41.047 21.601 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 25.880 -40.956 18.310 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 25.977 -41.847 17.912 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 25.649 -41.135 19.242 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 23.556 -46.332 20.802 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 23.604 -46.963 21.527 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 22.621 -46.039 20.801 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 22.886 -43.679 31.974 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 22.472 -44.440 32.431 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 22.304 -43.524 31.194 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 18.371 -46.632 29.205 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 18.769 -45.817 29.606 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 19.115 -47.273 29.188 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 25.456 -45.231 19.163 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 24.825 -44.532 18.890 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 24.902 -45.863 19.672 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 13.497 -49.091 32.201 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 14.091 -49.715 31.732 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 12.647 -49.574 32.263 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 24.237 -46.174 33.963 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 23.266 -46.116 33.840 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 24.596 -46.015 33.085 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.959 -45.393 20.825 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.071 -44.875 19.997 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.142 -45.020 21.224 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 23.001 -41.678 28.669 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.253 -42.143 29.129 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 22.617 -41.398 27.824 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 28.834 -42.998 18.930 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 28.206 -43.164 19.672 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 29.684 -43.295 19.269 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.108 -48.018 20.741 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 19.329 -48.024 20.136 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 20.454 -47.105 20.672 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 23.716 -43.171 18.794 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 23.964 -42.679 19.601 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 22.749 -43.322 18.888 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 26.594 -43.461 17.308 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 27.510 -43.287 17.604 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 26.354 -44.293 17.756 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 24.075 -43.049 16.048 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 25.043 -43.160 15.991 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 23.905 -42.980 17.011 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 24.608 -44.565 36.122 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 24.259 -43.791 35.633 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 24.629 -45.282 35.448 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 26.998 -43.677 20.820 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 26.537 -44.358 20.282 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 26.713 -43.869 21.742 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.608 -45.549 33.613 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.383 -45.075 34.444 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 20.740 -45.867 33.276 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 21.220 -50.440 21.521 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 20.831 -49.642 21.107 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 21.219 -51.094 20.822 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 23.922 -44.284 28.105 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 23.098 -44.776 28.316 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 23.734 -43.371 28.397 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.908 -48.052 28.048 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 22.595 -47.133 28.122 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 23.813 -47.962 27.691 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 21.043 -43.720 18.670 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 21.162 -44.060 17.751 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 20.223 -43.185 18.621 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 19.082 -45.997 32.717 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 19.351 -45.457 31.932 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 18.280 -46.473 32.409 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 17.067 -49.818 32.924 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 16.509 -49.979 33.713 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 17.972 -49.725 33.291 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 28.021 -39.619 31.752 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.285 -39.459 31.126 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 28.831 -39.466 31.213 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 25.696 -36.404 32.042 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 26.143 -37.261 32.023 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 25.908 -36.006 31.168 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 30.197 -39.129 30.166 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 31.149 -39.023 30.114 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 29.874 -38.838 29.280 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 28.570 -40.291 18.248 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 27.600 -40.285 18.295 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 28.808 -41.222 18.393 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 17.474 -42.727 45.736 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 18.308 -42.536 46.199 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 17.740 -43.304 44.999 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 19.112 -43.682 43.591 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 19.376 -43.882 42.666 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 19.148 -42.702 43.642 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 22.673 -44.870 41.680 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 23.140 -45.539 41.132 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 22.629 -45.276 42.572 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 22.130 -38.325 43.325 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 22.857 -37.820 43.752 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.258 -38.151 42.359 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.883 -46.552 39.881 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.794 -47.497 39.722 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.854 -46.386 39.806 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 14.985 -41.530 45.900 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 15.196 -40.754 45.358 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 15.830 -42.031 45.940 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 25.614 -39.450 36.425 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 25.600 -40.000 35.621 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 26.430 -39.735 36.900 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 22.353 -45.498 44.347 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 22.916 -45.850 45.044 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 22.219 -44.555 44.601 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 21.795 -41.047 43.155 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 20.814 -41.040 43.222 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 22.042 -40.097 43.194 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 20.872 -49.114 32.121 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 20.273 -49.116 32.894 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 21.746 -49.248 32.501 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 23.616 -42.348 41.557 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 23.290 -43.276 41.577 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 22.963 -41.855 42.096 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 19.310 -39.631 47.479 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 19.613 -39.280 46.616 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 18.745 -38.917 47.840 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.467 -43.910 37.999 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 25.807 -44.182 37.320 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.024 -43.170 38.478 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 22.546 -45.013 37.895 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 22.846 -45.484 38.693 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 23.361 -44.896 37.368 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 18.102 -46.823 35.077 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 18.658 -46.412 34.385 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 17.212 -46.414 34.938 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 24.997 -41.961 39.210 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 24.335 -41.577 38.588 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.467 -42.202 40.001 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.126 -40.762 37.668 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.441 -40.121 37.013 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 22.372 -40.316 38.096 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 19.273 -49.230 34.426 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 19.447 -49.647 35.278 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 18.911 -48.347 34.661 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 27.810 -40.192 37.888 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 27.974 -40.327 38.827 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.168 -41.004 37.461 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 21.237 -43.833 35.793 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 22.030 -43.338 35.487 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 21.516 -44.223 36.655 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 28.450 -42.523 36.679 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 27.842 -43.166 37.103 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.181 -42.518 35.749 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 26.547 -46.185 39.498 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.422 -46.547 39.331 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 26.548 -45.326 39.018 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 22.114 -38.268 36.222 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.449 -38.269 35.522 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 21.623 -38.550 37.023 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 19.716 -46.317 43.832 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 19.411 -45.383 43.843 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 20.667 -46.254 44.030 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 19.969 -38.689 45.020 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 19.333 -37.949 44.920 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 20.719 -38.447 44.432 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 25.422 -36.137 46.516 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 24.850 -35.347 46.607 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.094 -36.023 47.192 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 19.148 -40.948 43.667 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 18.242 -40.792 43.307 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 19.268 -40.236 44.330 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 25.915 -40.706 41.508 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 25.217 -41.248 41.917 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 25.882 -40.954 40.569 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 27.932 -40.833 34.186 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 28.057 -40.444 33.284 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.660 -40.467 34.702 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 14.035 -21.483 -0.419 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 13.434 -21.876 0.254 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 14.471 -22.258 -0.831 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 22.847 -22.561 0.826 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 22.748 -21.838 1.464 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 23.635 -23.033 1.122 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.791 -25.326 10.738 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 21.420 -24.582 10.692 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 20.187 -25.080 11.472 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 17.582 -25.967 6.825 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 17.085 -26.629 7.341 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 18.138 -25.515 7.494 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 19.916 -27.911 10.384 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 20.646 -28.568 10.302 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 20.380 -27.057 10.524 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 19.997 -31.281 8.181 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 20.107 -31.767 7.357 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 19.656 -31.951 8.816 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 17.635 -26.826 11.746 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 18.104 -27.141 10.953 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 16.695 -26.867 11.501 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 21.692 -29.942 9.918 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 22.239 -30.650 10.268 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 21.166 -30.370 9.212 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 15.650 -24.879 13.604 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 15.744 -23.922 13.464 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 16.469 -25.136 14.085 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 15.360 -24.387 2.508 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 15.543 -23.462 2.299 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 14.468 -24.368 2.923 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.726 -29.110 16.501 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.329 -28.396 16.219 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.834 -28.758 16.310 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 19.436 -30.838 12.264 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 20.017 -31.299 12.907 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 19.448 -29.903 12.561 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 17.323 -28.109 15.450 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 16.365 -28.140 15.518 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 17.527 -27.140 15.342 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 16.124 -24.302 5.306 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 16.742 -24.967 5.698 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 16.118 -24.512 4.355 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.594 -20.480 12.139 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 25.515 -21.164 12.844 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 24.856 -20.677 11.533 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 16.438 -22.439 7.295 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 16.378 -23.043 6.519 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 16.162 -22.996 8.046 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.944 -32.370 13.999 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 21.717 -31.917 14.407 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 21.160 -33.326 14.094 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 18.873 -31.580 15.631 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 19.555 -31.920 15.017 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 19.237 -30.720 15.939 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.546 -29.395 15.807 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 26.646 -30.363 15.619 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.218 -28.980 15.256 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 21.817 -22.661 11.086 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 21.662 -22.284 11.982 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 22.571 -22.143 10.740 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 19.339 -34.472 12.355 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 20.152 -34.147 12.781 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 19.022 -35.176 12.960 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.751 -21.753 15.683 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 19.716 -22.709 15.433 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.376 -21.732 16.428 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 19.051 -20.789 8.014 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 18.262 -21.243 7.676 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 19.192 -21.183 8.894 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 22.591 -30.537 19.211 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 23.320 -30.580 18.548 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 21.791 -30.445 18.678 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.761 -24.789 15.437 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 25.062 -25.554 15.968 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.932 -25.089 15.040 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.137 -32.052 15.514 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.651 -31.362 15.968 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 23.125 -32.799 16.154 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 26.697 -32.101 15.529 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 26.609 -32.506 16.414 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 26.270 -32.749 14.928 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 21.520 -34.993 14.276 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 21.131 -35.121 15.169 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.340 -35.532 14.298 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.009 -33.956 14.360 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.667 -34.866 14.461 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.229 -33.393 14.491 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 25.818 -32.997 17.986 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 26.152 -33.506 18.735 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 24.975 -33.443 17.750 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 23.790 -36.464 14.927 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 23.838 -37.359 14.520 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 24.054 -36.613 15.860 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 24.236 -36.654 17.690 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 24.698 -36.394 18.510 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.775 -37.486 17.935 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 20.138 -23.228 0.910 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 19.771 -23.277 0.009 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 21.101 -23.155 0.773 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 15.795 -20.196 5.710 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 14.891 -20.407 5.397 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 16.043 -20.969 6.259 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 16.167 -27.573 8.713 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 16.834 -28.268 8.892 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 15.318 -28.060 8.695 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 20.004 -39.245 10.079 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 20.714 -39.562 10.671 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 19.824 -38.340 10.387 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.034 -29.586 9.276 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.622 -30.094 8.687 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.649 -29.015 9.789 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 18.869 -36.908 11.125 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 19.223 -36.005 11.209 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 18.656 -37.164 12.044 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 20.962 -26.944 15.156 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 20.591 -27.458 14.409 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 20.494 -26.077 15.105 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 25.062 -22.383 14.031 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 24.389 -22.007 14.631 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 25.203 -23.286 14.370 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 19.671 -16.870 15.501 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 19.312 -16.543 14.646 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 19.044 -16.501 16.172 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 21.139 -18.585 13.948 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 21.957 -18.672 14.457 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 20.541 -18.081 14.542 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 19.149 -22.540 10.465 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 20.117 -22.455 10.604 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 18.842 -23.037 11.251 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 18.928 -24.503 12.572 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 18.347 -25.288 12.460 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 19.180 -24.526 13.523 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 18.654 -24.785 9.039 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 18.749 -23.865 9.361 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 19.412 -25.253 9.442 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 20.278 -21.853 3.267 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 20.149 -22.319 2.410 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.614 -22.239 3.845 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 20.695 -19.204 3.770 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.588 -20.143 3.498 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 20.837 -19.251 4.734 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 29.526 -29.766 22.984 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 30.399 -29.533 23.318 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 29.266 -28.990 22.428 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.953 -27.873 22.024 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 26.126 -28.542 22.719 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.111 -28.176 21.604 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 28.302 -20.885 27.140 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 28.428 -21.118 26.204 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 28.485 -19.923 27.173 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 25.611 -27.460 25.430 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 26.183 -28.181 25.111 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 25.202 -27.113 24.630 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 28.657 -27.457 21.786 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 28.700 -26.519 21.566 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 27.702 -27.671 21.729 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.815 -21.617 24.464 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 28.247 -22.000 23.758 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.359 -22.358 24.759 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.598 -28.590 20.873 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 23.541 -27.756 20.359 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 23.171 -29.255 20.300 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 24.084 -24.375 24.150 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 23.997 -24.499 23.179 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 24.082 -23.422 24.264 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 22.393 -26.213 31.395 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 21.563 -26.695 31.577 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.053 -26.920 31.267 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 27.086 -22.510 22.503 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 27.092 -22.337 21.539 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.832 -23.449 22.569 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 19.472 -25.227 32.217 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 19.573 -24.961 31.273 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.657 -26.190 32.212 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 28.622 -19.498 16.691 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 29.261 -19.523 17.408 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 27.909 -20.103 16.984 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 26.424 -25.186 21.481 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.306 -26.136 21.694 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 25.500 -24.835 21.448 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 27.800 -36.020 27.322 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 27.087 -35.960 26.664 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 28.165 -35.116 27.359 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 25.279 -33.787 22.166 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.755 -33.020 21.831 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.074 -34.507 21.532 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 29.361 -32.629 22.945 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 30.283 -32.816 22.748 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 29.308 -31.654 22.939 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 25.694 -32.754 29.631 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 25.955 -33.698 29.739 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 25.583 -32.435 30.536 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.373 -34.062 17.333 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 23.609 -35.005 17.200 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 22.709 -34.084 18.055 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.237 -26.531 34.671 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.630 -25.702 34.356 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 21.287 -26.317 34.779 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 26.230 -35.426 29.560 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 25.453 -35.602 28.989 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 26.985 -35.779 29.047 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 24.070 -35.463 27.850 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 24.593 -35.413 27.024 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 23.615 -34.597 27.894 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 23.679 -26.237 19.510 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 23.773 -25.531 20.193 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 23.061 -25.852 18.859 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 23.295 -23.757 30.645 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 22.873 -24.559 31.040 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 24.166 -24.080 30.327 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.918 -23.127 17.711 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 24.818 -23.670 16.902 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 24.128 -23.351 18.250 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 27.503 -33.232 27.461 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 26.806 -33.616 26.902 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 27.027 -32.890 28.236 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 25.486 -24.634 29.249 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.149 -24.840 28.350 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.992 -23.792 29.128 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 21.482 -22.957 17.461 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 21.469 -23.854 17.066 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.014 -23.072 18.292 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 27.426 -34.658 23.643 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 28.164 -34.038 23.461 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 26.707 -34.351 23.047 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.512 -31.869 21.482 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 23.012 -31.449 22.204 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.203 -31.407 20.676 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.609 -32.736 27.801 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.899 -32.431 26.932 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.377 -32.570 28.387 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 23.911 -33.123 24.555 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.124 -32.603 24.294 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 24.337 -33.351 23.703 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 22.060 -23.318 34.373 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 21.475 -23.285 35.156 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.501 -22.982 33.643 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.901 -21.570 15.540 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.445 -22.159 16.173 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.346 -21.607 14.733 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 26.314 -27.014 30.285 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 27.264 -26.960 30.165 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.978 -26.152 29.947 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 24.926 -27.037 17.070 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 24.796 -27.092 18.037 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 25.480 -27.809 16.858 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.447 -25.705 17.077 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.855 -26.172 16.449 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 23.282 -26.210 17.034 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 24.651 -30.569 17.406 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 25.167 -31.359 17.684 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.287 -30.043 16.878 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 23.642 -37.819 29.095 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 23.277 -37.480 29.945 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.728 -37.015 28.537 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 26.926 -29.552 24.022 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 26.688 -30.438 24.322 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 27.856 -29.640 23.728 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 25.725 -39.231 30.237 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 25.101 -38.674 29.726 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.171 -39.965 30.569 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 22.569 -31.328 32.616 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.196 -31.804 33.383 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 22.877 -30.473 32.990 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 25.215 -40.826 33.827 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 26.195 -40.876 33.894 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.046 -40.725 32.873 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 23.361 -42.697 34.519 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 23.206 -42.983 33.595 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.959 -41.921 34.432 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 20.190 -27.880 31.873 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 19.850 -28.346 31.090 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.135 -28.553 32.592 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 19.861 -24.457 29.644 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 19.426 -23.722 29.205 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 20.660 -24.621 29.098 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.671 -22.217 28.901 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 27.313 -21.811 28.277 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 26.475 -21.502 29.537 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 24.428 -25.307 26.764 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.247 -24.929 25.876 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 24.851 -26.170 26.568 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 25.742 -34.672 25.786 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 24.986 -34.174 25.391 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.388 -34.747 25.045 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 26.638 -37.691 23.995 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 26.920 -36.791 23.761 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 27.410 -38.079 24.431 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 24.370 -35.617 20.322 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.991 -36.177 21.034 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 23.596 -35.155 19.949 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 26.574 -20.882 17.968 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 25.900 -21.457 17.549 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 26.886 -21.409 18.731 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 14.985 -30.017 45.125 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 15.276 -29.162 45.512 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 15.319 -30.688 45.752 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 20.586 -27.946 39.912 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 21.327 -28.436 39.516 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 20.201 -27.444 39.162 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 21.813 -34.856 40.867 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.706 -34.541 41.114 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 21.683 -34.530 39.953 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 18.144 -24.273 37.699 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 17.481 -24.235 38.396 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 17.638 -24.081 36.873 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 26.875 -40.153 44.935 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 26.023 -40.560 45.203 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 27.435 -40.901 44.718 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 21.886 -31.258 40.725 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.030 -31.529 40.319 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.312 -30.701 40.036 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 21.205 -29.337 45.111 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 21.881 -30.016 45.299 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 21.349 -29.107 44.162 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 17.824 -27.777 48.559 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 18.001 -27.418 49.433 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 17.353 -28.624 48.736 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 19.594 -32.189 39.522 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 19.932 -32.996 39.076 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 19.159 -31.694 38.819 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 15.738 -27.893 46.635 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 16.577 -27.597 47.027 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 15.115 -27.898 47.384 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 22.975 -23.052 37.483 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 22.119 -22.992 37.028 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 22.811 -23.646 38.217 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 22.781 -36.837 31.464 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 22.101 -37.236 32.029 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 23.465 -36.535 32.086 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 18.923 -30.884 45.026 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 18.628 -30.610 45.909 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.677 -30.291 44.836 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 20.725 -34.409 38.298 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.954 -35.015 38.190 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.140 -34.392 37.412 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 20.829 -32.830 34.203 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 21.241 -33.442 34.843 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.879 -33.128 34.162 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.772 -36.489 41.016 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.074 -37.142 41.680 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.477 -37.034 40.263 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 22.224 -34.705 35.857 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 22.797 -34.721 35.057 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.587 -35.406 36.414 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 23.316 -28.873 33.576 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 22.858 -28.063 33.883 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 23.679 -28.623 32.698 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.182 -34.683 42.304 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.879 -35.078 41.731 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 24.109 -35.315 43.047 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 22.614 -32.486 43.072 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 23.256 -33.189 42.840 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 22.450 -32.022 42.222 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 21.330 -29.115 42.388 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 21.573 -29.915 41.889 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 20.932 -28.528 41.715 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 16.276 -30.014 48.882 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 15.454 -29.485 48.971 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 16.109 -30.585 48.099 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 19.640 -26.611 37.667 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 19.112 -25.802 37.806 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.729 -26.670 36.700 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.594 -37.571 40.779 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 22.479 -36.605 40.736 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 23.293 -37.762 40.120 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.631 -37.975 38.903 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 24.618 -37.460 38.074 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.978 -38.842 38.637 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.147 -35.328 34.005 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 24.458 -35.807 34.799 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 24.809 -35.554 33.317 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 19.690 -25.534 34.994 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 19.422 -25.428 34.056 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 19.748 -24.625 35.328 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 20.301 -23.087 36.470 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 19.626 -23.553 37.009 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.009 -22.146 36.487 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 22.873 -29.328 38.990 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 23.624 -28.834 39.336 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 22.912 -29.172 38.012 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 17.023 -32.534 49.780 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 17.945 -32.636 50.106 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 16.945 -31.578 49.585 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 23.078 -28.603 36.385 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 22.741 -27.749 36.050 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 23.372 -29.068 35.583 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 19.618 -29.470 47.378 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 19.073 -28.708 47.655 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.175 -29.118 46.649 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 24.116 -28.359 31.040 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 24.943 -27.858 30.826 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 24.085 -29.054 30.376 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 20.881 -31.785 47.942 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 21.512 -31.741 47.192 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 20.347 -30.962 47.849 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 22.619 -31.742 45.713 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.114 -32.506 46.070 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 22.573 -31.924 44.747 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.694 -32.464 50.337 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 20.090 -32.187 49.483 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.380 -32.283 50.985 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 24.469 -41.314 45.539 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 23.836 -42.037 45.376 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 23.924 -40.597 45.877 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.383 -34.487 48.136 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.717 -34.915 48.684 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 21.115 -33.544 48.123 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 26.405 -21.199 35.558 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 26.393 -21.721 36.367 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 25.614 -21.509 35.060 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 19.790 -30.093 33.404 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 20.142 -30.560 34.173 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 18.999 -30.627 33.140 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 19.304 -18.393 38.730 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 19.675 -17.601 38.285 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 19.423 -19.112 38.074 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 18.180 -20.118 40.695 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 18.551 -19.528 40.013 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 18.835 -20.815 40.788 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 12.375 -28.198 39.249 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 12.738 -27.774 40.052 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 13.171 -28.506 38.763 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 16.746 -34.794 47.706 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 16.829 -33.958 48.199 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 16.462 -34.517 46.804 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 17.663 -37.163 45.109 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 17.672 -37.156 46.089 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 16.914 -37.753 44.882 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.140 -38.437 42.960 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.520 -38.837 43.775 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 26.092 -39.193 42.330 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 24.262 -36.810 44.137 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 24.942 -37.345 43.663 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 24.665 -36.646 45.021 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 20.953 -19.754 32.436 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 20.321 -19.335 33.053 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.641 -20.682 32.378 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.479 -36.990 36.240 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 23.603 -37.439 36.166 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 25.125 -37.728 36.184 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 23.386 -34.329 46.331 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 22.720 -34.487 47.043 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 23.007 -34.757 45.554 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 16.820 -23.319 35.533 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 17.442 -22.719 35.038 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 16.106 -23.504 34.885 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.510 -12.378 -8.677 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 20.277 -13.246 -9.070 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 20.594 -12.568 -7.722 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 19.276 -7.199 -8.746 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 19.467 -7.233 -9.687 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 19.551 -8.084 -8.414 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 18.686 -13.504 -11.645 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 19.269 -12.718 -11.711 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.000 -13.965 -10.843 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 17.482 -10.998 -14.166 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 18.065 -10.916 -14.925 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 16.593 -10.771 -14.520 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 20.480 -11.413 -11.344 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 20.673 -11.623 -10.409 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 21.359 -11.191 -11.727 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 24.307 -19.348 -9.360 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 23.413 -19.196 -8.973 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 24.222 -20.183 -9.826 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 25.840 -17.221 -8.631 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 25.291 -17.994 -8.899 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 26.731 -17.573 -8.580 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 19.740 -14.947 -9.436 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 19.145 -15.646 -9.774 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 20.373 -15.432 -8.861 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 17.788 -5.460 -7.337 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 18.417 -6.008 -7.865 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 17.682 -5.960 -6.497 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 19.372 -8.415 -3.920 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 20.259 -7.992 -3.795 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 19.544 -9.149 -4.546 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 23.940 -15.313 -8.489 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 24.640 -16.010 -8.465 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 24.290 -14.651 -9.089 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 19.513 -17.806 -4.634 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 19.791 -18.585 -4.095 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 18.671 -18.072 -5.015 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 17.368 -15.008 -13.465 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 17.650 -14.650 -14.314 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 17.819 -14.432 -12.801 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 19.148 -10.696 -5.454 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 18.469 -10.895 -4.786 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 19.582 -11.562 -5.618 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 19.833 -9.753 -7.980 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 19.642 -9.958 -7.044 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 20.166 -10.595 -8.344 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 24.143 -14.047 -3.464 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 23.490 -14.746 -3.262 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.022 -13.874 -4.404 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 21.850 -18.947 -8.262 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.667 -17.993 -8.133 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 21.409 -19.374 -7.523 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 20.195 -2.365 -7.162 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 20.858 -1.688 -7.329 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 20.704 -3.178 -7.058 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 14.920 -3.415 -2.413 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 15.821 -3.678 -2.652 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 14.814 -2.530 -2.826 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 18.228 -12.129 -1.606 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 19.012 -11.675 -1.228 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 18.018 -11.617 -2.410 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 21.505 -16.231 -7.750 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 22.378 -15.895 -8.071 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 21.511 -16.030 -6.793 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 21.116 -15.642 -4.987 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 21.584 -15.676 -4.128 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 20.488 -16.404 -4.946 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.016 -13.276 -6.063 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.259 -13.806 -6.339 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 20.605 -13.919 -5.616 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.791 -21.593 -1.635 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 21.092 -22.270 -1.726 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.292 -21.872 -0.848 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 18.126 -10.050 -11.699 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 17.912 -10.328 -12.617 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 19.012 -10.437 -11.535 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 22.947 -10.756 -12.420 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 23.817 -11.123 -12.237 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 23.119 -10.022 -13.018 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 14.341 -21.572 -14.293 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 15.226 -21.847 -14.043 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 14.344 -21.617 -15.279 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 21.739 -7.232 -3.346 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 21.876 -6.712 -2.552 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 22.597 -7.700 -3.474 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 19.698 -23.379 -1.866 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 18.816 -23.133 -2.236 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 19.928 -24.191 -2.330 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 19.932 -16.725 2.881 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 20.015 -16.496 3.833 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 20.138 -17.685 2.854 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.105 -12.917 8.857 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 19.820 -12.180 9.442 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 19.756 -12.668 7.978 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 15.942 -11.969 6.966 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 16.381 -12.447 7.700 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 16.304 -11.052 7.034 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 20.472 -16.514 5.524 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 20.686 -17.443 5.742 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 20.561 -16.041 6.381 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 18.206 -10.038 1.367 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 18.014 -9.405 0.661 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 17.380 -10.077 1.888 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 21.159 -21.298 13.388 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 21.168 -20.322 13.312 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 20.427 -21.480 14.009 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 21.506 -13.364 5.235 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 21.578 -13.793 4.355 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 22.095 -13.880 5.797 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 19.348 -12.103 6.247 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 19.573 -11.165 6.288 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 20.151 -12.530 5.856 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 22.354 -11.195 13.965 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 23.254 -11.208 13.618 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.028 -12.111 13.822 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 18.852 -10.937 10.250 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 18.321 -10.132 10.086 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 19.308 -10.752 11.106 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 14.705 -7.989 10.709 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 14.597 -7.211 11.310 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 14.461 -8.756 11.272 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 20.602 -15.439 7.985 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 20.531 -14.514 8.305 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 21.374 -15.805 8.479 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.758 -14.670 2.816 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.299 -15.536 2.755 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 22.710 -14.894 2.723 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 25.105 -14.553 12.591 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 24.551 -14.685 13.383 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 26.011 -14.790 12.890 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 17.427 -15.394 10.270 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 17.218 -14.453 10.077 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 16.638 -15.882 9.955 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 22.332 -15.949 -2.486 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 22.586 -15.577 -1.608 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.327 -16.906 -2.344 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 26.602 -14.759 4.669 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 26.279 -14.601 5.587 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 27.128 -15.563 4.742 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 25.034 -12.363 1.378 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 25.900 -12.366 1.854 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 25.270 -12.577 0.454 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 20.122 -9.952 17.825 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 21.016 -9.879 17.437 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 19.567 -10.243 17.089 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 26.019 -14.528 7.420 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 26.127 -13.664 7.828 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 25.780 -15.113 8.166 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 25.315 -15.660 10.021 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 25.653 -16.544 10.302 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 25.199 -15.170 10.867 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 17.136 -12.212 4.537 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 18.018 -12.199 4.960 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 16.513 -12.202 5.295 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 15.797 -12.702 23.025 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 15.345 -12.214 22.304 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 16.535 -12.117 23.282 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.382 -13.728 13.372 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 21.087 -14.093 12.514 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.539 -13.564 13.862 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 18.942 -13.445 14.470 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 18.540 -14.272 14.134 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 18.662 -13.407 15.415 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.263 -10.834 -0.229 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 19.702 -10.606 0.545 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.176 -10.844 0.130 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 27.303 -12.886 2.748 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 28.214 -12.644 2.933 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 27.074 -13.526 3.457 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 23.746 -20.920 10.081 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.351 -20.120 9.680 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 24.324 -21.267 9.392 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 23.319 -14.884 -0.168 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 23.973 -14.241 -0.489 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 23.628 -15.110 0.730 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 24.207 -8.369 -3.077 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 24.113 -9.192 -2.542 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 25.148 -8.312 -3.258 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 20.025 -10.254 12.643 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 19.386 -10.284 13.391 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 20.882 -10.464 13.057 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 24.162 -10.578 -1.485 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 24.585 -11.453 -1.467 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 23.596 -10.571 -0.694 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 19.740 -8.998 20.371 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 19.852 -9.436 19.494 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.015 -8.068 20.209 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 22.806 -10.822 1.014 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 23.547 -11.429 1.244 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 22.852 -10.131 1.683 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 20.080 -14.795 11.040 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 20.194 -14.116 10.350 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 19.153 -15.093 10.928 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 25.367 -13.117 -1.276 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.915 -13.443 -2.098 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 26.308 -13.184 -1.486 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 18.053 -15.914 13.508 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 17.637 -15.967 12.637 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 17.306 -16.043 14.145 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 26.218 -18.080 10.902 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 27.105 -17.903 11.273 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 25.941 -18.914 11.339 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 27.593 -15.299 13.361 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 28.050 -15.761 12.639 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 27.675 -15.905 14.117 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 23.517 -14.797 14.974 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 23.072 -15.416 15.591 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 22.787 -14.447 14.421 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 22.756 -16.377 9.307 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 22.402 -16.669 10.184 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 23.627 -15.978 9.523 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 21.518 -17.198 11.550 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 21.305 -17.709 12.356 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 20.937 -16.415 11.601 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 28.611 -17.705 12.273 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 28.394 -17.836 13.216 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 29.373 -18.275 12.123 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 22.786 -19.174 16.957 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 23.225 -19.215 17.825 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 22.986 -20.040 16.543 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 18.614 -8.829 -1.353 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 19.353 -9.397 -1.057 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 18.791 -8.692 -2.314 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 16.900 -9.471 7.356 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 16.302 -8.752 7.074 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 17.201 -9.197 8.246 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 23.198 -18.820 8.220 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 22.849 -17.977 8.592 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.135 -18.641 8.080 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 20.913 -19.127 6.559 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 20.332 -19.750 7.047 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 21.745 -19.123 7.077 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 16.840 -2.858 -4.746 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 17.150 -2.645 -5.654 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 16.287 -2.089 -4.494 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 24.482 -14.838 2.429 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 24.629 -13.903 2.175 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 25.135 -15.000 3.132 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 18.229 -13.156 17.051 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 18.631 -13.067 17.918 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 17.899 -14.094 17.032 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 22.111 -16.560 16.734 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 22.390 -17.498 16.838 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 21.207 -16.621 16.354 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 27.726 -17.619 14.971 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 26.804 -17.914 14.945 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 28.173 -18.285 15.550 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 28.482 -11.092 22.326 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 28.337 -10.151 22.095 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 29.272 -11.079 22.897 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 32.040 -9.870 23.559 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 31.377 -10.435 24.014 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 32.850 -10.385 23.591 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 22.452 -9.183 24.628 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 21.579 -9.369 24.223 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.032 -9.005 23.863 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 28.082 -10.328 26.172 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 27.881 -9.383 26.218 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 28.017 -10.632 27.113 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 27.660 -16.416 28.702 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 26.704 -16.547 28.848 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 27.911 -17.137 28.083 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 28.678 -18.182 26.795 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 28.221 -17.975 25.953 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 29.523 -17.680 26.738 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 27.970 -8.378 22.239 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 28.933 -8.169 22.330 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 27.549 -7.502 22.111 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 23.539 -8.061 31.526 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 23.159 -7.639 30.730 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.774 -8.505 31.949 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 21.342 -7.160 22.415 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 21.032 -6.752 21.570 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 21.701 -6.402 22.929 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 25.823 -20.301 23.834 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 26.582 -19.806 24.174 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 26.224 -21.067 23.376 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 25.101 -10.947 16.419 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 25.538 -10.855 15.544 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 25.133 -11.913 16.598 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 26.346 -11.090 13.947 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 27.096 -10.596 13.598 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 26.391 -11.945 13.497 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 30.583 -7.837 22.514 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 31.210 -7.132 22.338 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 31.135 -8.563 22.890 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 29.982 -12.947 30.190 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 29.724 -12.035 30.441 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 30.862 -13.069 30.620 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 24.984 -6.697 24.136 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 25.608 -6.273 23.513 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.205 -7.650 24.080 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 26.235 -7.536 30.943 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 26.113 -6.640 30.596 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 25.326 -7.856 31.094 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 30.038 -17.421 21.085 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 29.686 -18.161 21.632 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 30.956 -17.664 20.923 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 25.795 -9.287 23.609 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 26.608 -9.029 23.121 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 25.207 -9.643 22.919 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.181 -9.591 33.378 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 21.453 -10.230 33.370 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 22.082 -9.128 34.243 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 18.998 -6.889 23.808 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 18.312 -7.395 23.333 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 19.831 -7.147 23.368 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 25.952 -4.801 33.187 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 25.172 -4.438 33.652 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 25.659 -4.875 32.254 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 23.318 -8.907 21.956 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 23.050 -9.587 21.295 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 22.526 -8.322 22.035 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 22.168 -24.341 28.151 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 22.894 -24.740 27.631 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 22.597 -24.057 28.981 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 27.412 -20.641 33.023 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.004 -21.391 32.931 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 27.112 -20.686 33.955 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 27.866 -15.943 31.355 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 28.580 -16.481 31.720 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 27.922 -16.101 30.384 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 27.371 -15.862 17.329 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 27.742 -16.264 16.529 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 26.850 -16.589 17.740 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 27.686 -13.662 21.847 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 28.097 -12.775 21.762 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 27.933 -14.124 21.007 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 28.912 -13.813 25.162 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 29.052 -14.082 26.099 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 29.184 -14.599 24.643 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 26.059 -18.124 18.174 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 25.173 -18.148 18.576 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 26.311 -19.067 18.099 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 27.258 -13.322 30.258 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 27.020 -14.168 30.661 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 28.227 -13.263 30.385 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 23.397 -17.490 26.955 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 23.462 -18.007 26.139 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.691 -18.109 27.657 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 22.353 -15.053 19.111 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 21.831 -15.536 19.782 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 22.204 -15.554 18.283 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 23.212 -10.850 20.095 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 23.719 -10.309 19.460 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 23.308 -11.767 19.755 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 28.612 -15.219 19.811 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 28.272 -15.350 18.904 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 29.064 -16.056 20.021 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 28.949 -10.553 31.185 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 28.999 -9.606 31.428 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 28.806 -11.012 32.047 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 29.102 -15.710 23.111 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 29.502 -16.226 22.380 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 28.565 -15.026 22.654 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 25.381 -9.648 18.825 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 25.319 -10.012 17.911 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 26.133 -10.115 19.213 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 28.707 -7.958 32.118 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 28.714 -7.177 32.709 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 27.866 -7.867 31.616 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 30.070 -11.398 24.638 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 29.512 -10.911 25.283 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 29.859 -12.340 24.806 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.594 -5.997 21.946 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.850 -5.150 21.566 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 25.974 -6.384 21.280 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 19.360 -3.951 19.453 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 18.906 -3.741 20.301 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 19.293 -3.140 18.945 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 27.704 -11.031 28.780 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 28.171 -10.644 29.551 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 27.360 -11.884 29.119 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.130 -6.611 29.077 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 22.180 -6.734 29.288 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 23.180 -6.748 28.105 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 24.935 -7.364 20.288 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 24.302 -7.770 20.914 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 25.198 -8.104 19.703 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 25.895 -20.248 30.740 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 26.527 -20.215 31.492 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 25.063 -20.579 31.142 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 27.555 -17.512 24.400 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 28.229 -16.867 24.082 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 26.707 -17.142 24.072 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 22.921 -15.615 28.949 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 23.779 -15.794 29.383 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 22.948 -16.161 28.135 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 29.372 -14.398 27.847 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 28.700 -15.006 28.227 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 29.624 -13.817 28.601 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 22.609 -9.684 16.536 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 22.259 -9.995 15.681 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 23.498 -10.089 16.587 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 18.195 -3.175 21.782 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 18.877 -3.550 22.389 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 17.510 -2.851 22.371 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 23.463 -4.253 34.330 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 22.872 -5.044 34.230 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 22.851 -3.511 34.390 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 31.188 -6.061 34.255 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 31.610 -5.207 34.115 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 30.233 -5.889 34.081 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 19.482 -7.409 32.981 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 18.818 -7.586 33.684 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 19.488 -8.229 32.452 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 24.292 -13.187 19.267 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 23.588 -13.878 19.284 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 24.755 -13.344 18.420 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 32.393 -12.738 31.466 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 32.375 -12.156 32.259 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 33.278 -12.623 31.114 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 25.275 -11.656 21.836 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 25.617 -12.391 21.303 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 24.505 -11.335 21.328 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 25.385 -13.693 16.751 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 24.777 -14.127 16.112 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 26.094 -14.350 16.892 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 20.180 -22.444 32.601 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 19.474 -22.156 33.236 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 19.929 -23.359 32.367 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 29.417 -14.055 34.798 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 28.547 -14.412 34.528 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 29.766 -14.714 35.400 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 32.689 -10.931 33.486 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 32.132 -10.134 33.338 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 32.786 -10.974 34.439 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 23.992 -19.252 29.001 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 23.554 -20.111 29.036 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 24.858 -19.410 29.439 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 25.251 -16.402 30.327 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 24.574 -16.926 30.797 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 25.974 -16.313 30.973 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 24.193 -21.682 34.092 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 24.065 -21.557 33.130 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 23.514 -22.354 34.337 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 23.127 -17.896 31.372 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 23.250 -18.322 30.501 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 22.387 -18.390 31.774 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 22.557 -7.284 18.354 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 22.548 -7.994 17.687 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 23.480 -7.228 18.632 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 19.919 -4.306 23.544 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 19.478 -5.157 23.750 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 20.843 -4.446 23.819 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 30.711 -16.382 26.547 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 30.375 -15.643 27.098 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 31.599 -16.110 26.302 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 21.662 -6.259 34.210 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 21.712 -6.967 34.887 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 20.864 -6.490 33.688 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 23.254 -7.125 26.313 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 24.001 -6.903 25.723 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 22.848 -7.914 25.895 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 22.449 -5.414 24.219 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 22.301 -5.798 25.101 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 23.398 -5.570 24.050 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 23.385 -19.295 24.510 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 24.291 -19.647 24.322 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 22.927 -20.034 24.927 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 29.120 -19.259 22.922 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 29.228 -20.071 23.450 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 28.588 -18.674 23.493 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 26.811 -23.041 19.737 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 26.173 -23.175 19.002 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 26.824 -23.905 20.201 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 20.528 -6.370 19.968 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 21.220 -6.523 19.284 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 20.117 -5.511 19.708 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 23.423 -21.178 31.506 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 22.533 -20.859 31.739 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 23.274 -22.102 31.183 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 30.520 -8.943 38.666 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 31.385 -9.266 38.939 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 30.656 -8.657 37.728 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 26.199 -12.594 34.982 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 25.387 -12.851 35.473 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 26.519 -13.441 34.605 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 31.168 -8.204 36.156 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 31.019 -8.741 35.357 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 31.294 -7.303 35.812 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 19.843 -15.977 37.382 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 19.761 -15.005 37.289 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 19.151 -16.337 36.781 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 31.100 -8.700 33.417 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 30.273 -8.650 32.898 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 31.340 -7.765 33.573 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 24.202 -19.191 35.209 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 25.021 -19.327 35.707 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 24.073 -20.039 34.730 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 27.389 -10.017 40.908 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 27.767 -9.115 40.763 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 27.942 -10.394 41.598 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 24.945 -17.108 33.451 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 24.727 -17.721 34.180 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 24.260 -17.285 32.783 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 17.953 -16.786 40.471 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 18.481 -17.370 39.880 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 18.593 -16.455 41.110 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 17.912 -17.309 36.003 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 17.006 -17.169 35.668 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 18.274 -18.026 35.423 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 23.510 -10.373 38.255 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 23.853 -10.543 39.161 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 23.701 -9.430 38.102 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 23.659 -11.048 35.643 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 22.890 -11.637 35.509 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 23.640 -10.848 36.609 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 22.582 -16.040 37.118 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 22.698 -16.999 37.116 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 21.632 -15.916 37.316 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 27.896 -9.901 38.232 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 28.819 -9.611 38.347 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 27.600 -10.122 39.137 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 26.979 -15.026 33.825 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 26.227 -15.644 33.944 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 27.314 -15.233 32.929 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 27.182 -6.922 35.863 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 26.886 -7.852 35.866 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 26.376 -6.413 36.078 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 19.665 -13.139 37.141 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 19.937 -12.202 37.216 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 18.726 -13.136 37.415 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 28.830 -7.753 40.452 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 29.463 -8.113 39.793 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 28.838 -6.804 40.293 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 28.506 -5.791 33.815 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 27.742 -5.269 33.490 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 28.171 -6.205 34.648 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 24.581 -5.094 30.818 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 23.881 -4.475 31.047 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 24.185 -5.649 30.106 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 26.265 -9.596 36.097 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 26.894 -9.628 36.862 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 25.982 -10.520 35.993 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 19.683 -10.406 36.458 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 19.647 -10.490 35.487 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 18.757 -10.229 36.716 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 24.106 -8.015 36.982 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 24.350 -7.087 36.787 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 24.832 -8.541 36.591 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 24.680 -10.562 40.702 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 25.637 -10.354 40.697 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 24.542 -11.019 41.533 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 23.959 -14.041 35.775 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 23.130 -13.598 35.532 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 23.671 -14.793 36.335 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 21.647 -8.489 35.838 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 22.452 -8.426 36.399 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 21.063 -9.106 36.325 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 21.517 -12.696 35.124 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 20.880 -12.247 34.537 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 20.960 -13.071 35.837 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 24.996 -7.402 33.745 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 24.376 -7.373 32.991 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 25.483 -6.561 33.684 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 28.462 -11.773 33.580 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 27.677 -11.879 34.148 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 29.113 -12.398 33.959 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 24.898 -5.425 36.408 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 24.982 -4.707 37.044 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 24.397 -5.029 35.664 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 19.684 -20.401 36.832 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 19.251 -20.256 35.952 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 20.537 -19.920 36.754 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 21.737 -18.684 36.306 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 22.616 -18.935 35.945 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 21.365 -18.099 35.633 1.00 0.00 WAT1 END