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: -840.237, 82.5572, 106.985, 43.613, 559.396, -599.506, -1036.18, 2.89293, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.426449E-03,0.4405,1.08289,42.2001,4.012312E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 34, 0 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 22.159 1.092 10.505 1.00 12.21 ATOM 2 CB MET 1 22.593 2.665 9.106 1.00 44.12 ATOM 3 HB1 MET 1 21.663 2.539 8.570 1.00 38.48 ATOM 4 HB2 MET 1 23.375 2.907 8.400 1.00 73.40 ATOM 5 CG MET 1 22.435 3.839 10.064 1.00 73.33 ATOM 6 HG1 MET 1 23.340 3.932 10.647 1.00 38.48 ATOM 7 HG2 MET 1 21.604 3.637 10.723 1.00 44.53 ATOM 8 SD MET 1 22.126 5.405 9.220 1.00 4.45 ATOM 9 CE MET 1 22.018 6.527 10.620 1.00 73.05 ATOM 10 HE1 MET 1 21.851 7.532 10.263 1.00 54.13 ATOM 11 HE2 MET 1 22.941 6.493 11.182 1.00 33.41 ATOM 12 HE3 MET 1 21.197 6.231 11.256 1.00 54.01 ATOM 13 C MET 1 23.051 0.215 8.764 1.00 12.24 ATOM 14 O MET 1 23.770 0.344 7.772 1.00 2.10 ATOM 15 N MET 1 24.216 1.482 10.573 1.00 70.44 ATOM 16 HT1 MET 1 25.001 1.724 9.930 1.00 38.48 ATOM 17 HT2 MET 1 24.449 0.589 11.055 1.00 38.48 ATOM 18 HT3 MET 1 24.127 2.231 11.290 1.00 38.48 ATOM 19 CA MET 1 22.946 1.340 9.806 1.00 5.05 ATOM 20 N GLY 2 22.342 -0.891 8.999 1.00 33.11 ATOM 21 HN GLY 2 21.801 -0.949 9.815 1.00 38.48 ATOM 22 CA GLY 2 22.360 -2.013 8.061 1.00 10.33 ATOM 23 HA1 GLY 2 23.345 -2.087 7.622 1.00 38.48 ATOM 24 HA2 GLY 2 21.647 -1.816 7.275 1.00 74.14 ATOM 25 C GLY 2 22.013 -3.352 8.711 1.00 64.24 ATOM 26 O GLY 2 22.622 -3.739 9.710 1.00 10.22 ATOM 27 N HIS 3 21.026 -4.053 8.138 1.00 31.45 ATOM 28 HN HIS 3 20.582 -3.672 7.349 1.00 38.48 ATOM 29 CA HIS 3 20.579 -5.377 8.621 1.00 50.44 ATOM 30 HA HIS 3 19.897 -5.757 7.874 1.00 34.43 ATOM 31 CB HIS 3 21.759 -6.360 8.727 1.00 41.00 ATOM 32 HB1 HIS 3 21.430 -7.260 9.227 1.00 38.48 ATOM 33 HB2 HIS 3 22.548 -5.903 9.307 1.00 12.31 ATOM 34 CG HIS 3 22.335 -6.756 7.400 1.00 10.34 ATOM 35 ND1 HIS 3 23.536 -6.278 6.923 1.00 71.31 ATOM 36 HD1 HIS 3 24.128 -5.647 7.387 1.00 2.15 ATOM 37 CD2 HIS 3 21.869 -7.600 6.448 1.00 42.14 ATOM 38 HD2 HIS 3 20.949 -8.166 6.487 1.00 40.23 ATOM 39 CE1 HIS 3 23.781 -6.803 5.741 1.00 31.22 ATOM 40 HE1 HIS 3 24.652 -6.609 5.132 1.00 33.21 ATOM 41 NE2 HIS 3 22.788 -7.608 5.430 1.00 12.20 ATOM 42 HE2 HIS 3 22.775 -8.209 4.655 1.00 38.48 ATOM 43 C HIS 3 19.807 -5.318 9.958 1.00 41.14 ATOM 44 O HIS 3 18.824 -6.035 10.135 1.00 21.25 ATOM 45 N HIS 4 20.244 -4.485 10.901 1.00 42.41 ATOM 46 HN HIS 4 21.053 -3.959 10.741 1.00 38.48 ATOM 47 CA HIS 4 19.549 -4.363 12.192 1.00 42.33 ATOM 48 HA HIS 4 19.422 -5.362 12.588 1.00 75.24 ATOM 49 CB HIS 4 20.393 -3.544 13.177 1.00 12.45 ATOM 50 HB1 HIS 4 20.369 -2.502 12.886 1.00 38.48 ATOM 51 HB2 HIS 4 21.413 -3.896 13.138 1.00 11.42 ATOM 52 CG HIS 4 19.929 -3.640 14.606 1.00 44.02 ATOM 53 ND1 HIS 4 20.483 -4.518 15.511 1.00 52.45 ATOM 54 HD1 HIS 4 21.205 -5.155 15.321 1.00 14.31 ATOM 55 CD2 HIS 4 18.971 -2.962 15.290 1.00 21.22 ATOM 56 HD2 HIS 4 18.325 -2.191 14.897 1.00 55.33 ATOM 57 CE1 HIS 4 19.894 -4.382 16.681 1.00 63.24 ATOM 58 HE1 HIS 4 20.127 -4.942 17.574 1.00 64.22 ATOM 59 NE2 HIS 4 18.974 -3.445 16.577 1.00 24.20 ATOM 60 HE2 HIS 4 18.493 -3.048 17.335 1.00 38.48 ATOM 61 C HIS 4 18.159 -3.723 12.018 1.00 22.42 ATOM 62 O HIS 4 17.201 -4.096 12.700 1.00 62.12 ATOM 63 N HIS 5 18.063 -2.749 11.111 1.00 12.35 ATOM 64 HN HIS 5 18.877 -2.442 10.659 1.00 38.48 ATOM 65 CA HIS 5 16.778 -2.117 10.784 1.00 51.14 ATOM 66 HA HIS 5 16.265 -1.916 11.715 1.00 64.14 ATOM 67 CB HIS 5 17.007 -0.787 10.044 1.00 52.34 ATOM 68 HB1 HIS 5 17.455 -0.991 9.082 1.00 38.48 ATOM 69 HB2 HIS 5 17.683 -0.174 10.623 1.00 24.43 ATOM 70 CG HIS 5 15.752 0.011 9.809 1.00 34.50 ATOM 71 ND1 HIS 5 15.541 0.775 8.678 1.00 23.14 ATOM 72 HD1 HIS 5 16.169 0.884 7.932 1.00 73.02 ATOM 73 CD2 HIS 5 14.644 0.174 10.574 1.00 31.54 ATOM 74 HD2 HIS 5 14.460 -0.276 11.540 1.00 61.13 ATOM 75 CE1 HIS 5 14.365 1.365 8.757 1.00 64.44 ATOM 76 HE1 HIS 5 13.935 2.020 8.014 1.00 23.10 ATOM 77 NE2 HIS 5 13.803 1.018 9.894 1.00 20.42 ATOM 78 HE2 HIS 5 12.877 1.221 10.147 1.00 38.48 ATOM 79 C HIS 5 15.907 -3.065 9.937 1.00 15.33 ATOM 80 O HIS 5 14.769 -3.362 10.297 1.00 54.15 ATOM 81 N HIS 6 16.454 -3.543 8.818 1.00 32.31 ATOM 82 HN HIS 6 17.347 -3.241 8.560 1.00 38.48 ATOM 83 CA HIS 6 15.758 -4.523 7.971 1.00 50.55 ATOM 84 HA HIS 6 14.694 -4.397 8.129 1.00 54.44 ATOM 85 CB HIS 6 16.068 -4.281 6.486 1.00 21.11 ATOM 86 HB1 HIS 6 15.777 -5.154 5.917 1.00 38.48 ATOM 87 HB2 HIS 6 17.129 -4.120 6.369 1.00 63.30 ATOM 88 CG HIS 6 15.356 -3.096 5.905 1.00 43.54 ATOM 89 ND1 HIS 6 14.147 -3.197 5.254 1.00 44.34 ATOM 90 HD1 HIS 6 13.646 -4.031 5.100 1.00 44.24 ATOM 91 CD2 HIS 6 15.689 -1.782 5.867 1.00 72.14 ATOM 92 HD2 HIS 6 16.582 -1.334 6.281 1.00 65.34 ATOM 93 CE1 HIS 6 13.765 -2.005 4.843 1.00 71.13 ATOM 94 HE1 HIS 6 12.856 -1.785 4.303 1.00 15.01 ATOM 95 NE2 HIS 6 14.681 -1.128 5.200 1.00 12.34 ATOM 96 HE2 HIS 6 14.730 -0.207 4.862 1.00 38.48 ATOM 97 C HIS 6 16.138 -5.960 8.363 1.00 21.25 ATOM 98 O HIS 6 17.152 -6.494 7.907 1.00 54.20 ATOM 99 N HIS 7 15.324 -6.576 9.220 1.00 33.32 ATOM 100 HN HIS 7 14.521 -6.108 9.529 1.00 38.48 ATOM 101 CA HIS 7 15.602 -7.935 9.701 1.00 31.33 ATOM 102 HA HIS 7 16.671 -8.091 9.626 1.00 24.24 ATOM 103 CB HIS 7 15.197 -8.081 11.183 1.00 44.23 ATOM 104 HB1 HIS 7 15.697 -7.314 11.757 1.00 38.48 ATOM 105 HB2 HIS 7 15.520 -9.048 11.541 1.00 62.35 ATOM 106 CG HIS 7 13.720 -7.969 11.456 1.00 44.33 ATOM 107 ND1 HIS 7 12.996 -8.953 12.101 1.00 61.34 ATOM 108 HD1 HIS 7 13.355 -9.801 12.441 1.00 52.24 ATOM 109 CD2 HIS 7 12.834 -6.981 11.182 1.00 13.52 ATOM 110 HD2 HIS 7 13.049 -6.047 10.681 1.00 34.21 ATOM 111 CE1 HIS 7 11.737 -8.576 12.207 1.00 55.31 ATOM 112 HE1 HIS 7 10.944 -9.147 12.666 1.00 72.14 ATOM 113 NE2 HIS 7 11.612 -7.386 11.660 1.00 4.54 ATOM 114 HE2 HIS 7 10.755 -6.940 11.478 1.00 38.48 ATOM 115 C HIS 7 14.901 -9.001 8.835 1.00 41.54 ATOM 116 O HIS 7 13.679 -9.152 8.877 1.00 60.34 ATOM 117 N HIS 8 15.684 -9.725 8.036 1.00 31.10 ATOM 118 HN HIS 8 16.637 -9.509 7.988 1.00 38.48 ATOM 119 CA HIS 8 15.150 -10.824 7.218 1.00 55.23 ATOM 120 HA HIS 8 14.294 -10.441 6.679 1.00 10.32 ATOM 121 CB HIS 8 16.198 -11.308 6.202 1.00 60.14 ATOM 122 HB1 HIS 8 16.458 -10.488 5.545 1.00 38.48 ATOM 123 HB2 HIS 8 15.774 -12.108 5.612 1.00 22.25 ATOM 124 CG HIS 8 17.466 -11.821 6.825 1.00 35.31 ATOM 125 ND1 HIS 8 17.714 -13.160 7.040 1.00 34.23 ATOM 126 HD1 HIS 8 17.108 -13.899 6.817 1.00 44.23 ATOM 127 CD2 HIS 8 18.563 -11.167 7.278 1.00 24.02 ATOM 128 HD2 HIS 8 18.720 -10.096 7.275 1.00 51.40 ATOM 129 CE1 HIS 8 18.898 -13.305 7.596 1.00 43.24 ATOM 130 HE1 HIS 8 19.351 -14.244 7.878 1.00 62.43 ATOM 131 NE2 HIS 8 19.435 -12.115 7.751 1.00 63.45 ATOM 132 HE2 HIS 8 20.376 -11.953 7.974 1.00 38.48 ATOM 133 C HIS 8 14.690 -11.995 8.102 1.00 21.42 ATOM 134 O HIS 8 15.406 -12.416 9.011 1.00 64.33 ATOM 135 N SER 9 13.496 -12.511 7.830 1.00 22.11 ATOM 136 HN SER 9 12.979 -12.144 7.081 1.00 38.48 ATOM 137 CA SER 9 12.926 -13.613 8.618 1.00 1.23 ATOM 138 HA SER 9 13.239 -13.481 9.645 1.00 61.22 ATOM 139 CB SER 9 11.392 -13.565 8.565 1.00 3.22 ATOM 140 HB1 SER 9 11.063 -13.732 7.549 1.00 38.48 ATOM 141 HB2 SER 9 11.053 -12.593 8.894 1.00 10.25 ATOM 142 OG SER 9 10.807 -14.556 9.402 1.00 32.23 ATOM 143 HG SER 9 10.738 -14.213 10.304 1.00 71.41 ATOM 144 C SER 9 13.423 -14.984 8.130 1.00 31.14 ATOM 145 O SER 9 14.229 -15.077 7.201 1.00 2.21 ATOM 146 N HIS 10 12.930 -16.044 8.763 1.00 23.02 ATOM 147 HN HIS 10 12.252 -15.906 9.457 1.00 38.48 ATOM 148 CA HIS 10 13.354 -17.413 8.455 1.00 5.23 ATOM 149 HA HIS 10 13.438 -17.505 7.382 1.00 42.15 ATOM 150 CB HIS 10 14.726 -17.680 9.094 1.00 20.43 ATOM 151 HB1 HIS 10 14.643 -17.564 10.166 1.00 38.48 ATOM 152 HB2 HIS 10 15.437 -16.959 8.718 1.00 33.43 ATOM 153 CG HIS 10 15.278 -19.047 8.820 1.00 34.12 ATOM 154 ND1 HIS 10 15.280 -20.058 9.753 1.00 53.11 ATOM 155 HD1 HIS 10 14.930 -19.991 10.671 1.00 14.50 ATOM 156 CD2 HIS 10 15.855 -19.567 7.711 1.00 75.15 ATOM 157 HD2 HIS 10 16.023 -19.055 6.773 1.00 63.23 ATOM 158 CE1 HIS 10 15.831 -21.135 9.237 1.00 62.41 ATOM 159 HE1 HIS 10 15.964 -22.081 9.742 1.00 62.33 ATOM 160 NE2 HIS 10 16.188 -20.865 8.002 1.00 52.24 ATOM 161 HE2 HIS 10 16.532 -21.521 7.361 1.00 38.48 ATOM 162 C HIS 10 12.313 -18.425 8.963 1.00 31.21 ATOM 163 O HIS 10 11.492 -18.098 9.825 1.00 42.15 ATOM 164 N MET 11 12.328 -19.647 8.424 1.00 32.43 ATOM 165 HN MET 11 12.973 -19.852 7.714 1.00 38.48 ATOM 166 CA MET 11 11.385 -20.684 8.860 1.00 34.10 ATOM 167 HA MET 11 10.911 -20.332 9.767 1.00 2.42 ATOM 168 CB MET 11 10.294 -20.898 7.793 1.00 31.50 ATOM 169 HB1 MET 11 10.737 -21.390 6.938 1.00 38.48 ATOM 170 HB2 MET 11 9.920 -19.931 7.484 1.00 74.53 ATOM 171 CG MET 11 9.108 -21.736 8.268 1.00 34.22 ATOM 172 HG1 MET 11 8.366 -21.763 7.483 1.00 38.48 ATOM 173 HG2 MET 11 8.682 -21.267 9.144 1.00 22.52 ATOM 174 SD MET 11 9.561 -23.432 8.694 1.00 62.11 ATOM 175 CE MET 11 7.987 -24.079 9.255 1.00 44.15 ATOM 176 HE1 MET 11 7.638 -23.498 10.096 1.00 3.41 ATOM 177 HE2 MET 11 8.108 -25.109 9.556 1.00 53.41 ATOM 178 HE3 MET 11 7.267 -24.022 8.451 1.00 41.41 ATOM 179 C MET 11 12.098 -22.012 9.175 1.00 61.42 ATOM 180 O MET 11 12.462 -22.772 8.276 1.00 15.13 ATOM 181 N ASN 12 12.322 -22.256 10.461 1.00 75.44 ATOM 182 HN ASN 12 12.177 -21.528 11.106 1.00 38.48 ATOM 183 CA ASN 12 12.799 -23.553 10.957 1.00 43.34 ATOM 184 HA ASN 12 12.882 -24.229 10.116 1.00 13.45 ATOM 185 CB ASN 12 14.184 -23.390 11.621 1.00 14.32 ATOM 186 HB1 ASN 12 14.092 -22.725 12.467 1.00 38.48 ATOM 187 HB2 ASN 12 14.864 -22.950 10.905 1.00 63.13 ATOM 188 CG ASN 12 14.794 -24.699 12.110 1.00 73.45 ATOM 189 OD1 ASN 12 14.095 -25.634 12.478 1.00 33.44 ATOM 190 ND2 ASN 12 16.110 -24.768 12.134 1.00 50.22 ATOM 191 HD21 ASN 12 16.620 -23.985 11.842 1.00 24.23 ATOM 192 HD22 ASN 12 16.521 -25.605 12.439 1.00 22.53 ATOM 193 C ASN 12 11.774 -24.117 11.955 1.00 21.02 ATOM 194 O ASN 12 11.197 -23.366 12.748 1.00 11.24 ATOM 195 N SER 13 11.545 -25.432 11.916 1.00 31.42 ATOM 196 HN SER 13 12.043 -25.983 11.272 1.00 38.48 ATOM 197 CA SER 13 10.568 -26.083 12.810 1.00 1.43 ATOM 198 HA SER 13 9.589 -25.700 12.558 1.00 74.20 ATOM 199 CB SER 13 10.570 -27.606 12.602 1.00 52.25 ATOM 200 HB1 SER 13 9.882 -28.064 13.297 1.00 38.48 ATOM 201 HB2 SER 13 11.564 -27.990 12.780 1.00 41.01 ATOM 202 OG SER 13 10.185 -27.959 11.282 1.00 5.23 ATOM 203 HG SER 13 10.541 -28.837 11.075 1.00 3.22 ATOM 204 C SER 13 10.849 -25.772 14.291 1.00 53.34 ATOM 205 O SER 13 9.943 -25.797 15.123 1.00 61.14 ATOM 206 N ALA 14 12.107 -25.477 14.611 1.00 12.21 ATOM 207 HN ALA 14 12.791 -25.490 13.905 1.00 38.48 ATOM 208 CA ALA 14 12.506 -25.153 15.986 1.00 62.40 ATOM 209 HA ALA 14 12.011 -25.852 16.648 1.00 43.23 ATOM 210 CB ALA 14 14.009 -25.341 16.149 1.00 11.35 ATOM 211 HB1 ALA 14 14.534 -24.675 15.478 1.00 51.41 ATOM 212 HB2 ALA 14 14.272 -26.363 15.917 1.00 32.55 ATOM 213 HB3 ALA 14 14.293 -25.120 17.168 1.00 71.44 ATOM 214 C ALA 14 12.104 -23.724 16.389 1.00 62.20 ATOM 215 O ALA 14 11.610 -23.499 17.493 1.00 51.20 ATOM 216 N GLU 15 12.304 -22.768 15.484 1.00 54.43 ATOM 217 HN GLU 15 12.618 -23.020 14.590 1.00 38.48 ATOM 218 CA GLU 15 12.055 -21.345 15.775 1.00 75.53 ATOM 219 HA GLU 15 12.720 -21.057 16.578 1.00 5.52 ATOM 220 CB GLU 15 12.384 -20.498 14.538 1.00 2.31 ATOM 221 HB1 GLU 15 12.206 -19.457 14.769 1.00 38.48 ATOM 222 HB2 GLU 15 11.731 -20.795 13.728 1.00 30.52 ATOM 223 CG GLU 15 13.829 -20.645 14.067 1.00 64.12 ATOM 224 HG1 GLU 15 14.048 -21.698 13.944 1.00 38.48 ATOM 225 HG2 GLU 15 14.481 -20.235 14.825 1.00 12.03 ATOM 226 CD GLU 15 14.105 -19.937 12.747 1.00 4.22 ATOM 227 OE1 GLU 15 13.286 -20.067 11.814 1.00 3.30 ATOM 228 OE2 GLU 15 15.161 -19.288 12.619 1.00 34.30 ATOM 229 C GLU 15 10.606 -21.090 16.225 1.00 33.31 ATOM 230 O GLU 15 10.368 -20.505 17.283 1.00 64.52 ATOM 231 N GLN 16 9.643 -21.535 15.419 1.00 73.22 ATOM 232 HN GLN 16 9.891 -21.934 14.560 1.00 38.48 ATOM 233 CA GLN 16 8.220 -21.423 15.772 1.00 54.03 ATOM 234 HA GLN 16 7.970 -20.371 15.807 1.00 63.44 ATOM 235 CB GLN 16 7.357 -22.105 14.700 1.00 31.41 ATOM 236 HB1 GLN 16 7.509 -21.598 13.757 1.00 38.48 ATOM 237 HB2 GLN 16 6.315 -22.016 14.981 1.00 72.31 ATOM 238 CG GLN 16 7.680 -23.587 14.507 1.00 71.23 ATOM 239 HG1 GLN 16 7.552 -24.095 15.453 1.00 38.48 ATOM 240 HG2 GLN 16 8.710 -23.676 14.193 1.00 34.44 ATOM 241 CD GLN 16 6.805 -24.265 13.467 1.00 71.11 ATOM 242 OE1 GLN 16 6.355 -23.644 12.511 1.00 41.45 ATOM 243 NE2 GLN 16 6.558 -25.548 13.646 1.00 3.24 ATOM 244 HE21 GLN 16 6.945 -25.988 14.429 1.00 13.34 ATOM 245 HE22 GLN 16 5.998 -26.003 12.986 1.00 60.20 ATOM 246 C GLN 16 7.933 -22.049 17.150 1.00 4.43 ATOM 247 O GLN 16 7.146 -21.520 17.937 1.00 45.03 ATOM 248 N THR 17 8.591 -23.173 17.436 1.00 41.32 ATOM 249 HN THR 17 9.203 -23.547 16.771 1.00 38.48 ATOM 250 CA THR 17 8.423 -23.869 18.717 1.00 22.12 ATOM 251 HA THR 17 7.365 -24.050 18.855 1.00 23.04 ATOM 252 CB THR 17 9.150 -25.239 18.719 1.00 0.04 ATOM 253 HB THR 17 10.213 -25.066 18.621 1.00 11.21 ATOM 254 OG1 THR 17 8.702 -26.032 17.609 1.00 10.25 ATOM 255 HG1 THR 17 9.427 -26.159 16.990 1.00 25.21 ATOM 256 CG2 THR 17 8.895 -26.003 20.015 1.00 44.01 ATOM 257 HG21 THR 17 9.403 -26.957 19.977 1.00 60.43 ATOM 258 HG22 THR 17 7.834 -26.168 20.135 1.00 31.21 ATOM 259 HG23 THR 17 9.266 -25.432 20.853 1.00 63.14 ATOM 260 C THR 17 8.935 -23.013 19.885 1.00 30.23 ATOM 261 O THR 17 8.351 -23.017 20.967 1.00 71.40 ATOM 262 N VAL 18 10.020 -22.268 19.654 1.00 25.31 ATOM 263 HN VAL 18 10.478 -22.350 18.789 1.00 38.48 ATOM 264 CA VAL 18 10.544 -21.333 20.658 1.00 63.25 ATOM 265 HA VAL 18 10.810 -21.907 21.536 1.00 5.41 ATOM 266 CB VAL 18 11.814 -20.592 20.155 1.00 54.22 ATOM 267 HB VAL 18 11.539 -19.996 19.294 1.00 40.35 ATOM 268 CG1 VAL 18 12.357 -19.647 21.228 1.00 73.11 ATOM 269 HG11 VAL 18 13.253 -19.164 20.865 1.00 23.13 ATOM 270 HG12 VAL 18 12.589 -20.208 22.122 1.00 35.21 ATOM 271 HG13 VAL 18 11.615 -18.897 21.458 1.00 52.20 ATOM 272 CG2 VAL 18 12.889 -21.587 19.719 1.00 14.31 ATOM 273 HG21 VAL 18 13.180 -22.196 20.562 1.00 64.04 ATOM 274 HG22 VAL 18 13.750 -21.051 19.348 1.00 74.33 ATOM 275 HG23 VAL 18 12.499 -22.223 18.937 1.00 62.43 ATOM 276 C VAL 18 9.473 -20.300 21.048 1.00 22.21 ATOM 277 O VAL 18 9.124 -20.163 22.223 1.00 31.25 ATOM 278 N THR 19 8.939 -19.591 20.049 1.00 1.11 ATOM 279 HN THR 19 9.287 -19.715 19.138 1.00 38.48 ATOM 280 CA THR 19 7.851 -18.627 20.274 1.00 54.51 ATOM 281 HA THR 19 8.224 -17.848 20.927 1.00 63.51 ATOM 282 CB THR 19 7.380 -17.971 18.949 1.00 31.22 ATOM 283 HB THR 19 6.998 -18.746 18.296 1.00 52.43 ATOM 284 OG1 THR 19 8.477 -17.315 18.292 1.00 41.20 ATOM 285 HG1 THR 19 8.131 -16.731 17.602 1.00 64.54 ATOM 286 CG2 THR 19 6.267 -16.959 19.204 1.00 0.53 ATOM 287 HG21 THR 19 6.632 -16.180 19.858 1.00 22.11 ATOM 288 HG22 THR 19 5.426 -17.455 19.668 1.00 23.33 ATOM 289 HG23 THR 19 5.953 -16.524 18.265 1.00 70.22 ATOM 290 C THR 19 6.640 -19.301 20.940 1.00 44.04 ATOM 291 O THR 19 6.021 -18.741 21.845 1.00 12.24 ATOM 292 N TRP 20 6.320 -20.512 20.488 1.00 42.52 ATOM 293 HN TRP 20 6.856 -20.904 19.767 1.00 38.48 ATOM 294 CA TRP 20 5.191 -21.281 21.026 1.00 74.35 ATOM 295 HA TRP 20 4.294 -20.698 20.868 1.00 44.04 ATOM 296 CB TRP 20 5.063 -22.605 20.260 1.00 73.24 ATOM 297 HB1 TRP 20 5.939 -23.209 20.454 1.00 38.48 ATOM 298 HB2 TRP 20 5.009 -22.395 19.201 1.00 33.04 ATOM 299 CG TRP 20 3.852 -23.414 20.628 1.00 31.13 ATOM 300 CD1 TRP 20 2.556 -22.983 20.658 1.00 42.42 ATOM 301 HD1 TRP 20 2.245 -21.973 20.429 1.00 40.43 ATOM 302 CD2 TRP 20 3.824 -24.801 20.988 1.00 60.43 ATOM 303 NE1 TRP 20 1.727 -24.014 21.022 1.00 3.54 ATOM 304 HE1 TRP 20 0.753 -23.952 21.120 1.00 42.42 ATOM 305 CE2 TRP 20 2.480 -25.140 21.235 1.00 31.00 ATOM 306 CE3 TRP 20 4.806 -25.786 21.132 1.00 64.21 ATOM 307 HE3 TRP 20 5.849 -25.565 20.953 1.00 34.21 ATOM 308 CZ2 TRP 20 2.095 -26.423 21.612 1.00 70.20 ATOM 309 HZ2 TRP 20 1.061 -26.678 21.799 1.00 75.24 ATOM 310 CZ3 TRP 20 4.422 -27.058 21.508 1.00 23.22 ATOM 311 HZ3 TRP 20 5.167 -27.833 21.623 1.00 73.23 ATOM 312 CH2 TRP 20 3.076 -27.368 21.744 1.00 54.35 ATOM 313 HH2 TRP 20 2.822 -28.375 22.038 1.00 30.24 ATOM 314 C TRP 20 5.351 -21.540 22.538 1.00 34.32 ATOM 315 O TRP 20 4.419 -21.334 23.318 1.00 54.23 ATOM 316 N LEU 21 6.543 -21.970 22.950 1.00 24.14 ATOM 317 HN LEU 21 7.248 -22.132 22.285 1.00 38.48 ATOM 318 CA LEU 21 6.831 -22.212 24.370 1.00 64.53 ATOM 319 HA LEU 21 6.071 -22.880 24.753 1.00 51.41 ATOM 320 CB LEU 21 8.206 -22.881 24.525 1.00 65.02 ATOM 321 HB1 LEU 21 8.410 -22.997 25.580 1.00 38.48 ATOM 322 HB2 LEU 21 8.951 -22.219 24.105 1.00 14.03 ATOM 323 CG LEU 21 8.355 -24.258 23.855 1.00 33.53 ATOM 324 HG LEU 21 8.188 -24.151 22.791 1.00 24.33 ATOM 325 CD1 LEU 21 9.767 -24.803 24.049 1.00 60.01 ATOM 326 HD11 LEU 21 10.479 -24.113 23.621 1.00 64.24 ATOM 327 HD12 LEU 21 9.855 -25.760 23.555 1.00 0.34 ATOM 328 HD13 LEU 21 9.969 -24.922 25.104 1.00 65.23 ATOM 329 CD2 LEU 21 7.321 -25.241 24.396 1.00 5.33 ATOM 330 HD21 LEU 21 6.327 -24.870 24.186 1.00 72.52 ATOM 331 HD22 LEU 21 7.446 -25.349 25.464 1.00 21.13 ATOM 332 HD23 LEU 21 7.452 -26.203 23.919 1.00 14.02 ATOM 333 C LEU 21 6.790 -20.903 25.184 1.00 50.43 ATOM 334 O LEU 21 6.336 -20.879 26.335 1.00 52.54 ATOM 335 N ILE 22 7.266 -19.818 24.581 1.00 23.33 ATOM 336 HN ILE 22 7.611 -19.895 23.663 1.00 38.48 ATOM 337 CA ILE 22 7.293 -18.511 25.247 1.00 44.45 ATOM 338 HA ILE 22 7.754 -18.650 26.217 1.00 60.01 ATOM 339 CB ILE 22 8.153 -17.494 24.451 1.00 53.31 ATOM 340 HB ILE 22 7.736 -17.410 23.457 1.00 23.34 ATOM 341 CG1 ILE 22 9.604 -17.994 24.343 1.00 22.15 ATOM 342 HG11 ILE 22 9.603 -18.986 23.913 1.00 38.48 ATOM 343 HG12 ILE 22 10.042 -18.039 25.330 1.00 71.13 ATOM 344 CG2 ILE 22 8.102 -16.109 25.100 1.00 24.53 ATOM 345 HG21 ILE 22 8.733 -15.426 24.548 1.00 35.14 ATOM 346 HG22 ILE 22 8.450 -16.174 26.121 1.00 35.42 ATOM 347 HG23 ILE 22 7.084 -15.744 25.090 1.00 63.11 ATOM 348 CD1 ILE 22 10.492 -17.119 23.482 1.00 32.11 ATOM 349 HD11 ILE 22 10.537 -16.124 23.899 1.00 52.21 ATOM 350 HD12 ILE 22 10.089 -17.072 22.480 1.00 44.12 ATOM 351 HD13 ILE 22 11.486 -17.541 23.449 1.00 15.22 ATOM 352 C ILE 22 5.876 -17.942 25.456 1.00 54.41 ATOM 353 O ILE 22 5.550 -17.458 26.544 1.00 11.23 ATOM 354 N THR 23 5.032 -18.016 24.423 1.00 33.22 ATOM 355 HN THR 23 5.331 -18.442 23.589 1.00 38.48 ATOM 356 CA THR 23 3.664 -17.468 24.503 1.00 73.20 ATOM 357 HA THR 23 3.747 -16.454 24.875 1.00 12.04 ATOM 358 CB THR 23 2.974 -17.409 23.115 1.00 41.23 ATOM 359 HB THR 23 3.606 -16.841 22.445 1.00 61.51 ATOM 360 OG1 THR 23 1.704 -16.742 23.224 1.00 53.13 ATOM 361 HG1 THR 23 1.037 -17.235 22.726 1.00 62.13 ATOM 362 CG2 THR 23 2.766 -18.800 22.524 1.00 64.23 ATOM 363 HG21 THR 23 2.328 -18.710 21.541 1.00 73.02 ATOM 364 HG22 THR 23 2.103 -19.371 23.160 1.00 50.22 ATOM 365 HG23 THR 23 3.717 -19.306 22.449 1.00 51.32 ATOM 366 C THR 23 2.782 -18.265 25.479 1.00 32.52 ATOM 367 O THR 23 1.908 -17.702 26.136 1.00 10.34 ATOM 368 N LEU 24 3.026 -19.575 25.584 1.00 40.12 ATOM 369 HN LEU 24 3.699 -19.984 24.995 1.00 38.48 ATOM 370 CA LEU 24 2.305 -20.424 26.546 1.00 23.21 ATOM 371 HA LEU 24 1.264 -20.132 26.521 1.00 25.12 ATOM 372 CB LEU 24 2.410 -21.904 26.138 1.00 60.23 ATOM 373 HB1 LEU 24 1.982 -22.505 26.930 1.00 38.48 ATOM 374 HB2 LEU 24 3.458 -22.158 26.047 1.00 51.52 ATOM 375 CG LEU 24 1.703 -22.275 24.820 1.00 45.32 ATOM 376 HG LEU 24 2.121 -21.684 24.016 1.00 71.32 ATOM 377 CD1 LEU 24 1.927 -23.744 24.478 1.00 50.43 ATOM 378 HD11 LEU 24 1.448 -23.974 23.537 1.00 24.23 ATOM 379 HD12 LEU 24 1.507 -24.366 25.256 1.00 55.14 ATOM 380 HD13 LEU 24 2.987 -23.937 24.397 1.00 2.33 ATOM 381 CD2 LEU 24 0.208 -21.965 24.904 1.00 24.40 ATOM 382 HD21 LEU 24 -0.267 -22.220 23.967 1.00 1.43 ATOM 383 HD22 LEU 24 0.067 -20.914 25.102 1.00 71.11 ATOM 384 HD23 LEU 24 -0.236 -22.545 25.700 1.00 72.43 ATOM 385 C LEU 24 2.828 -20.223 27.982 1.00 2.13 ATOM 386 O LEU 24 2.355 -20.865 28.922 1.00 34.03 ATOM 387 N GLY 25 3.814 -19.337 28.137 1.00 24.34 ATOM 388 HN GLY 25 4.194 -18.907 27.344 1.00 38.48 ATOM 389 CA GLY 25 4.331 -18.992 29.459 1.00 44.51 ATOM 390 HA1 GLY 25 3.498 -18.724 30.094 1.00 38.48 ATOM 391 HA2 GLY 25 4.977 -18.132 29.362 1.00 11.11 ATOM 392 C GLY 25 5.119 -20.114 30.130 1.00 14.24 ATOM 393 O GLY 25 5.389 -20.055 31.332 1.00 30.22 ATOM 394 N VAL 26 5.503 -21.131 29.361 1.00 3.05 ATOM 395 HN VAL 26 5.286 -21.114 28.404 1.00 38.48 ATOM 396 CA VAL 26 6.240 -22.276 29.907 1.00 23.53 ATOM 397 HA VAL 26 5.972 -22.373 30.952 1.00 52.42 ATOM 398 CB VAL 26 5.846 -23.591 29.188 1.00 21.35 ATOM 399 HB VAL 26 6.280 -24.417 29.737 1.00 54.15 ATOM 400 CG1 VAL 26 4.330 -23.764 29.199 1.00 35.55 ATOM 401 HG11 VAL 26 3.974 -23.771 30.220 1.00 35.42 ATOM 402 HG12 VAL 26 4.068 -24.697 28.723 1.00 44.24 ATOM 403 HG13 VAL 26 3.869 -22.946 28.665 1.00 12.51 ATOM 404 CG2 VAL 26 6.386 -23.633 27.759 1.00 2.30 ATOM 405 HG21 VAL 26 6.115 -24.573 27.297 1.00 3.31 ATOM 406 HG22 VAL 26 7.463 -23.539 27.774 1.00 3.41 ATOM 407 HG23 VAL 26 5.963 -22.818 27.188 1.00 73.33 ATOM 408 C VAL 26 7.759 -22.063 29.811 1.00 50.13 ATOM 409 O VAL 26 8.535 -22.683 30.542 1.00 51.34 ATOM 410 N LEU 27 8.167 -21.178 28.903 1.00 21.44 ATOM 411 HN LEU 27 7.496 -20.734 28.342 1.00 38.48 ATOM 412 CA LEU 27 9.582 -20.845 28.707 1.00 73.02 ATOM 413 HA LEU 27 10.140 -21.240 29.546 1.00 73.15 ATOM 414 CB LEU 27 10.101 -21.490 27.410 1.00 62.15 ATOM 415 HB1 LEU 27 9.515 -21.107 26.585 1.00 38.48 ATOM 416 HB2 LEU 27 9.936 -22.558 27.475 1.00 55.31 ATOM 417 CG LEU 27 11.589 -21.249 27.094 1.00 22.42 ATOM 418 HG LEU 27 11.767 -20.184 27.042 1.00 20.41 ATOM 419 CD1 LEU 27 12.481 -21.813 28.198 1.00 53.41 ATOM 420 HD11 LEU 27 12.311 -22.876 28.293 1.00 2.41 ATOM 421 HD12 LEU 27 12.249 -21.327 29.134 1.00 73.31 ATOM 422 HD13 LEU 27 13.517 -21.637 27.950 1.00 44.43 ATOM 423 CD2 LEU 27 11.956 -21.851 25.738 1.00 34.04 ATOM 424 HD21 LEU 27 13.002 -21.670 25.535 1.00 61.12 ATOM 425 HD22 LEU 27 11.357 -21.391 24.966 1.00 21.22 ATOM 426 HD23 LEU 27 11.770 -22.915 25.752 1.00 45.42 ATOM 427 C LEU 27 9.782 -19.321 28.655 1.00 60.21 ATOM 428 O LEU 27 8.901 -18.583 28.204 1.00 72.45 ATOM 429 N GLU 28 10.937 -18.855 29.127 1.00 74.14 ATOM 430 HN GLU 28 11.594 -19.487 29.481 1.00 38.48 ATOM 431 CA GLU 28 11.257 -17.423 29.123 1.00 63.12 ATOM 432 HA GLU 28 10.337 -16.880 29.301 1.00 75.20 ATOM 433 CB GLU 28 12.246 -17.095 30.255 1.00 64.41 ATOM 434 HB1 GLU 28 11.791 -17.359 31.200 1.00 38.48 ATOM 435 HB2 GLU 28 12.440 -16.031 30.249 1.00 15.05 ATOM 436 CG GLU 28 13.584 -17.824 30.150 1.00 74.22 ATOM 437 HG1 GLU 28 14.065 -17.535 29.224 1.00 38.48 ATOM 438 HG2 GLU 28 13.399 -18.889 30.136 1.00 5.12 ATOM 439 CD GLU 28 14.522 -17.506 31.306 1.00 2.23 ATOM 440 OE1 GLU 28 14.553 -18.279 32.288 1.00 21.31 ATOM 441 OE2 GLU 28 15.237 -16.482 31.238 1.00 43.31 ATOM 442 C GLU 28 11.835 -16.975 27.769 1.00 10.14 ATOM 443 O GLU 28 12.332 -17.787 26.987 1.00 72.40 ATOM 444 N SER 29 11.761 -15.674 27.501 1.00 75.01 ATOM 445 HN SER 29 11.344 -15.080 28.161 1.00 38.48 ATOM 446 CA SER 29 12.276 -15.099 26.249 1.00 74.34 ATOM 447 HA SER 29 11.915 -15.709 25.433 1.00 32.33 ATOM 448 CB SER 29 11.734 -13.672 26.079 1.00 74.41 ATOM 449 HB1 SER 29 11.980 -13.090 26.955 1.00 38.48 ATOM 450 HB2 SER 29 10.660 -13.712 25.968 1.00 43.00 ATOM 451 OG SER 29 12.282 -13.030 24.937 1.00 32.22 ATOM 452 HG SER 29 11.592 -12.923 24.267 1.00 52.12 ATOM 453 C SER 29 13.819 -15.094 26.218 1.00 15.14 ATOM 454 O SER 29 14.465 -14.938 27.257 1.00 24.43 ATOM 455 N PRO 30 14.434 -15.264 25.023 1.00 1.32 ATOM 456 CA PRO 30 15.906 -15.310 24.875 1.00 4.11 ATOM 457 HA PRO 30 16.324 -16.140 25.429 1.00 22.11 ATOM 458 CB PRO 30 16.111 -15.551 23.368 1.00 64.01 ATOM 459 HB1 PRO 30 16.292 -16.602 23.189 1.00 38.48 ATOM 460 HB2 PRO 30 16.956 -14.973 23.014 1.00 4.01 ATOM 461 CG PRO 30 14.836 -15.102 22.732 1.00 32.03 ATOM 462 HG1 PRO 30 14.673 -15.638 21.808 1.00 38.48 ATOM 463 HG2 PRO 30 14.871 -14.037 22.548 1.00 70.24 ATOM 464 CD PRO 30 13.753 -15.427 23.723 1.00 44.01 ATOM 465 HD1 PRO 30 13.410 -16.444 23.594 1.00 38.48 ATOM 466 HD2 PRO 30 12.929 -14.734 23.625 1.00 72.32 ATOM 467 C PRO 30 16.609 -14.011 25.316 1.00 12.30 ATOM 468 O PRO 30 16.018 -12.929 25.307 1.00 10.32 ATOM 469 N LYS 31 17.886 -14.127 25.679 1.00 33.44 ATOM 470 HN LYS 31 18.327 -15.000 25.585 1.00 38.48 ATOM 471 CA LYS 31 18.666 -12.990 26.193 1.00 23.23 ATOM 472 HA LYS 31 17.995 -12.349 26.746 1.00 43.50 ATOM 473 CB LYS 31 19.780 -13.484 27.140 1.00 74.43 ATOM 474 HB1 LYS 31 20.354 -12.629 27.472 1.00 38.48 ATOM 475 HB2 LYS 31 20.434 -14.146 26.589 1.00 12.41 ATOM 476 CG LYS 31 19.284 -14.236 28.382 1.00 73.15 ATOM 477 HG1 LYS 31 18.546 -13.626 28.886 1.00 38.48 ATOM 478 HG2 LYS 31 20.122 -14.404 29.043 1.00 15.33 ATOM 479 CD LYS 31 18.656 -15.587 28.033 1.00 63.14 ATOM 480 HD1 LYS 31 19.383 -16.183 27.499 1.00 38.48 ATOM 481 HD2 LYS 31 17.797 -15.418 27.399 1.00 21.14 ATOM 482 CE LYS 31 18.204 -16.350 29.272 1.00 71.40 ATOM 483 HE1 LYS 31 17.680 -17.241 28.958 1.00 38.48 ATOM 484 HE2 LYS 31 17.533 -15.723 29.843 1.00 34.12 ATOM 485 NZ LYS 31 19.348 -16.742 30.138 1.00 13.02 ATOM 486 HZ1 LYS 31 19.830 -15.896 30.507 1.00 43.53 ATOM 487 HZ2 LYS 31 20.035 -17.306 29.595 1.00 34.14 ATOM 488 HZ3 LYS 31 19.011 -17.309 30.940 1.00 40.05 ATOM 489 C LYS 31 19.287 -12.181 25.041 1.00 41.44 ATOM 490 O LYS 31 19.700 -11.032 25.218 1.00 43.31 ATOM 491 N LYS 32 19.358 -12.805 23.868 1.00 54.13 ATOM 492 HN LYS 32 19.024 -13.726 23.806 1.00 38.48 ATOM 493 CA LYS 32 19.911 -12.175 22.663 1.00 72.31 ATOM 494 HA LYS 32 19.455 -11.200 22.558 1.00 54.44 ATOM 495 CB LYS 32 21.437 -12.012 22.802 1.00 10.21 ATOM 496 HB1 LYS 32 21.641 -11.380 23.655 1.00 38.48 ATOM 497 HB2 LYS 32 21.821 -11.531 21.912 1.00 53.12 ATOM 498 CG LYS 32 22.183 -13.330 22.994 1.00 42.14 ATOM 499 HG1 LYS 32 22.038 -13.940 22.113 1.00 38.48 ATOM 500 HG2 LYS 32 21.770 -13.841 23.852 1.00 62.40 ATOM 501 CD LYS 32 23.686 -13.134 23.216 1.00 20.44 ATOM 502 HD1 LYS 32 24.071 -12.492 22.435 1.00 38.48 ATOM 503 HD2 LYS 32 24.172 -14.097 23.156 1.00 43.13 ATOM 504 CE LYS 32 24.009 -12.507 24.577 1.00 33.55 ATOM 505 HE1 LYS 32 25.068 -12.613 24.761 1.00 38.48 ATOM 506 HE2 LYS 32 23.462 -13.037 25.343 1.00 33.35 ATOM 507 NZ LYS 32 23.653 -11.062 24.650 1.00 21.41 ATOM 508 HZ1 LYS 32 23.916 -10.676 25.580 1.00 75.30 ATOM 509 HZ2 LYS 32 22.635 -10.931 24.510 1.00 72.54 ATOM 510 HZ3 LYS 32 24.162 -10.531 23.915 1.00 63.13 ATOM 511 C LYS 32 19.571 -13.014 21.419 1.00 22.51 ATOM 512 O LYS 32 18.756 -13.936 21.493 1.00 61.30 ATOM 513 N THR 33 20.191 -12.693 20.283 1.00 1.23 ATOM 514 HN THR 33 20.809 -11.931 20.271 1.00 38.48 ATOM 515 CA THR 33 19.969 -13.448 19.041 1.00 3.30 ATOM 516 HA THR 33 18.917 -13.381 18.799 1.00 32.11 ATOM 517 CB THR 33 20.774 -12.854 17.857 1.00 71.12 ATOM 518 HB THR 33 21.829 -12.912 18.091 1.00 51.14 ATOM 519 OG1 THR 33 20.415 -11.477 17.660 1.00 4.02 ATOM 520 HG1 THR 33 20.890 -11.128 16.897 1.00 73.50 ATOM 521 CG2 THR 33 20.515 -13.631 16.567 1.00 21.21 ATOM 522 HG21 THR 33 19.460 -13.604 16.337 1.00 53.20 ATOM 523 HG22 THR 33 20.830 -14.658 16.693 1.00 53.22 ATOM 524 HG23 THR 33 21.070 -13.182 15.758 1.00 44.22 ATOM 525 C THR 33 20.342 -14.930 19.213 1.00 23.42 ATOM 526 O THR 33 21.423 -15.261 19.710 1.00 25.13 ATOM 527 N ILE 34 19.434 -15.819 18.815 1.00 24.33 ATOM 528 HN ILE 34 18.584 -15.499 18.449 1.00 38.48 ATOM 529 CA ILE 34 19.662 -17.264 18.920 1.00 42.20 ATOM 530 HA ILE 34 20.275 -17.441 19.793 1.00 11.54 ATOM 531 CB ILE 34 18.327 -18.032 19.105 1.00 13.20 ATOM 532 HB ILE 34 17.719 -17.866 18.227 1.00 31.24 ATOM 533 CG1 ILE 34 17.572 -17.515 20.342 1.00 64.51 ATOM 534 HG11 ILE 34 17.386 -16.456 20.227 1.00 38.48 ATOM 535 HG12 ILE 34 18.180 -17.672 21.223 1.00 13.45 ATOM 536 CG2 ILE 34 18.583 -19.535 19.221 1.00 25.01 ATOM 537 HG21 ILE 34 19.234 -19.730 20.061 1.00 64.13 ATOM 538 HG22 ILE 34 19.050 -19.891 18.315 1.00 24.41 ATOM 539 HG23 ILE 34 17.645 -20.050 19.365 1.00 53.12 ATOM 540 CD1 ILE 34 16.237 -18.198 20.578 1.00 33.14 ATOM 541 HD11 ILE 34 15.614 -18.092 19.700 1.00 64.23 ATOM 542 HD12 ILE 34 15.745 -17.741 21.423 1.00 72.51 ATOM 543 HD13 ILE 34 16.399 -19.247 20.782 1.00 24.04 ATOM 544 C ILE 34 20.393 -17.811 17.683 1.00 5.42 ATOM 545 O ILE 34 19.918 -17.679 16.552 1.00 10.13 ATOM 546 N SER 35 21.551 -18.425 17.907 1.00 12.02 ATOM 547 HN SER 35 21.893 -18.468 18.826 1.00 38.48 ATOM 548 CA SER 35 22.337 -19.035 16.824 1.00 14.25 ATOM 549 HA SER 35 22.337 -18.348 15.989 1.00 12.15 ATOM 550 CB SER 35 23.788 -19.263 17.277 1.00 23.21 ATOM 551 HB1 SER 35 24.265 -18.308 17.447 1.00 38.48 ATOM 552 HB2 SER 35 24.326 -19.800 16.509 1.00 54.43 ATOM 553 OG SER 35 23.837 -20.018 18.481 1.00 44.23 ATOM 554 HG SER 35 24.215 -20.890 18.299 1.00 20.13 ATOM 555 C SER 35 21.716 -20.364 16.370 1.00 1.32 ATOM 556 O SER 35 21.331 -20.519 15.209 1.00 34.32 ATOM 557 N ASP 36 21.622 -21.321 17.291 1.00 4.42 ATOM 558 HN ASP 36 21.996 -21.157 18.184 1.00 38.48 ATOM 559 CA ASP 36 20.994 -22.620 17.011 1.00 4.14 ATOM 560 HA ASP 36 20.713 -22.629 15.967 1.00 10.32 ATOM 561 CB ASP 36 22.003 -23.759 17.253 1.00 11.43 ATOM 562 HB1 ASP 36 22.781 -23.706 16.503 1.00 38.48 ATOM 563 HB2 ASP 36 21.493 -24.708 17.160 1.00 40.02 ATOM 564 CG ASP 36 22.657 -23.694 18.627 1.00 43.02 ATOM 565 OD1 ASP 36 22.408 -24.586 19.462 1.00 43.15 ATOM 566 OD2 ASP 36 23.419 -22.737 18.879 1.00 24.10 ATOM 567 C ASP 36 19.717 -22.821 17.859 1.00 15.20 ATOM 568 O ASP 36 19.789 -23.145 19.047 1.00 1.22 ATOM 569 N PRO 37 18.522 -22.603 17.263 1.00 20.43 ATOM 570 CA PRO 37 17.236 -22.791 17.965 1.00 63.31 ATOM 571 HA PRO 37 17.170 -22.153 18.836 1.00 2.41 ATOM 572 CB PRO 37 16.190 -22.349 16.924 1.00 13.14 ATOM 573 HB1 PRO 37 15.893 -21.328 17.120 1.00 38.48 ATOM 574 HB2 PRO 37 15.322 -22.994 16.974 1.00 24.45 ATOM 575 CG PRO 37 16.885 -22.467 15.608 1.00 33.01 ATOM 576 HG1 PRO 37 16.464 -21.762 14.904 1.00 38.48 ATOM 577 HG2 PRO 37 16.791 -23.476 15.230 1.00 52.20 ATOM 578 CD PRO 37 18.327 -22.140 15.876 1.00 12.21 ATOM 579 HD1 PRO 37 18.497 -21.075 15.797 1.00 38.48 ATOM 580 HD2 PRO 37 18.973 -22.677 15.194 1.00 35.04 ATOM 581 C PRO 37 17.002 -24.251 18.395 1.00 1.31 ATOM 582 O PRO 37 16.451 -24.510 19.465 1.00 74.32 ATOM 583 N GLU 38 17.425 -25.196 17.556 1.00 40.24 ATOM 584 HN GLU 38 17.829 -24.928 16.702 1.00 38.48 ATOM 585 CA GLU 38 17.303 -26.626 17.869 1.00 71.00 ATOM 586 HA GLU 38 16.259 -26.830 18.061 1.00 22.34 ATOM 587 CB GLU 38 17.756 -27.465 16.665 1.00 53.51 ATOM 588 HB1 GLU 38 17.804 -28.504 16.959 1.00 38.48 ATOM 589 HB2 GLU 38 18.743 -27.139 16.366 1.00 62.13 ATOM 590 CG GLU 38 16.827 -27.352 15.459 1.00 12.44 ATOM 591 HG1 GLU 38 16.683 -26.304 15.231 1.00 38.48 ATOM 592 HG2 GLU 38 15.874 -27.796 15.712 1.00 12.22 ATOM 593 CD GLU 38 17.370 -28.051 14.224 1.00 12.14 ATOM 594 OE1 GLU 38 17.433 -29.300 14.219 1.00 4.42 ATOM 595 OE2 GLU 38 17.733 -27.351 13.250 1.00 71.01 ATOM 596 C GLU 38 18.114 -26.999 19.123 1.00 60.31 ATOM 597 O GLU 38 17.595 -27.633 20.045 1.00 42.42 ATOM 598 N GLY 39 19.384 -26.594 19.157 1.00 31.11 ATOM 599 HN GLY 39 19.762 -26.135 18.378 1.00 38.48 ATOM 600 CA GLY 39 20.217 -26.828 20.334 1.00 71.20 ATOM 601 HA1 GLY 39 21.219 -26.480 20.127 1.00 38.48 ATOM 602 HA2 GLY 39 20.253 -27.890 20.532 1.00 41.52 ATOM 603 C GLY 39 19.691 -26.107 21.575 1.00 55.13 ATOM 604 O GLY 39 19.693 -26.664 22.678 1.00 53.54 ATOM 605 N PHE 40 19.233 -24.866 21.387 1.00 54.22 ATOM 606 HN PHE 40 19.320 -24.461 20.497 1.00 38.48 ATOM 607 CA PHE 40 18.620 -24.082 22.467 1.00 61.14 ATOM 608 HA PHE 40 19.377 -23.904 23.219 1.00 52.52 ATOM 609 CB PHE 40 18.134 -22.727 21.918 1.00 33.03 ATOM 610 HB1 PHE 40 17.419 -22.906 21.125 1.00 38.48 ATOM 611 HB2 PHE 40 18.980 -22.192 21.509 1.00 50.21 ATOM 612 CG PHE 40 17.478 -21.834 22.948 1.00 31.21 ATOM 613 CD1 PHE 40 18.247 -21.072 23.819 1.00 41.20 ATOM 614 HD1 PHE 40 19.326 -21.123 23.759 1.00 61.13 ATOM 615 CD2 PHE 40 16.094 -21.752 23.041 1.00 43.24 ATOM 616 HD2 PHE 40 15.482 -22.340 22.371 1.00 11.42 ATOM 617 CE1 PHE 40 17.650 -20.250 24.758 1.00 12.01 ATOM 618 HE1 PHE 40 18.262 -19.662 25.428 1.00 41.24 ATOM 619 CE2 PHE 40 15.493 -20.932 23.979 1.00 73.43 ATOM 620 HE2 PHE 40 14.416 -20.880 24.041 1.00 71.34 ATOM 621 CZ PHE 40 16.272 -20.180 24.838 1.00 0.31 ATOM 622 HZ PHE 40 15.805 -19.539 25.570 1.00 53.24 ATOM 623 C PHE 40 17.452 -24.848 23.116 1.00 1.13 ATOM 624 O PHE 40 17.383 -24.980 24.340 1.00 41.53 ATOM 625 N LEU 41 16.543 -25.361 22.285 1.00 62.45 ATOM 626 HN LEU 41 16.640 -25.208 21.319 1.00 38.48 ATOM 627 CA LEU 41 15.404 -26.148 22.775 1.00 11.11 ATOM 628 HA LEU 41 14.892 -25.549 23.518 1.00 73.12 ATOM 629 CB LEU 41 14.427 -26.454 21.632 1.00 44.15 ATOM 630 HB1 LEU 41 13.668 -27.127 22.005 1.00 38.48 ATOM 631 HB2 LEU 41 14.975 -26.960 20.847 1.00 64.23 ATOM 632 CG LEU 41 13.723 -25.233 21.017 1.00 44.11 ATOM 633 HG LEU 41 14.470 -24.574 20.593 1.00 41.43 ATOM 634 CD1 LEU 41 12.788 -25.664 19.889 1.00 41.23 ATOM 635 HD11 LEU 41 12.295 -24.795 19.475 1.00 1.11 ATOM 636 HD12 LEU 41 12.044 -26.347 20.274 1.00 45.50 ATOM 637 HD13 LEU 41 13.358 -26.155 19.113 1.00 21.25 ATOM 638 CD2 LEU 41 12.959 -24.451 22.088 1.00 61.45 ATOM 639 HD21 LEU 41 12.439 -23.622 21.628 1.00 61.13 ATOM 640 HD22 LEU 41 13.654 -24.072 22.824 1.00 63.15 ATOM 641 HD23 LEU 41 12.244 -25.102 22.570 1.00 1.12 ATOM 642 C LEU 41 15.865 -27.457 23.435 1.00 64.44 ATOM 643 O LEU 41 15.306 -27.878 24.444 1.00 73.52 ATOM 644 N GLN 42 16.888 -28.090 22.860 1.00 12.42 ATOM 645 HN GLN 42 17.270 -27.721 22.036 1.00 38.48 ATOM 646 CA GLN 42 17.451 -29.331 23.414 1.00 14.35 ATOM 647 HA GLN 42 16.664 -30.072 23.420 1.00 51.43 ATOM 648 CB GLN 42 18.599 -29.828 22.511 1.00 51.24 ATOM 649 HB1 GLN 42 19.407 -29.112 22.558 1.00 38.48 ATOM 650 HB2 GLN 42 18.237 -29.867 21.491 1.00 53.12 ATOM 651 CG GLN 42 19.163 -31.213 22.862 1.00 25.34 ATOM 652 HG1 GLN 42 19.582 -31.649 21.964 1.00 38.48 ATOM 653 HG2 GLN 42 18.352 -31.835 23.211 1.00 55.42 ATOM 654 CD GLN 42 20.247 -31.187 23.935 1.00 5.24 ATOM 655 OE1 GLN 42 21.424 -31.012 23.634 1.00 43.31 ATOM 656 NE2 GLN 42 19.872 -31.388 25.182 1.00 4.13 ATOM 657 HE21 GLN 42 18.921 -31.544 25.365 1.00 22.40 ATOM 658 HE22 GLN 42 20.562 -31.365 25.876 1.00 61.33 ATOM 659 C GLN 42 17.935 -29.117 24.859 1.00 53.31 ATOM 660 O GLN 42 17.647 -29.919 25.747 1.00 30.14 ATOM 661 N ALA 43 18.664 -28.024 25.085 1.00 64.44 ATOM 662 HN ALA 43 18.883 -27.434 24.332 1.00 38.48 ATOM 663 CA ALA 43 19.160 -27.684 26.424 1.00 73.25 ATOM 664 HA ALA 43 19.607 -28.574 26.849 1.00 73.25 ATOM 665 CB ALA 43 20.244 -26.615 26.322 1.00 74.02 ATOM 666 HB1 ALA 43 19.832 -25.724 25.873 1.00 74.11 ATOM 667 HB2 ALA 43 21.057 -26.983 25.711 1.00 45.32 ATOM 668 HB3 ALA 43 20.616 -26.382 27.310 1.00 33.24 ATOM 669 C ALA 43 18.026 -27.208 27.352 1.00 0.21 ATOM 670 O ALA 43 18.056 -27.442 28.562 1.00 71.23 ATOM 671 N SER 44 17.029 -26.540 26.775 1.00 64.14 ATOM 672 HN SER 44 17.062 -26.387 25.806 1.00 38.48 ATOM 673 CA SER 44 15.883 -26.015 27.541 1.00 44.25 ATOM 674 HA SER 44 16.273 -25.493 28.403 1.00 23.41 ATOM 675 CB SER 44 15.083 -25.023 26.682 1.00 52.21 ATOM 676 HB1 SER 44 14.785 -25.505 25.761 1.00 38.48 ATOM 677 HB2 SER 44 15.701 -24.167 26.455 1.00 51.22 ATOM 678 OG SER 44 13.919 -24.572 27.358 1.00 3.13 ATOM 679 HG SER 44 13.402 -24.015 26.770 1.00 40.50 ATOM 680 C SER 44 14.952 -27.138 28.027 1.00 32.11 ATOM 681 O SER 44 14.502 -27.141 29.174 1.00 45.21 ATOM 682 N LEU 45 14.674 -28.097 27.150 1.00 32.41 ATOM 683 HN LEU 45 15.095 -28.066 26.266 1.00 38.48 ATOM 684 CA LEU 45 13.756 -29.200 27.463 1.00 30.15 ATOM 685 HA LEU 45 13.033 -28.841 28.184 1.00 30.13 ATOM 686 CB LEU 45 13.017 -29.630 26.188 1.00 15.23 ATOM 687 HB1 LEU 45 12.296 -30.390 26.454 1.00 38.48 ATOM 688 HB2 LEU 45 13.738 -30.066 25.510 1.00 24.04 ATOM 689 CG LEU 45 12.275 -28.502 25.449 1.00 4.23 ATOM 690 HG LEU 45 12.989 -27.738 25.171 1.00 42.11 ATOM 691 CD1 LEU 45 11.636 -29.024 24.165 1.00 62.34 ATOM 692 HD11 LEU 45 10.933 -29.811 24.401 1.00 31.42 ATOM 693 HD12 LEU 45 12.405 -29.414 23.514 1.00 74.34 ATOM 694 HD13 LEU 45 11.119 -28.217 23.664 1.00 74.24 ATOM 695 CD2 LEU 45 11.227 -27.858 26.355 1.00 54.43 ATOM 696 HD21 LEU 45 10.504 -28.603 26.661 1.00 13.21 ATOM 697 HD22 LEU 45 10.723 -27.068 25.818 1.00 30.50 ATOM 698 HD23 LEU 45 11.710 -27.445 27.230 1.00 44.35 ATOM 699 C LEU 45 14.500 -30.404 28.067 1.00 5.33 ATOM 700 O LEU 45 13.887 -31.427 28.375 1.00 55.50 ATOM 701 N LYS 46 15.813 -30.254 28.247 1.00 23.43 ATOM 702 HN LYS 46 16.212 -29.382 28.053 1.00 38.48 ATOM 703 CA LYS 46 16.694 -31.338 28.719 1.00 60.32 ATOM 704 HA LYS 46 16.825 -32.033 27.902 1.00 61.33 ATOM 705 CB LYS 46 18.065 -30.752 29.089 1.00 13.25 ATOM 706 HB1 LYS 46 17.932 -30.038 29.891 1.00 38.48 ATOM 707 HB2 LYS 46 18.466 -30.237 28.227 1.00 61.10 ATOM 708 CG LYS 46 19.089 -31.792 29.541 1.00 75.14 ATOM 709 HG1 LYS 46 19.361 -32.405 28.693 1.00 38.48 ATOM 710 HG2 LYS 46 18.643 -32.412 30.307 1.00 42.22 ATOM 711 CD LYS 46 20.348 -31.136 30.107 1.00 21.33 ATOM 712 HD1 LYS 46 20.071 -30.519 30.951 1.00 38.48 ATOM 713 HD2 LYS 46 20.794 -30.517 29.341 1.00 15.34 ATOM 714 CE LYS 46 21.377 -32.167 30.564 1.00 25.24 ATOM 715 HE1 LYS 46 20.896 -32.869 31.231 1.00 38.48 ATOM 716 HE2 LYS 46 22.169 -31.657 31.093 1.00 74.22 ATOM 717 NZ LYS 46 21.968 -32.912 29.420 1.00 12.22 ATOM 718 HZ1 LYS 46 22.531 -32.268 28.824 1.00 14.52 ATOM 719 HZ2 LYS 46 21.219 -33.332 28.835 1.00 51.21 ATOM 720 HZ3 LYS 46 22.586 -33.670 29.767 1.00 61.13 ATOM 721 C LYS 46 16.116 -32.100 29.927 1.00 24.23 ATOM 722 O LYS 46 15.929 -33.316 29.876 1.00 34.10 ATOM 723 N ASP 47 15.838 -31.379 31.012 1.00 14.42 ATOM 724 HN ASP 47 15.962 -30.406 30.982 1.00 38.48 ATOM 725 CA ASP 47 15.373 -32.002 32.257 1.00 23.10 ATOM 726 HA ASP 47 15.893 -32.944 32.367 1.00 64.31 ATOM 727 CB ASP 47 15.732 -31.104 33.443 1.00 45.03 ATOM 728 HB1 ASP 47 15.549 -31.640 34.364 1.00 38.48 ATOM 729 HB2 ASP 47 15.113 -30.217 33.420 1.00 12.14 ATOM 730 CG ASP 47 17.190 -30.679 33.410 1.00 71.42 ATOM 731 OD1 ASP 47 18.039 -31.394 33.982 1.00 73.44 ATOM 732 OD2 ASP 47 17.489 -29.632 32.794 1.00 22.50 ATOM 733 C ASP 47 13.857 -32.283 32.241 1.00 12.35 ATOM 734 O ASP 47 13.302 -32.781 33.222 1.00 32.05 ATOM 735 N GLY 48 13.192 -31.948 31.134 1.00 54.21 ATOM 736 HN GLY 48 13.677 -31.509 30.403 1.00 38.48 ATOM 737 CA GLY 48 11.767 -32.241 30.982 1.00 72.51 ATOM 738 HA1 GLY 48 11.587 -33.260 31.304 1.00 38.48 ATOM 739 HA2 GLY 48 11.514 -32.169 29.934 1.00 34.13 ATOM 740 C GLY 48 10.840 -31.310 31.767 1.00 24.03 ATOM 741 O GLY 48 9.615 -31.424 31.671 1.00 35.22 ATOM 742 N VAL 49 11.412 -30.377 32.529 1.00 0.14 ATOM 743 HN VAL 49 12.389 -30.297 32.528 1.00 38.48 ATOM 744 CA VAL 49 10.619 -29.463 33.367 1.00 12.20 ATOM 745 HA VAL 49 9.991 -30.068 34.009 1.00 55.10 ATOM 746 CB VAL 49 11.528 -28.590 34.273 1.00 34.22 ATOM 747 HB VAL 49 12.127 -27.952 33.636 1.00 23.22 ATOM 748 CG1 VAL 49 10.687 -27.693 35.186 1.00 44.13 ATOM 749 HG11 VAL 49 10.039 -28.306 35.798 1.00 0.22 ATOM 750 HG12 VAL 49 10.086 -27.025 34.585 1.00 55.35 ATOM 751 HG13 VAL 49 11.339 -27.112 35.824 1.00 33.41 ATOM 752 CG2 VAL 49 12.478 -29.470 35.089 1.00 31.02 ATOM 753 HG21 VAL 49 13.084 -30.063 34.419 1.00 73.41 ATOM 754 HG22 VAL 49 11.904 -30.125 35.729 1.00 60.33 ATOM 755 HG23 VAL 49 13.120 -28.846 35.696 1.00 44.01 ATOM 756 C VAL 49 9.720 -28.550 32.516 1.00 71.10 ATOM 757 O VAL 49 8.518 -28.421 32.772 1.00 45.24 ATOM 758 N VAL 50 10.305 -27.922 31.498 1.00 44.13 ATOM 759 HN VAL 50 11.270 -28.044 31.355 1.00 38.48 ATOM 760 CA VAL 50 9.548 -27.050 30.590 1.00 41.10 ATOM 761 HA VAL 50 9.070 -26.287 31.191 1.00 71.13 ATOM 762 CB VAL 50 10.482 -26.348 29.570 1.00 11.11 ATOM 763 HB VAL 50 10.938 -27.108 28.949 1.00 64.05 ATOM 764 CG1 VAL 50 9.691 -25.405 28.660 1.00 35.22 ATOM 765 HG11 VAL 50 10.367 -24.907 27.979 1.00 22.12 ATOM 766 HG12 VAL 50 9.177 -24.668 29.260 1.00 53.10 ATOM 767 HG13 VAL 50 8.967 -25.974 28.093 1.00 44.23 ATOM 768 CG2 VAL 50 11.598 -25.593 30.292 1.00 2.42 ATOM 769 HG21 VAL 50 12.168 -26.282 30.899 1.00 60.11 ATOM 770 HG22 VAL 50 11.168 -24.830 30.923 1.00 22.33 ATOM 771 HG23 VAL 50 12.252 -25.131 29.565 1.00 61.41 ATOM 772 C VAL 50 8.459 -27.839 29.841 1.00 61.20 ATOM 773 O VAL 50 7.368 -27.325 29.583 1.00 14.23 ATOM 774 N LEU 51 8.761 -29.098 29.511 1.00 60.51 ATOM 775 HN LEU 51 9.660 -29.433 29.702 1.00 38.48 ATOM 776 CA LEU 51 7.786 -29.994 28.873 1.00 74.02 ATOM 777 HA LEU 51 7.470 -29.533 27.947 1.00 33.53 ATOM 778 CB LEU 51 8.431 -31.351 28.557 1.00 15.14 ATOM 779 HB1 LEU 51 7.652 -32.032 28.241 1.00 38.48 ATOM 780 HB2 LEU 51 8.868 -31.735 29.469 1.00 61.30 ATOM 781 CG LEU 51 9.519 -31.333 27.474 1.00 71.45 ATOM 782 HG LEU 51 10.313 -30.668 27.785 1.00 50.53 ATOM 783 CD1 LEU 51 10.118 -32.724 27.295 1.00 4.15 ATOM 784 HD11 LEU 51 9.340 -33.424 27.024 1.00 50.43 ATOM 785 HD12 LEU 51 10.581 -33.039 28.219 1.00 65.12 ATOM 786 HD13 LEU 51 10.865 -32.697 26.513 1.00 52.21 ATOM 787 CD2 LEU 51 8.959 -30.811 26.149 1.00 43.10 ATOM 788 HD21 LEU 51 8.591 -29.803 26.284 1.00 32.41 ATOM 789 HD22 LEU 51 8.149 -31.447 25.820 1.00 33.12 ATOM 790 HD23 LEU 51 9.741 -30.810 25.403 1.00 5.11 ATOM 791 C LEU 51 6.555 -30.207 29.764 1.00 61.30 ATOM 792 O LEU 51 5.421 -30.186 29.287 1.00 53.33 ATOM 793 N CYS 52 6.786 -30.414 31.059 1.00 43.01 ATOM 794 HN CYS 52 7.713 -30.468 31.376 1.00 38.48 ATOM 795 CA CYS 52 5.689 -30.575 32.023 1.00 34.23 ATOM 796 HA CYS 52 5.117 -31.442 31.724 1.00 23.55 ATOM 797 CB CYS 52 6.244 -30.813 33.430 1.00 3.41 ATOM 798 HB1 CYS 52 5.421 -30.881 34.128 1.00 38.48 ATOM 799 HB2 CYS 52 6.876 -29.981 33.706 1.00 14.24 ATOM 800 SG CYS 52 7.226 -32.326 33.583 1.00 22.22 ATOM 801 HG CYS 52 8.192 -32.283 32.677 1.00 62.21 ATOM 802 C CYS 52 4.765 -29.351 32.017 1.00 0.02 ATOM 803 O CYS 52 3.548 -29.481 31.883 1.00 21.42 ATOM 804 N ARG 53 5.356 -28.160 32.147 1.00 32.42 ATOM 805 HN ARG 53 6.320 -28.124 32.326 1.00 38.48 ATOM 806 CA ARG 53 4.603 -26.903 32.034 1.00 13.11 ATOM 807 HA ARG 53 3.924 -26.841 32.874 1.00 64.32 ATOM 808 CB ARG 53 5.559 -25.703 32.066 1.00 62.21 ATOM 809 HB1 ARG 53 4.990 -24.805 31.867 1.00 38.48 ATOM 810 HB2 ARG 53 6.290 -25.829 31.280 1.00 2.02 ATOM 811 CG ARG 53 6.310 -25.507 33.380 1.00 4.32 ATOM 812 HG1 ARG 53 6.870 -26.404 33.604 1.00 38.48 ATOM 813 HG2 ARG 53 5.598 -25.316 34.171 1.00 61.21 ATOM 814 CD ARG 53 7.275 -24.327 33.284 1.00 11.12 ATOM 815 HD1 ARG 53 6.721 -23.452 32.973 1.00 38.48 ATOM 816 HD2 ARG 53 8.025 -24.555 32.539 1.00 70.50 ATOM 817 NE ARG 53 7.942 -24.037 34.550 1.00 30.50 ATOM 818 HE ARG 53 7.467 -24.267 35.375 1.00 70.12 ATOM 819 CZ ARG 53 9.114 -23.470 34.648 1.00 2.23 ATOM 820 NH1 ARG 53 9.791 -23.172 33.582 1.00 35.53 ATOM 821 HH11 ARG 53 9.416 -23.369 32.681 1.00 73.14 ATOM 822 HH12 ARG 53 10.695 -22.755 33.669 1.00 63.00 ATOM 823 NH2 ARG 53 9.607 -23.199 35.812 1.00 25.24 ATOM 824 HH21 ARG 53 9.086 -23.418 36.636 1.00 75.12 ATOM 825 HH22 ARG 53 10.508 -22.768 35.890 1.00 72.30 ATOM 826 C ARG 53 3.792 -26.862 30.726 1.00 62.23 ATOM 827 O ARG 53 2.612 -26.502 30.718 1.00 42.22 ATOM 828 N LEU 54 4.449 -27.228 29.622 1.00 74.22 ATOM 829 HN LEU 54 5.395 -27.479 29.699 1.00 38.48 ATOM 830 CA LEU 54 3.816 -27.266 28.298 1.00 63.15 ATOM 831 HA LEU 54 3.528 -26.258 28.039 1.00 13.54 ATOM 832 CB LEU 54 4.826 -27.777 27.258 1.00 33.11 ATOM 833 HB1 LEU 54 5.153 -28.763 27.561 1.00 38.48 ATOM 834 HB2 LEU 54 5.683 -27.117 27.271 1.00 23.31 ATOM 835 CG LEU 54 4.314 -27.865 25.811 1.00 41.11 ATOM 836 HG LEU 54 3.444 -28.508 25.783 1.00 70.11 ATOM 837 CD1 LEU 54 3.891 -26.490 25.305 1.00 20.24 ATOM 838 HD11 LEU 54 4.737 -25.817 25.333 1.00 2.42 ATOM 839 HD12 LEU 54 3.103 -26.101 25.934 1.00 0.41 ATOM 840 HD13 LEU 54 3.530 -26.572 24.290 1.00 23.14 ATOM 841 CD2 LEU 54 5.381 -28.476 24.902 1.00 43.11 ATOM 842 HD21 LEU 54 6.268 -27.859 24.919 1.00 3.44 ATOM 843 HD22 LEU 54 5.004 -28.536 23.891 1.00 5.44 ATOM 844 HD23 LEU 54 5.626 -29.468 25.251 1.00 25.33 ATOM 845 C LEU 54 2.561 -28.151 28.304 1.00 73.23 ATOM 846 O LEU 54 1.491 -27.742 27.841 1.00 13.23 ATOM 847 N LEU 55 2.694 -29.357 28.848 1.00 31.40 ATOM 848 HN LEU 55 3.569 -29.626 29.202 1.00 38.48 ATOM 849 CA LEU 55 1.575 -30.295 28.929 1.00 13.24 ATOM 850 HA LEU 55 1.161 -30.397 27.934 1.00 12.00 ATOM 851 CB LEU 55 2.066 -31.672 29.400 1.00 21.21 ATOM 852 HB1 LEU 55 2.425 -31.572 30.416 1.00 38.48 ATOM 853 HB2 LEU 55 2.897 -31.967 28.773 1.00 50.03 ATOM 854 CG LEU 55 1.011 -32.793 29.370 1.00 60.14 ATOM 855 HG LEU 55 0.189 -32.518 30.017 1.00 45.52 ATOM 856 CD1 LEU 55 0.450 -32.976 27.960 1.00 44.51 ATOM 857 HD11 LEU 55 -0.278 -33.775 27.963 1.00 20.43 ATOM 858 HD12 LEU 55 1.252 -33.223 27.278 1.00 20.32 ATOM 859 HD13 LEU 55 -0.026 -32.061 27.637 1.00 24.01 ATOM 860 CD2 LEU 55 1.599 -34.103 29.888 1.00 24.23 ATOM 861 HD21 LEU 55 0.834 -34.865 29.886 1.00 42.43 ATOM 862 HD22 LEU 55 1.960 -33.963 30.895 1.00 4.21 ATOM 863 HD23 LEU 55 2.417 -34.412 29.251 1.00 55.44 ATOM 864 C LEU 55 0.470 -29.769 29.863 1.00 55.32 ATOM 865 O LEU 55 -0.712 -29.972 29.603 1.00 55.20 ATOM 866 N GLU 56 0.859 -29.089 30.944 1.00 41.45 ATOM 867 HN GLU 56 1.819 -28.992 31.125 1.00 38.48 ATOM 868 CA GLU 56 -0.114 -28.494 31.876 1.00 0.22 ATOM 869 HA GLU 56 -0.820 -29.268 32.146 1.00 12.41 ATOM 870 CB GLU 56 0.585 -28.003 33.153 1.00 65.40 ATOM 871 HB1 GLU 56 -0.140 -27.495 33.774 1.00 38.48 ATOM 872 HB2 GLU 56 1.360 -27.301 32.876 1.00 34.11 ATOM 873 CG GLU 56 1.220 -29.118 33.975 1.00 24.02 ATOM 874 HG1 GLU 56 1.997 -29.584 33.385 1.00 38.48 ATOM 875 HG2 GLU 56 0.461 -29.855 34.208 1.00 42.25 ATOM 876 CD GLU 56 1.828 -28.620 35.279 1.00 21.44 ATOM 877 OE1 GLU 56 1.152 -28.708 36.329 1.00 63.40 ATOM 878 OE2 GLU 56 2.974 -28.120 35.260 1.00 4.01 ATOM 879 C GLU 56 -0.890 -27.333 31.231 1.00 74.43 ATOM 880 O GLU 56 -2.023 -27.042 31.618 1.00 12.13 ATOM 881 N ARG 57 -0.268 -26.657 30.269 1.00 44.14 ATOM 882 HN ARG 57 0.670 -26.872 30.068 1.00 38.48 ATOM 883 CA ARG 57 -0.942 -25.595 29.507 1.00 64.02 ATOM 884 HA ARG 57 -1.443 -24.950 30.216 1.00 43.20 ATOM 885 CB ARG 57 0.085 -24.763 28.712 1.00 42.23 ATOM 886 HB1 ARG 57 -0.325 -24.538 27.736 1.00 38.48 ATOM 887 HB2 ARG 57 0.983 -25.351 28.582 1.00 54.14 ATOM 888 CG ARG 57 0.478 -23.444 29.374 1.00 25.12 ATOM 889 HG1 ARG 57 -0.410 -22.835 29.482 1.00 38.48 ATOM 890 HG2 ARG 57 1.183 -22.933 28.735 1.00 5.43 ATOM 891 CD ARG 57 1.114 -23.635 30.749 1.00 52.11 ATOM 892 HD1 ARG 57 1.988 -24.266 30.647 1.00 38.48 ATOM 893 HD2 ARG 57 0.400 -24.115 31.403 1.00 2.21 ATOM 894 NE ARG 57 1.515 -22.357 31.339 1.00 44.24 ATOM 895 HE ARG 57 1.412 -21.552 30.788 1.00 41.32 ATOM 896 CZ ARG 57 1.994 -22.218 32.545 1.00 23.52 ATOM 897 NH1 ARG 57 2.147 -23.242 33.320 1.00 62.51 ATOM 898 HH11 ARG 57 1.898 -24.153 33.005 1.00 45.21 ATOM 899 HH12 ARG 57 2.511 -23.116 34.241 1.00 45.10 ATOM 900 NH2 ARG 57 2.320 -21.044 32.977 1.00 31.13 ATOM 901 HH21 ARG 57 2.202 -20.244 32.387 1.00 74.13 ATOM 902 HH22 ARG 57 2.683 -20.938 33.899 1.00 14.33 ATOM 903 C ARG 57 -1.991 -26.180 28.546 1.00 74.44 ATOM 904 O ARG 57 -3.135 -25.720 28.495 1.00 22.41 ATOM 905 N LEU 58 -1.584 -27.190 27.783 1.00 73.21 ATOM 906 HN LEU 58 -0.669 -27.529 27.896 1.00 38.48 ATOM 907 CA LEU 58 -2.456 -27.812 26.780 1.00 0.05 ATOM 908 HA LEU 58 -2.997 -27.023 26.277 1.00 2.14 ATOM 909 CB LEU 58 -1.599 -28.556 25.748 1.00 52.14 ATOM 910 HB1 LEU 58 -2.250 -28.925 24.966 1.00 38.48 ATOM 911 HB2 LEU 58 -1.135 -29.402 26.236 1.00 44.33 ATOM 912 CG LEU 58 -0.494 -27.708 25.093 1.00 25.33 ATOM 913 HG LEU 58 0.167 -27.338 25.865 1.00 13.43 ATOM 914 CD1 LEU 58 0.341 -28.553 24.140 1.00 4.52 ATOM 915 HD11 LEU 58 1.131 -27.949 23.719 1.00 24.43 ATOM 916 HD12 LEU 58 -0.284 -28.932 23.346 1.00 3.33 ATOM 917 HD13 LEU 58 0.776 -29.383 24.681 1.00 31.00 ATOM 918 CD2 LEU 58 -1.088 -26.499 24.370 1.00 64.00 ATOM 919 HD21 LEU 58 -1.644 -25.897 25.074 1.00 51.41 ATOM 920 HD22 LEU 58 -1.749 -26.835 23.584 1.00 1.52 ATOM 921 HD23 LEU 58 -0.292 -25.907 23.942 1.00 42.30 ATOM 922 C LEU 58 -3.471 -28.770 27.427 1.00 54.44 ATOM 923 O LEU 58 -4.680 -28.638 27.228 1.00 2.22 ATOM 924 N LEU 59 -2.968 -29.733 28.195 1.00 61.50 ATOM 925 HN LEU 59 -1.997 -29.805 28.286 1.00 38.48 ATOM 926 CA LEU 59 -3.817 -30.689 28.915 1.00 53.34 ATOM 927 HA LEU 59 -4.848 -30.487 28.656 1.00 62.23 ATOM 928 CB LEU 59 -3.464 -32.124 28.490 1.00 54.44 ATOM 929 HB1 LEU 59 -4.120 -32.804 29.014 1.00 38.48 ATOM 930 HB2 LEU 59 -2.447 -32.324 28.800 1.00 4.35 ATOM 931 CG LEU 59 -3.570 -32.415 26.980 1.00 42.32 ATOM 932 HG LEU 59 -2.901 -31.752 26.451 1.00 43.42 ATOM 933 CD1 LEU 59 -3.139 -33.851 26.668 1.00 24.53 ATOM 934 HD11 LEU 59 -3.781 -34.546 27.189 1.00 22.45 ATOM 935 HD12 LEU 59 -2.117 -33.998 26.989 1.00 21.20 ATOM 936 HD13 LEU 59 -3.206 -34.027 25.603 1.00 11.41 ATOM 937 CD2 LEU 59 -4.989 -32.150 26.473 1.00 22.40 ATOM 938 HD21 LEU 59 -5.688 -32.780 27.004 1.00 32.14 ATOM 939 HD22 LEU 59 -5.042 -32.364 25.415 1.00 35.42 ATOM 940 HD23 LEU 59 -5.242 -31.112 26.640 1.00 41.14 ATOM 941 C LEU 59 -3.644 -30.523 30.440 1.00 64.51 ATOM 942 O LEU 59 -2.802 -31.184 31.060 1.00 60.34 ATOM 943 N PRO 60 -4.435 -29.630 31.065 1.00 13.43 ATOM 944 CA PRO 60 -4.263 -29.267 32.487 1.00 25.24 ATOM 945 HA PRO 60 -3.276 -28.861 32.660 1.00 15.52 ATOM 946 CB PRO 60 -5.305 -28.158 32.700 1.00 10.30 ATOM 947 HB1 PRO 60 -4.829 -27.192 32.606 1.00 38.48 ATOM 948 HB2 PRO 60 -5.744 -28.250 33.685 1.00 62.24 ATOM 949 CG PRO 60 -6.320 -28.369 31.624 1.00 30.04 ATOM 950 HG1 PRO 60 -6.793 -27.430 31.373 1.00 38.48 ATOM 951 HG2 PRO 60 -7.062 -29.086 31.950 1.00 65.40 ATOM 952 CD PRO 60 -5.561 -28.906 30.440 1.00 40.42 ATOM 953 HD1 PRO 60 -5.202 -28.098 29.818 1.00 38.48 ATOM 954 HD2 PRO 60 -6.182 -29.579 29.864 1.00 50.32 ATOM 955 C PRO 60 -4.500 -30.432 33.471 1.00 52.41 ATOM 956 O PRO 60 -5.440 -31.218 33.321 1.00 72.33 ATOM 957 N GLY 61 -3.634 -30.528 34.484 1.00 23.02 ATOM 958 HN GLY 61 -2.892 -29.886 34.536 1.00 38.48 ATOM 959 CA GLY 61 -3.779 -31.549 35.523 1.00 50.31 ATOM 960 HA1 GLY 61 -4.832 -31.702 35.716 1.00 38.48 ATOM 961 HA2 GLY 61 -3.317 -31.184 36.427 1.00 63.53 ATOM 962 C GLY 61 -3.145 -32.894 35.166 1.00 60.41 ATOM 963 O GLY 61 -3.028 -33.773 36.020 1.00 31.25 ATOM 964 N THR 62 -2.728 -33.055 33.909 1.00 74.03 ATOM 965 HN THR 62 -2.805 -32.302 33.284 1.00 38.48 ATOM 966 CA THR 62 -2.175 -34.335 33.426 1.00 3.00 ATOM 967 HA THR 62 -2.894 -35.111 33.660 1.00 74.42 ATOM 968 CB THR 62 -1.976 -34.317 31.888 1.00 34.43 ATOM 969 HB THR 62 -1.199 -33.606 31.645 1.00 72.43 ATOM 970 OG1 THR 62 -3.197 -33.910 31.247 1.00 70.22 ATOM 971 HG1 THR 62 -3.056 -33.068 30.795 1.00 70.04 ATOM 972 CG2 THR 62 -1.568 -35.691 31.360 1.00 62.10 ATOM 973 HG21 THR 62 -1.485 -35.654 30.282 1.00 52.44 ATOM 974 HG22 THR 62 -2.316 -36.420 31.636 1.00 40.42 ATOM 975 HG23 THR 62 -0.615 -35.974 31.783 1.00 5.34 ATOM 976 C THR 62 -0.840 -34.681 34.108 1.00 51.24 ATOM 977 O THR 62 -0.508 -35.855 34.290 1.00 40.00 ATOM 978 N ILE 63 -0.073 -33.656 34.474 1.00 3.50 ATOM 979 HN ILE 63 -0.354 -32.746 34.249 1.00 38.48 ATOM 980 CA ILE 63 1.178 -33.854 35.215 1.00 61.45 ATOM 981 HA ILE 63 1.697 -34.697 34.777 1.00 63.23 ATOM 982 CB ILE 63 2.099 -32.609 35.117 1.00 31.51 ATOM 983 HB ILE 63 1.562 -31.764 35.531 1.00 44.10 ATOM 984 CG1 ILE 63 2.447 -32.303 33.649 1.00 65.50 ATOM 985 HG11 ILE 63 3.010 -31.381 33.606 1.00 38.48 ATOM 986 HG12 ILE 63 1.533 -32.183 33.086 1.00 21.40 ATOM 987 CG2 ILE 63 3.372 -32.805 35.943 1.00 64.20 ATOM 988 HG21 ILE 63 3.111 -32.958 36.980 1.00 72.42 ATOM 989 HG22 ILE 63 3.995 -31.926 35.858 1.00 51.11 ATOM 990 HG23 ILE 63 3.914 -33.665 35.577 1.00 74.14 ATOM 991 CD1 ILE 63 3.267 -33.378 32.964 1.00 50.24 ATOM 992 HD11 ILE 63 3.463 -33.085 31.944 1.00 22.42 ATOM 993 HD12 ILE 63 2.719 -34.309 32.970 1.00 30.52 ATOM 994 HD13 ILE 63 4.202 -33.508 33.488 1.00 43.05 ATOM 995 C ILE 63 0.887 -34.164 36.692 1.00 71.21 ATOM 996 O ILE 63 0.511 -33.277 37.464 1.00 55.40 ATOM 997 N GLU 64 1.067 -35.423 37.082 1.00 53.25 ATOM 998 HN GLU 64 1.434 -36.073 36.442 1.00 38.48 ATOM 999 CA GLU 64 0.745 -35.863 38.442 1.00 3.21 ATOM 1000 HA GLU 64 -0.185 -35.388 38.727 1.00 10.55 ATOM 1001 CB GLU 64 0.545 -37.381 38.465 1.00 34.04 ATOM 1002 HB1 GLU 64 1.464 -37.857 38.154 1.00 38.48 ATOM 1003 HB2 GLU 64 -0.235 -37.638 37.761 1.00 61.25 ATOM 1004 CG GLU 64 0.157 -37.936 39.830 1.00 22.51 ATOM 1005 HG1 GLU 64 -0.665 -37.352 40.221 1.00 38.48 ATOM 1006 HG2 GLU 64 1.005 -37.850 40.496 1.00 71.23 ATOM 1007 CD GLU 64 -0.267 -39.392 39.765 1.00 13.20 ATOM 1008 OE1 GLU 64 -1.480 -39.653 39.632 1.00 24.52 ATOM 1009 OE2 GLU 64 0.608 -40.279 39.832 1.00 72.31 ATOM 1010 C GLU 64 1.835 -35.447 39.441 1.00 33.31 ATOM 1011 O GLU 64 1.535 -34.998 40.552 1.00 15.11 ATOM 1012 N LYS 65 3.097 -35.603 39.043 1.00 41.31 ATOM 1013 HN LYS 65 3.273 -36.032 38.175 1.00 38.48 ATOM 1014 CA LYS 65 4.232 -35.154 39.864 1.00 31.32 ATOM 1015 HA LYS 65 3.925 -34.259 40.388 1.00 34.12 ATOM 1016 CB LYS 65 4.619 -36.225 40.896 1.00 64.35 ATOM 1017 HB1 LYS 65 4.910 -37.126 40.372 1.00 38.48 ATOM 1018 HB2 LYS 65 3.758 -36.441 41.514 1.00 52.33 ATOM 1019 CG LYS 65 5.773 -35.808 41.811 1.00 31.42 ATOM 1020 HG1 LYS 65 5.487 -34.917 42.353 1.00 38.48 ATOM 1021 HG2 LYS 65 6.642 -35.595 41.204 1.00 72.23 ATOM 1022 CD LYS 65 6.130 -36.904 42.813 1.00 3.01 ATOM 1023 HD1 LYS 65 6.410 -37.797 42.271 1.00 38.48 ATOM 1024 HD2 LYS 65 5.265 -37.112 43.426 1.00 33.24 ATOM 1025 CE LYS 65 7.287 -36.491 43.719 1.00 25.23 ATOM 1026 HE1 LYS 65 8.154 -36.285 43.106 1.00 38.48 ATOM 1027 HE2 LYS 65 7.511 -37.304 44.394 1.00 3.54 ATOM 1028 NZ LYS 65 6.963 -35.280 44.518 1.00 14.33 ATOM 1029 HZ1 LYS 65 6.881 -34.448 43.899 1.00 71.20 ATOM 1030 HZ2 LYS 65 7.709 -35.102 45.221 1.00 24.54 ATOM 1031 HZ3 LYS 65 6.062 -35.412 45.019 1.00 53.51 ATOM 1032 C LYS 65 5.447 -34.814 38.991 1.00 13.45 ATOM 1033 O LYS 65 5.868 -35.616 38.156 1.00 21.30 ATOM 1034 N VAL 66 6.011 -33.629 39.195 1.00 74.24 ATOM 1035 HN VAL 66 5.643 -33.039 39.890 1.00 38.48 ATOM 1036 CA VAL 66 7.169 -33.178 38.418 1.00 14.34 ATOM 1037 HA VAL 66 7.492 -34.000 37.791 1.00 13.41 ATOM 1038 CB VAL 66 6.796 -31.986 37.494 1.00 14.20 ATOM 1039 HB VAL 66 5.977 -32.298 36.860 1.00 51.11 ATOM 1040 CG1 VAL 66 6.323 -30.785 38.312 1.00 43.42 ATOM 1041 HG11 VAL 66 7.122 -30.452 38.961 1.00 53.43 ATOM 1042 HG12 VAL 66 5.470 -31.071 38.912 1.00 1.14 ATOM 1043 HG13 VAL 66 6.042 -29.981 37.647 1.00 75.34 ATOM 1044 CG2 VAL 66 7.972 -31.603 36.594 1.00 52.01 ATOM 1045 HG21 VAL 66 8.806 -31.292 37.204 1.00 63.43 ATOM 1046 HG22 VAL 66 7.680 -30.791 35.943 1.00 65.55 ATOM 1047 HG23 VAL 66 8.263 -32.455 35.995 1.00 31.00 ATOM 1048 C VAL 66 8.332 -32.770 39.334 1.00 1.13 ATOM 1049 O VAL 66 8.123 -32.307 40.456 1.00 20.52 ATOM 1050 N TYR 67 9.556 -32.969 38.856 1.00 51.34 ATOM 1051 HN TYR 67 9.658 -33.432 37.999 1.00 38.48 ATOM 1052 CA TYR 67 10.755 -32.523 39.566 1.00 13.01 ATOM 1053 HA TYR 67 10.493 -32.352 40.602 1.00 24.33 ATOM 1054 CB TYR 67 11.847 -33.601 39.495 1.00 13.52 ATOM 1055 HB1 TYR 67 12.689 -33.291 40.098 1.00 38.48 ATOM 1056 HB2 TYR 67 12.171 -33.709 38.469 1.00 63.53 ATOM 1057 CG TYR 67 11.394 -34.964 39.987 1.00 22.33 ATOM 1058 CD1 TYR 67 10.756 -35.856 39.132 1.00 52.34 ATOM 1059 HD1 TYR 67 10.582 -35.566 38.106 1.00 23.12 ATOM 1060 CD2 TYR 67 11.609 -35.359 41.303 1.00 41.51 ATOM 1061 HD2 TYR 67 12.105 -34.681 41.982 1.00 15.30 ATOM 1062 CE1 TYR 67 10.344 -37.097 39.573 1.00 40.24 ATOM 1063 HE1 TYR 67 9.850 -37.774 38.892 1.00 14.23 ATOM 1064 CE2 TYR 67 11.199 -36.600 41.749 1.00 55.42 ATOM 1065 HE2 TYR 67 11.373 -36.889 42.775 1.00 33.24 ATOM 1066 CZ TYR 67 10.568 -37.465 40.879 1.00 74.23 ATOM 1067 OH TYR 67 10.158 -38.704 41.318 1.00 12.02 ATOM 1068 HH TYR 67 10.431 -39.375 40.680 1.00 14.25 ATOM 1069 C TYR 67 11.269 -31.208 38.955 1.00 54.00 ATOM 1070 O TYR 67 12.039 -31.224 37.991 1.00 63.52 ATOM 1071 N PRO 68 10.838 -30.049 39.499 1.00 31.53 ATOM 1072 CA PRO 68 11.185 -28.729 38.936 1.00 4.31 ATOM 1073 HA PRO 68 10.920 -28.668 37.889 1.00 72.41 ATOM 1074 CB PRO 68 10.305 -27.766 39.743 1.00 71.03 ATOM 1075 HB1 PRO 68 9.378 -27.591 39.214 1.00 38.48 ATOM 1076 HB2 PRO 68 10.823 -26.828 39.887 1.00 31.25 ATOM 1077 CG PRO 68 10.066 -28.466 41.039 1.00 50.33 ATOM 1078 HG1 PRO 68 9.135 -28.131 41.476 1.00 38.48 ATOM 1079 HG2 PRO 68 10.888 -28.277 41.716 1.00 52.42 ATOM 1080 CD PRO 68 9.989 -29.930 40.702 1.00 12.23 ATOM 1081 HD1 PRO 68 8.970 -30.214 40.482 1.00 38.48 ATOM 1082 HD2 PRO 68 10.381 -30.528 41.515 1.00 12.35 ATOM 1083 C PRO 68 12.671 -28.381 39.099 1.00 52.24 ATOM 1084 O PRO 68 13.189 -27.474 38.446 1.00 61.33 ATOM 1085 N GLU 69 13.347 -29.115 39.974 1.00 23.21 ATOM 1086 HN GLU 69 12.874 -29.818 40.464 1.00 38.48 ATOM 1087 CA GLU 69 14.774 -28.917 40.227 1.00 41.14 ATOM 1088 HA GLU 69 15.207 -28.461 39.346 1.00 63.11 ATOM 1089 CB GLU 69 14.962 -27.963 41.419 1.00 0.12 ATOM 1090 HB1 GLU 69 14.654 -26.971 41.117 1.00 38.48 ATOM 1091 HB2 GLU 69 16.010 -27.936 41.683 1.00 55.25 ATOM 1092 CG GLU 69 14.161 -28.354 42.664 1.00 65.34 ATOM 1093 HG1 GLU 69 14.605 -29.239 43.099 1.00 38.48 ATOM 1094 HG2 GLU 69 13.145 -28.577 42.366 1.00 15.31 ATOM 1095 CD GLU 69 14.128 -27.260 43.719 1.00 4.14 ATOM 1096 OE1 GLU 69 13.095 -27.128 44.414 1.00 64.31 ATOM 1097 OE2 GLU 69 15.127 -26.521 43.856 1.00 51.43 ATOM 1098 C GLU 69 15.471 -30.270 40.465 1.00 2.42 ATOM 1099 O GLU 69 15.711 -30.677 41.603 1.00 52.04 ATOM 1100 N PRO 70 15.769 -31.005 39.379 1.00 61.02 ATOM 1101 CA PRO 70 16.353 -32.352 39.466 1.00 1.23 ATOM 1102 HA PRO 70 15.834 -32.956 40.199 1.00 52.12 ATOM 1103 CB PRO 70 16.094 -32.921 38.066 1.00 34.34 ATOM 1104 HB1 PRO 70 15.137 -33.421 38.048 1.00 38.48 ATOM 1105 HB2 PRO 70 16.875 -33.623 37.806 1.00 74.43 ATOM 1106 CG PRO 70 16.104 -31.731 37.166 1.00 62.42 ATOM 1107 HG1 PRO 70 15.479 -31.915 36.303 1.00 38.48 ATOM 1108 HG2 PRO 70 17.118 -31.518 36.853 1.00 74.33 ATOM 1109 CD PRO 70 15.553 -30.583 37.977 1.00 53.21 ATOM 1110 HD1 PRO 70 14.498 -30.449 37.775 1.00 38.48 ATOM 1111 HD2 PRO 70 16.096 -29.672 37.761 1.00 53.52 ATOM 1112 C PRO 70 17.858 -32.352 39.785 1.00 12.32 ATOM 1113 O PRO 70 18.638 -31.607 39.187 1.00 71.42 ATOM 1114 N ARG 71 18.261 -33.189 40.736 1.00 53.53 ATOM 1115 HN ARG 71 17.589 -33.710 41.230 1.00 38.48 ATOM 1116 CA ARG 71 19.680 -33.359 41.067 1.00 51.23 ATOM 1117 HA ARG 71 20.219 -32.501 40.682 1.00 25.23 ATOM 1118 CB ARG 71 19.885 -33.430 42.592 1.00 41.01 ATOM 1119 HB1 ARG 71 20.902 -33.748 42.790 1.00 38.48 ATOM 1120 HB2 ARG 71 19.210 -34.169 42.993 1.00 31.44 ATOM 1121 CG ARG 71 19.644 -32.115 43.339 1.00 75.35 ATOM 1122 HG1 ARG 71 20.173 -31.321 42.830 1.00 38.48 ATOM 1123 HG2 ARG 71 20.032 -32.213 44.343 1.00 61.45 ATOM 1124 CD ARG 71 18.166 -31.749 43.425 1.00 40.21 ATOM 1125 HD1 ARG 71 17.642 -32.543 43.940 1.00 38.48 ATOM 1126 HD2 ARG 71 17.773 -31.650 42.423 1.00 30.45 ATOM 1127 NE ARG 71 17.953 -30.491 44.140 1.00 22.41 ATOM 1128 HE ARG 71 18.629 -29.792 44.037 1.00 1.23 ATOM 1129 CZ ARG 71 16.915 -30.240 44.894 1.00 14.04 ATOM 1130 NH1 ARG 71 16.016 -31.147 45.106 1.00 4.11 ATOM 1131 HH11 ARG 71 16.109 -32.053 44.695 1.00 15.41 ATOM 1132 HH12 ARG 71 15.237 -30.945 45.694 1.00 4.23 ATOM 1133 NH2 ARG 71 16.794 -29.085 45.459 1.00 64.30 ATOM 1134 HH21 ARG 71 17.492 -28.386 45.319 1.00 3.22 ATOM 1135 HH22 ARG 71 16.003 -28.895 46.038 1.00 64.34 ATOM 1136 C ARG 71 20.247 -34.629 40.410 1.00 35.01 ATOM 1137 O ARG 71 21.426 -34.685 40.052 1.00 74.54 ATOM 1138 N SER 72 19.395 -35.642 40.249 1.00 62.33 ATOM 1139 HN SER 72 18.458 -35.516 40.512 1.00 38.48 ATOM 1140 CA SER 72 19.811 -36.938 39.689 1.00 45.23 ATOM 1141 HA SER 72 20.885 -36.921 39.568 1.00 51.23 ATOM 1142 CB SER 72 19.441 -38.074 40.653 1.00 24.15 ATOM 1143 HB1 SER 72 19.788 -39.016 40.251 1.00 38.48 ATOM 1144 HB2 SER 72 18.367 -38.110 40.773 1.00 14.44 ATOM 1145 OG SER 72 20.032 -37.880 41.931 1.00 52.34 ATOM 1146 HG SER 72 19.372 -37.512 42.536 1.00 43.14 ATOM 1147 C SER 72 19.164 -37.200 38.321 1.00 64.02 ATOM 1148 O SER 72 18.040 -36.766 38.059 1.00 61.43 ATOM 1149 N GLU 73 19.883 -37.928 37.461 1.00 43.55 ATOM 1150 HN GLU 73 20.781 -38.217 37.726 1.00 38.48 ATOM 1151 CA GLU 73 19.395 -38.287 36.117 1.00 74.24 ATOM 1152 HA GLU 73 19.411 -37.391 35.512 1.00 32.43 ATOM 1153 CB GLU 73 20.340 -39.324 35.489 1.00 51.41 ATOM 1154 HB1 GLU 73 20.394 -40.183 36.142 1.00 38.48 ATOM 1155 HB2 GLU 73 21.325 -38.889 35.403 1.00 55.32 ATOM 1156 CG GLU 73 19.908 -39.802 34.106 1.00 72.24 ATOM 1157 HG1 GLU 73 19.891 -38.955 33.435 1.00 38.48 ATOM 1158 HG2 GLU 73 18.913 -40.219 34.176 1.00 71.02 ATOM 1159 CD GLU 73 20.837 -40.858 33.533 1.00 73.22 ATOM 1160 OE1 GLU 73 20.576 -42.065 33.738 1.00 74.11 ATOM 1161 OE2 GLU 73 21.840 -40.489 32.886 1.00 72.25 ATOM 1162 C GLU 73 17.958 -38.847 36.140 1.00 33.23 ATOM 1163 O GLU 73 17.119 -38.464 35.321 1.00 73.34 ATOM 1164 N SER 74 17.687 -39.756 37.078 1.00 43.13 ATOM 1165 HN SER 74 18.398 -40.022 37.695 1.00 38.48 ATOM 1166 CA SER 74 16.357 -40.380 37.207 1.00 61.14 ATOM 1167 HA SER 74 16.198 -40.993 36.331 1.00 51.31 ATOM 1168 CB SER 74 16.304 -41.274 38.451 1.00 31.03 ATOM 1169 HB1 SER 74 16.537 -40.684 39.326 1.00 38.48 ATOM 1170 HB2 SER 74 17.029 -42.069 38.351 1.00 71.51 ATOM 1171 OG SER 74 15.018 -41.850 38.619 1.00 63.03 ATOM 1172 HG SER 74 15.106 -42.710 39.048 1.00 21.34 ATOM 1173 C SER 74 15.235 -39.336 37.283 1.00 71.15 ATOM 1174 O SER 74 14.212 -39.459 36.605 1.00 35.15 ATOM 1175 N GLU 75 15.438 -38.303 38.103 1.00 10.32 ATOM 1176 HN GLU 75 16.269 -38.262 38.621 1.00 38.48 ATOM 1177 CA GLU 75 14.454 -37.223 38.250 1.00 72.44 ATOM 1178 HA GLU 75 13.551 -37.652 38.660 1.00 41.23 ATOM 1179 CB GLU 75 14.982 -36.151 39.217 1.00 14.15 ATOM 1180 HB1 GLU 75 14.262 -35.347 39.269 1.00 38.48 ATOM 1181 HB2 GLU 75 15.912 -35.760 38.826 1.00 12.21 ATOM 1182 CG GLU 75 15.237 -36.655 40.636 1.00 22.30 ATOM 1183 HG1 GLU 75 15.964 -37.454 40.594 1.00 38.48 ATOM 1184 HG2 GLU 75 14.309 -37.038 41.042 1.00 34.15 ATOM 1185 CD GLU 75 15.760 -35.563 41.561 1.00 34.33 ATOM 1186 OE1 GLU 75 14.947 -34.753 42.057 1.00 4.21 ATOM 1187 OE2 GLU 75 16.988 -35.505 41.790 1.00 32.41 ATOM 1188 C GLU 75 14.126 -36.579 36.893 1.00 61.41 ATOM 1189 O GLU 75 12.959 -36.426 36.528 1.00 33.33 ATOM 1190 N CYS 76 15.168 -36.216 36.149 1.00 3.22 ATOM 1191 HN CYS 76 16.074 -36.370 36.496 1.00 38.48 ATOM 1192 CA CYS 76 15.010 -35.590 34.828 1.00 42.23 ATOM 1193 HA CYS 76 14.442 -34.679 34.956 1.00 52.13 ATOM 1194 CB CYS 76 16.384 -35.241 34.251 1.00 22.32 ATOM 1195 HB1 CYS 76 16.253 -34.661 33.349 1.00 38.48 ATOM 1196 HB2 CYS 76 16.911 -36.154 34.013 1.00 4.01 ATOM 1197 SG CYS 76 17.433 -34.284 35.370 1.00 21.02 ATOM 1198 HG CYS 76 17.500 -33.042 34.907 1.00 13.54 ATOM 1199 C CYS 76 14.263 -36.514 33.852 1.00 1.41 ATOM 1200 O CYS 76 13.282 -36.113 33.220 1.00 2.35 ATOM 1201 N LEU 77 14.735 -37.759 33.742 1.00 60.50 ATOM 1202 HN LEU 77 15.528 -38.013 34.263 1.00 38.48 ATOM 1203 CA LEU 77 14.103 -38.760 32.869 1.00 62.43 ATOM 1204 HA LEU 77 14.169 -38.398 31.851 1.00 35.42 ATOM 1205 CB LEU 77 14.845 -40.103 32.964 1.00 3.11 ATOM 1206 HB1 LEU 77 14.312 -40.829 32.367 1.00 38.48 ATOM 1207 HB2 LEU 77 14.825 -40.429 33.997 1.00 53.41 ATOM 1208 CG LEU 77 16.311 -40.082 32.495 1.00 31.55 ATOM 1209 HG LEU 77 16.869 -39.394 33.116 1.00 1.24 ATOM 1210 CD1 LEU 77 16.945 -41.462 32.647 1.00 32.31 ATOM 1211 HD11 LEU 77 17.968 -41.429 32.301 1.00 1.42 ATOM 1212 HD12 LEU 77 16.390 -42.182 32.063 1.00 11.14 ATOM 1213 HD13 LEU 77 16.927 -41.753 33.688 1.00 23.20 ATOM 1214 CD2 LEU 77 16.413 -39.596 31.049 1.00 44.01 ATOM 1215 HD21 LEU 77 16.051 -38.581 30.981 1.00 13.52 ATOM 1216 HD22 LEU 77 15.818 -40.233 30.409 1.00 33.42 ATOM 1217 HD23 LEU 77 17.444 -39.630 30.728 1.00 61.13 ATOM 1218 C LEU 77 12.622 -38.955 33.225 1.00 11.32 ATOM 1219 O LEU 77 11.780 -39.135 32.344 1.00 12.24 ATOM 1220 N SER 78 12.314 -38.913 34.522 1.00 11.35 ATOM 1221 HN SER 78 13.036 -38.794 35.177 1.00 38.48 ATOM 1222 CA SER 78 10.930 -39.043 34.999 1.00 23.42 ATOM 1223 HA SER 78 10.540 -39.978 34.619 1.00 43.45 ATOM 1224 CB SER 78 10.882 -39.076 36.533 1.00 52.21 ATOM 1225 HB1 SER 78 11.300 -38.159 36.925 1.00 38.48 ATOM 1226 HB2 SER 78 11.460 -39.916 36.892 1.00 62.30 ATOM 1227 OG SER 78 9.549 -39.208 37.003 1.00 42.31 ATOM 1228 HG SER 78 9.256 -38.368 37.372 1.00 52.20 ATOM 1229 C SER 78 10.048 -37.899 34.480 1.00 74.23 ATOM 1230 O SER 78 8.915 -38.126 34.055 1.00 43.23 ATOM 1231 N ASN 79 10.575 -36.672 34.509 1.00 4.44 ATOM 1232 HN ASN 79 11.470 -36.545 34.891 1.00 38.48 ATOM 1233 CA ASN 79 9.847 -35.505 33.988 1.00 44.25 ATOM 1234 HA ASN 79 8.937 -35.398 34.563 1.00 15.54 ATOM 1235 CB ASN 79 10.686 -34.231 34.142 1.00 61.40 ATOM 1236 HB1 ASN 79 10.144 -33.397 33.715 1.00 38.48 ATOM 1237 HB2 ASN 79 11.616 -34.356 33.609 1.00 53.02 ATOM 1238 CG ASN 79 11.006 -33.904 35.587 1.00 13.31 ATOM 1239 OD1 ASN 79 10.261 -34.247 36.494 1.00 43.33 ATOM 1240 ND2 ASN 79 12.113 -33.225 35.810 1.00 14.13 ATOM 1241 HD21 ASN 79 12.663 -32.974 35.040 1.00 73.01 ATOM 1242 HD22 ASN 79 12.329 -32.989 36.734 1.00 33.12 ATOM 1243 C ASN 79 9.478 -35.696 32.511 1.00 52.52 ATOM 1244 O ASN 79 8.339 -35.460 32.103 1.00 5.31 ATOM 1245 N ILE 80 10.450 -36.123 31.712 1.00 3.50 ATOM 1246 HN ILE 80 11.349 -36.257 32.084 1.00 38.48 ATOM 1247 CA ILE 80 10.214 -36.382 30.291 1.00 12.53 ATOM 1248 HA ILE 80 9.801 -35.480 29.856 1.00 4.32 ATOM 1249 CB ILE 80 11.531 -36.721 29.548 1.00 31.51 ATOM 1250 HB ILE 80 11.901 -37.664 29.931 1.00 72.14 ATOM 1251 CG1 ILE 80 12.587 -35.629 29.795 1.00 21.34 ATOM 1252 HG11 ILE 80 12.748 -35.527 30.858 1.00 38.48 ATOM 1253 HG12 ILE 80 12.225 -34.691 29.400 1.00 13.35 ATOM 1254 CG2 ILE 80 11.272 -36.887 28.050 1.00 45.24 ATOM 1255 HG21 ILE 80 12.201 -37.111 27.544 1.00 3.32 ATOM 1256 HG22 ILE 80 10.856 -35.974 27.649 1.00 5.33 ATOM 1257 HG23 ILE 80 10.576 -37.698 27.892 1.00 50.50 ATOM 1258 CD1 ILE 80 13.928 -35.913 29.148 1.00 35.34 ATOM 1259 HD11 ILE 80 14.613 -35.108 29.371 1.00 1.13 ATOM 1260 HD12 ILE 80 13.802 -35.991 28.078 1.00 30.12 ATOM 1261 HD13 ILE 80 14.326 -36.841 29.532 1.00 42.31 ATOM 1262 C ILE 80 9.204 -37.528 30.102 1.00 44.22 ATOM 1263 O ILE 80 8.312 -37.451 29.256 1.00 61.34 ATOM 1264 N ARG 81 9.340 -38.584 30.907 1.00 30.53 ATOM 1265 HN ARG 81 10.080 -38.597 31.551 1.00 38.48 ATOM 1266 CA ARG 81 8.414 -39.724 30.857 1.00 51.33 ATOM 1267 HA ARG 81 8.432 -40.113 29.847 1.00 60.13 ATOM 1268 CB ARG 81 8.871 -40.833 31.818 1.00 55.42 ATOM 1269 HB1 ARG 81 8.064 -41.543 31.944 1.00 38.48 ATOM 1270 HB2 ARG 81 9.096 -40.387 32.776 1.00 65.10 ATOM 1271 CG ARG 81 10.107 -41.596 31.346 1.00 65.21 ATOM 1272 HG1 ARG 81 10.917 -40.894 31.196 1.00 38.48 ATOM 1273 HG2 ARG 81 9.880 -42.087 30.411 1.00 4.21 ATOM 1274 CD ARG 81 10.546 -42.650 32.359 1.00 60.32 ATOM 1275 HD1 ARG 81 10.837 -42.153 33.276 1.00 38.48 ATOM 1276 HD2 ARG 81 11.396 -43.184 31.959 1.00 15.34 ATOM 1277 NE ARG 81 9.483 -43.610 32.659 1.00 44.53 ATOM 1278 HE ARG 81 8.574 -43.376 32.395 1.00 55.51 ATOM 1279 CZ ARG 81 9.675 -44.748 33.274 1.00 34.33 ATOM 1280 NH1 ARG 81 10.867 -45.131 33.605 1.00 15.33 ATOM 1281 HH11 ARG 81 11.655 -44.562 33.388 1.00 11.21 ATOM 1282 HH12 ARG 81 10.993 -46.001 34.079 1.00 34.21 ATOM 1283 NH2 ARG 81 8.672 -45.514 33.549 1.00 5.22 ATOM 1284 HH21 ARG 81 7.747 -45.244 33.293 1.00 21.54 ATOM 1285 HH22 ARG 81 8.828 -46.381 34.017 1.00 41.32 ATOM 1286 C ARG 81 6.973 -39.302 31.189 1.00 63.21 ATOM 1287 O ARG 81 6.027 -39.770 30.558 1.00 21.32 ATOM 1288 N GLU 82 6.814 -38.419 32.178 1.00 44.54 ATOM 1289 HN GLU 82 7.601 -38.110 32.675 1.00 38.48 ATOM 1290 CA GLU 82 5.489 -37.895 32.544 1.00 21.40 ATOM 1291 HA GLU 82 4.861 -38.738 32.804 1.00 43.04 ATOM 1292 CB GLU 82 5.599 -36.958 33.765 1.00 41.32 ATOM 1293 HB1 GLU 82 6.220 -36.114 33.498 1.00 38.48 ATOM 1294 HB2 GLU 82 6.076 -37.496 34.573 1.00 50.13 ATOM 1295 CG GLU 82 4.258 -36.423 34.275 1.00 61.11 ATOM 1296 HG1 GLU 82 3.680 -36.076 33.429 1.00 38.48 ATOM 1297 HG2 GLU 82 4.450 -35.588 34.935 1.00 53.24 ATOM 1298 CD GLU 82 3.434 -37.460 35.031 1.00 1.12 ATOM 1299 OE1 GLU 82 3.035 -38.477 34.424 1.00 51.42 ATOM 1300 OE2 GLU 82 3.171 -37.259 36.239 1.00 14.24 ATOM 1301 C GLU 82 4.853 -37.151 31.352 1.00 51.20 ATOM 1302 O GLU 82 3.668 -37.320 31.052 1.00 72.22 ATOM 1303 N PHE 83 5.660 -36.338 30.669 1.00 74.05 ATOM 1304 HN PHE 83 6.575 -36.195 30.997 1.00 38.48 ATOM 1305 CA PHE 83 5.223 -35.641 29.452 1.00 14.34 ATOM 1306 HA PHE 83 4.366 -35.033 29.708 1.00 5.03 ATOM 1307 CB PHE 83 6.352 -34.728 28.952 1.00 42.32 ATOM 1308 HB1 PHE 83 7.247 -35.321 28.815 1.00 38.48 ATOM 1309 HB2 PHE 83 6.545 -33.971 29.698 1.00 22.00 ATOM 1310 CG PHE 83 6.050 -34.027 27.649 1.00 21.23 ATOM 1311 CD1 PHE 83 6.633 -34.454 26.463 1.00 40.12 ATOM 1312 HD1 PHE 83 7.307 -35.298 26.477 1.00 31.23 ATOM 1313 CD2 PHE 83 5.187 -32.941 27.613 1.00 13.54 ATOM 1314 HD2 PHE 83 4.726 -32.599 28.529 1.00 60.41 ATOM 1315 CE1 PHE 83 6.360 -33.812 25.271 1.00 75.41 ATOM 1316 HE1 PHE 83 6.820 -34.154 24.355 1.00 0.21 ATOM 1317 CE2 PHE 83 4.912 -32.296 26.423 1.00 64.23 ATOM 1318 HE2 PHE 83 4.240 -31.450 26.409 1.00 35.11 ATOM 1319 CZ PHE 83 5.500 -32.732 25.251 1.00 13.52 ATOM 1320 HZ PHE 83 5.286 -32.229 24.319 1.00 31.53 ATOM 1321 C PHE 83 4.812 -36.639 28.354 1.00 21.12 ATOM 1322 O PHE 83 3.709 -36.558 27.802 1.00 22.01 ATOM 1323 N LEU 84 5.708 -37.579 28.047 1.00 1.14 ATOM 1324 HN LEU 84 6.579 -37.567 28.499 1.00 38.48 ATOM 1325 CA LEU 84 5.437 -38.629 27.055 1.00 63.24 ATOM 1326 HA LEU 84 5.249 -38.148 26.104 1.00 22.24 ATOM 1327 CB LEU 84 6.658 -39.550 26.918 1.00 41.51 ATOM 1328 HB1 LEU 84 6.427 -40.313 26.187 1.00 38.48 ATOM 1329 HB2 LEU 84 6.825 -40.030 27.873 1.00 61.42 ATOM 1330 CG LEU 84 7.964 -38.857 26.492 1.00 11.24 ATOM 1331 HG LEU 84 8.181 -38.062 27.192 1.00 63.23 ATOM 1332 CD1 LEU 84 9.134 -39.839 26.530 1.00 65.12 ATOM 1333 HD11 LEU 84 8.932 -40.673 25.870 1.00 3.21 ATOM 1334 HD12 LEU 84 9.268 -40.204 27.538 1.00 33.11 ATOM 1335 HD13 LEU 84 10.036 -39.338 26.209 1.00 62.00 ATOM 1336 CD2 LEU 84 7.819 -38.234 25.105 1.00 44.43 ATOM 1337 HD21 LEU 84 8.737 -37.730 24.839 1.00 24.21 ATOM 1338 HD22 LEU 84 7.009 -37.519 25.114 1.00 73.25 ATOM 1339 HD23 LEU 84 7.609 -39.006 24.380 1.00 12.04 ATOM 1340 C LEU 84 4.206 -39.460 27.445 1.00 31.34 ATOM 1341 O LEU 84 3.473 -39.954 26.585 1.00 12.34 ATOM 1342 N ARG 85 3.997 -39.616 28.748 1.00 24.43 ATOM 1343 HN ARG 85 4.642 -39.233 29.379 1.00 38.48 ATOM 1344 CA ARG 85 2.837 -40.333 29.277 1.00 43.23 ATOM 1345 HA ARG 85 2.823 -41.321 28.833 1.00 74.33 ATOM 1346 CB ARG 85 2.974 -40.474 30.801 1.00 0.45 ATOM 1347 HB1 ARG 85 3.164 -39.495 31.218 1.00 38.48 ATOM 1348 HB2 ARG 85 3.821 -41.112 31.014 1.00 22.42 ATOM 1349 CG ARG 85 1.746 -41.057 31.495 1.00 33.33 ATOM 1350 HG1 ARG 85 1.524 -42.023 31.062 1.00 38.48 ATOM 1351 HG2 ARG 85 0.908 -40.392 31.338 1.00 14.41 ATOM 1352 CD ARG 85 1.968 -41.222 32.997 1.00 35.51 ATOM 1353 HD1 ARG 85 1.027 -41.488 33.457 1.00 38.48 ATOM 1354 HD2 ARG 85 2.308 -40.280 33.403 1.00 44.31 ATOM 1355 NE ARG 85 2.953 -42.258 33.308 1.00 21.50 ATOM 1356 HE ARG 85 2.847 -43.124 32.868 1.00 63.50 ATOM 1357 CZ ARG 85 3.936 -42.115 34.157 1.00 3.32 ATOM 1358 NH1 ARG 85 4.162 -40.973 34.728 1.00 1.51 ATOM 1359 HH11 ARG 85 3.587 -40.182 34.513 1.00 10.34 ATOM 1360 HH12 ARG 85 4.915 -40.880 35.378 1.00 4.23 ATOM 1361 NH2 ARG 85 4.703 -43.121 34.427 1.00 33.52 ATOM 1362 HH21 ARG 85 4.548 -43.999 33.977 1.00 35.25 ATOM 1363 HH22 ARG 85 5.444 -43.022 35.088 1.00 33.02 ATOM 1364 C ARG 85 1.529 -39.609 28.921 1.00 53.32 ATOM 1365 O ARG 85 0.617 -40.206 28.346 1.00 1.14 ATOM 1366 N GLY 86 1.454 -38.318 29.249 1.00 34.45 ATOM 1367 HN GLY 86 2.223 -37.891 29.687 1.00 38.48 ATOM 1368 CA GLY 86 0.251 -37.535 28.974 1.00 72.21 ATOM 1369 HA1 GLY 86 0.377 -36.551 29.396 1.00 38.48 ATOM 1370 HA2 GLY 86 -0.590 -38.010 29.458 1.00 51.12 ATOM 1371 C GLY 86 -0.058 -37.393 27.487 1.00 65.05 ATOM 1372 O GLY 86 -1.120 -37.820 27.023 1.00 12.22 ATOM 1373 N CYS 87 0.863 -36.784 26.739 1.00 54.43 ATOM 1374 HN CYS 87 1.673 -36.429 27.171 1.00 38.48 ATOM 1375 CA CYS 87 0.697 -36.609 25.288 1.00 30.41 ATOM 1376 HA CYS 87 -0.168 -35.981 25.129 1.00 74.14 ATOM 1377 CB CYS 87 1.929 -35.917 24.700 1.00 33.30 ATOM 1378 HB1 CYS 87 1.763 -35.729 23.649 1.00 38.48 ATOM 1379 HB2 CYS 87 2.789 -36.562 24.816 1.00 25.03 ATOM 1380 SG CYS 87 2.323 -34.338 25.487 1.00 52.42 ATOM 1381 HG CYS 87 2.834 -33.539 24.566 1.00 44.25 ATOM 1382 C CYS 87 0.472 -37.955 24.584 1.00 15.32 ATOM 1383 O CYS 87 -0.383 -38.080 23.705 1.00 21.22 ATOM 1384 N GLY 88 1.247 -38.958 24.986 1.00 24.40 ATOM 1385 HN GLY 88 1.928 -38.788 25.669 1.00 38.48 ATOM 1386 CA GLY 88 1.108 -40.295 24.426 1.00 53.55 ATOM 1387 HA1 GLY 88 1.882 -40.922 24.840 1.00 38.48 ATOM 1388 HA2 GLY 88 1.244 -40.239 23.355 1.00 1.13 ATOM 1389 C GLY 88 -0.248 -40.937 24.718 1.00 61.53 ATOM 1390 O GLY 88 -0.823 -41.597 23.856 1.00 30.13 ATOM 1391 N ALA 89 -0.765 -40.737 25.930 1.00 22.53 ATOM 1392 HN ALA 89 -0.276 -40.174 26.569 1.00 38.48 ATOM 1393 CA ALA 89 -2.040 -41.342 26.342 1.00 43.02 ATOM 1394 HA ALA 89 -2.027 -42.379 26.031 1.00 31.40 ATOM 1395 CB ALA 89 -2.168 -41.313 27.863 1.00 71.04 ATOM 1396 HB1 ALA 89 -2.253 -40.289 28.200 1.00 0.52 ATOM 1397 HB2 ALA 89 -1.293 -41.765 28.307 1.00 23.22 ATOM 1398 HB3 ALA 89 -3.048 -41.865 28.162 1.00 12.35 ATOM 1399 C ALA 89 -3.253 -40.652 25.693 1.00 4.42 ATOM 1400 O ALA 89 -4.007 -41.273 24.941 1.00 73.21 ATOM 1401 N SER 90 -3.436 -39.364 25.984 1.00 75.34 ATOM 1402 HN SER 90 -2.771 -38.904 26.543 1.00 38.48 ATOM 1403 CA SER 90 -4.608 -38.614 25.500 1.00 35.21 ATOM 1404 HA SER 90 -5.487 -39.203 25.727 1.00 31.15 ATOM 1405 CB SER 90 -4.723 -37.268 26.231 1.00 41.25 ATOM 1406 HB1 SER 90 -3.795 -36.721 26.131 1.00 38.48 ATOM 1407 HB2 SER 90 -4.925 -37.446 27.278 1.00 24.15 ATOM 1408 OG SER 90 -5.776 -36.479 25.691 1.00 53.25 ATOM 1409 HG SER 90 -6.063 -35.836 26.354 1.00 52.43 ATOM 1410 C SER 90 -4.566 -38.369 23.983 1.00 74.03 ATOM 1411 O SER 90 -5.541 -38.623 23.271 1.00 25.12 ATOM 1412 N LEU 91 -3.435 -37.875 23.491 1.00 20.03 ATOM 1413 HN LEU 91 -2.664 -37.770 24.087 1.00 38.48 ATOM 1414 CA LEU 91 -3.310 -37.480 22.083 1.00 71.33 ATOM 1415 HA LEU 91 -4.278 -37.126 21.757 1.00 72.53 ATOM 1416 CB LEU 91 -2.308 -36.324 21.972 1.00 12.31 ATOM 1417 HB1 LEU 91 -2.062 -36.181 20.930 1.00 38.48 ATOM 1418 HB2 LEU 91 -1.406 -36.604 22.501 1.00 1.01 ATOM 1419 CG LEU 91 -2.809 -34.982 22.539 1.00 24.35 ATOM 1420 HG LEU 91 -3.269 -35.154 23.501 1.00 33.24 ATOM 1421 CD1 LEU 91 -1.655 -34.003 22.742 1.00 51.02 ATOM 1422 HD11 LEU 91 -0.948 -34.422 23.444 1.00 55.04 ATOM 1423 HD12 LEU 91 -2.037 -33.071 23.132 1.00 14.10 ATOM 1424 HD13 LEU 91 -1.160 -33.822 21.798 1.00 23.44 ATOM 1425 CD2 LEU 91 -3.863 -34.379 21.613 1.00 2.35 ATOM 1426 HD21 LEU 91 -4.203 -33.437 22.018 1.00 43.44 ATOM 1427 HD22 LEU 91 -4.700 -35.055 21.528 1.00 40.20 ATOM 1428 HD23 LEU 91 -3.431 -34.215 20.634 1.00 40.44 ATOM 1429 C LEU 91 -2.897 -38.651 21.173 1.00 74.15 ATOM 1430 O LEU 91 -3.187 -38.638 19.974 1.00 63.12 ATOM 1431 N ARG 92 -2.223 -39.653 21.747 1.00 2.44 ATOM 1432 HN ARG 92 -2.023 -39.597 22.704 1.00 38.48 ATOM 1433 CA ARG 92 -1.770 -40.841 20.995 1.00 14.11 ATOM 1434 HA ARG 92 -1.225 -41.468 21.686 1.00 10.02 ATOM 1435 CB ARG 92 -2.971 -41.638 20.454 1.00 13.42 ATOM 1436 HB1 ARG 92 -2.601 -42.468 19.869 1.00 38.48 ATOM 1437 HB2 ARG 92 -3.552 -40.993 19.811 1.00 71.00 ATOM 1438 CG ARG 92 -3.904 -42.195 21.529 1.00 33.33 ATOM 1439 HG1 ARG 92 -4.694 -42.752 21.044 1.00 38.48 ATOM 1440 HG2 ARG 92 -4.334 -41.370 22.079 1.00 30.44 ATOM 1441 CD ARG 92 -3.181 -43.116 22.512 1.00 64.10 ATOM 1442 HD1 ARG 92 -3.912 -43.551 23.178 1.00 38.48 ATOM 1443 HD2 ARG 92 -2.482 -42.529 23.089 1.00 63.21 ATOM 1444 NE ARG 92 -2.451 -44.194 21.842 1.00 22.52 ATOM 1445 HE ARG 92 -2.375 -44.154 20.869 1.00 34.21 ATOM 1446 CZ ARG 92 -1.884 -45.195 22.466 1.00 21.42 ATOM 1447 NH1 ARG 92 -1.985 -45.317 23.752 1.00 41.54 ATOM 1448 HH11 ARG 92 -2.506 -44.647 24.277 1.00 75.12 ATOM 1449 HH12 ARG 92 -1.540 -46.079 24.217 1.00 1.13 ATOM 1450 NH2 ARG 92 -1.219 -46.079 21.793 1.00 71.33 ATOM 1451 HH21 ARG 92 -1.141 -45.994 20.802 1.00 23.20 ATOM 1452 HH22 ARG 92 -0.791 -46.849 22.266 1.00 11.24 ATOM 1453 C ARG 92 -0.825 -40.469 19.834 1.00 1.14 ATOM 1454 O ARG 92 -0.634 -41.250 18.901 1.00 23.23 ATOM 1455 N LEU 93 -0.223 -39.284 19.908 1.00 34.45 ATOM 1456 HN LEU 93 -0.378 -38.724 20.692 1.00 38.48 ATOM 1457 CA LEU 93 0.675 -38.803 18.849 1.00 1.24 ATOM 1458 HA LEU 93 0.249 -39.112 17.903 1.00 23.11 ATOM 1459 CB LEU 93 0.740 -37.261 18.870 1.00 63.31 ATOM 1460 HB1 LEU 93 -0.220 -36.886 18.545 1.00 38.48 ATOM 1461 HB2 LEU 93 1.483 -36.944 18.149 1.00 23.23 ATOM 1462 CG LEU 93 1.075 -36.601 20.227 1.00 71.41 ATOM 1463 HG LEU 93 0.545 -37.125 21.010 1.00 13.35 ATOM 1464 CD1 LEU 93 2.565 -36.683 20.548 1.00 53.21 ATOM 1465 HD11 LEU 93 2.860 -37.719 20.628 1.00 74.44 ATOM 1466 HD12 LEU 93 2.758 -36.181 21.484 1.00 32.23 ATOM 1467 HD13 LEU 93 3.132 -36.206 19.760 1.00 21.00 ATOM 1468 CD2 LEU 93 0.609 -35.150 20.248 1.00 32.43 ATOM 1469 HD21 LEU 93 0.840 -34.712 21.209 1.00 32.51 ATOM 1470 HD22 LEU 93 -0.459 -35.113 20.085 1.00 21.12 ATOM 1471 HD23 LEU 93 1.112 -34.596 19.469 1.00 74.02 ATOM 1472 C LEU 93 2.078 -39.424 18.963 1.00 34.41 ATOM 1473 O LEU 93 2.404 -40.073 19.961 1.00 53.11 ATOM 1474 N GLU 94 2.900 -39.221 17.936 1.00 11.35 ATOM 1475 HN GLU 94 2.585 -38.692 17.172 1.00 38.48 ATOM 1476 CA GLU 94 4.260 -39.771 17.909 1.00 52.01 ATOM 1477 HA GLU 94 4.183 -40.835 18.093 1.00 73.13 ATOM 1478 CB GLU 94 4.886 -39.561 16.524 1.00 13.31 ATOM 1479 HB1 GLU 94 5.938 -39.808 16.572 1.00 38.48 ATOM 1480 HB2 GLU 94 4.782 -38.521 16.249 1.00 54.11 ATOM 1481 CG GLU 94 4.244 -40.413 15.435 1.00 0.41 ATOM 1482 HG1 GLU 94 3.179 -40.226 15.434 1.00 38.48 ATOM 1483 HG2 GLU 94 4.420 -41.455 15.660 1.00 52.01 ATOM 1484 CD GLU 94 4.793 -40.120 14.050 1.00 30.13 ATOM 1485 OE1 GLU 94 5.948 -40.502 13.766 1.00 64.11 ATOM 1486 OE2 GLU 94 4.066 -39.518 13.233 1.00 12.33 ATOM 1487 C GLU 94 5.152 -39.154 18.998 1.00 52.51 ATOM 1488 O GLU 94 5.307 -37.934 19.083 1.00 33.13 ATOM 1489 N THR 95 5.735 -40.016 19.826 1.00 0.33 ATOM 1490 HN THR 95 5.588 -40.977 19.688 1.00 38.48 ATOM 1491 CA THR 95 6.594 -39.584 20.933 1.00 62.03 ATOM 1492 HA THR 95 6.498 -38.509 21.030 1.00 1.14 ATOM 1493 CB THR 95 6.152 -40.226 22.274 1.00 70.44 ATOM 1494 HB THR 95 6.878 -39.971 23.034 1.00 30.22 ATOM 1495 OG1 THR 95 6.095 -41.658 22.148 1.00 75.33 ATOM 1496 HG1 THR 95 5.171 -41.940 22.125 1.00 1.34 ATOM 1497 CG2 THR 95 4.787 -39.698 22.715 1.00 22.41 ATOM 1498 HG21 THR 95 4.043 -39.957 21.976 1.00 44.30 ATOM 1499 HG22 THR 95 4.831 -38.623 22.820 1.00 13.45 ATOM 1500 HG23 THR 95 4.518 -40.140 23.664 1.00 20.12 ATOM 1501 C THR 95 8.073 -39.917 20.678 1.00 24.55 ATOM 1502 O THR 95 8.421 -40.561 19.686 1.00 23.12 ATOM 1503 N PHE 96 8.934 -39.465 21.587 1.00 34.04 ATOM 1504 HN PHE 96 8.586 -38.986 22.364 1.00 38.48 ATOM 1505 CA PHE 96 10.387 -39.661 21.479 1.00 52.34 ATOM 1506 HA PHE 96 10.589 -40.309 20.629 1.00 34.54 ATOM 1507 CB PHE 96 11.072 -38.305 21.247 1.00 61.01 ATOM 1508 HB1 PHE 96 10.754 -37.911 20.292 1.00 38.48 ATOM 1509 HB2 PHE 96 12.142 -38.450 21.225 1.00 40.15 ATOM 1510 CG PHE 96 10.764 -37.266 22.306 1.00 54.24 ATOM 1511 CD1 PHE 96 9.675 -36.412 22.166 1.00 24.42 ATOM 1512 HD1 PHE 96 9.042 -36.498 21.295 1.00 61.25 ATOM 1513 CD2 PHE 96 11.564 -37.137 23.435 1.00 24.54 ATOM 1514 HD2 PHE 96 12.414 -37.792 23.558 1.00 41.23 ATOM 1515 CE1 PHE 96 9.394 -35.457 23.128 1.00 50.04 ATOM 1516 HE1 PHE 96 8.546 -34.800 23.004 1.00 43.45 ATOM 1517 CE2 PHE 96 11.285 -36.185 24.398 1.00 4.35 ATOM 1518 HE2 PHE 96 11.917 -36.099 25.272 1.00 61.30 ATOM 1519 CZ PHE 96 10.199 -35.344 24.245 1.00 1.51 ATOM 1520 HZ PHE 96 9.980 -34.598 24.997 1.00 51.50 ATOM 1521 C PHE 96 10.949 -40.319 22.747 1.00 60.12 ATOM 1522 O PHE 96 10.248 -40.457 23.747 1.00 34.34 ATOM 1523 N ASP 97 12.215 -40.718 22.704 1.00 54.02 ATOM 1524 HN ASP 97 12.713 -40.642 21.862 1.00 38.48 ATOM 1525 CA ASP 97 12.883 -41.288 23.877 1.00 2.14 ATOM 1526 HA ASP 97 12.165 -41.897 24.411 1.00 64.53 ATOM 1527 CB ASP 97 14.057 -42.165 23.441 1.00 24.11 ATOM 1528 HB1 ASP 97 14.474 -42.653 24.311 1.00 38.48 ATOM 1529 HB2 ASP 97 14.816 -41.542 22.989 1.00 64.34 ATOM 1530 CG ASP 97 13.651 -43.227 22.440 1.00 61.32 ATOM 1531 OD1 ASP 97 13.503 -42.899 21.244 1.00 23.32 ATOM 1532 OD2 ASP 97 13.493 -44.399 22.842 1.00 43.05 ATOM 1533 C ASP 97 13.401 -40.184 24.812 1.00 0.15 ATOM 1534 O ASP 97 13.955 -39.179 24.357 1.00 3.03 ATOM 1535 N ALA 98 13.239 -40.381 26.120 1.00 32.21 ATOM 1536 HN ALA 98 12.744 -41.171 26.426 1.00 38.48 ATOM 1537 CA ALA 98 13.764 -39.437 27.114 1.00 32.11 ATOM 1538 HA ALA 98 13.314 -38.472 26.924 1.00 65.01 ATOM 1539 CB ALA 98 13.364 -39.877 28.519 1.00 65.25 ATOM 1540 HB1 ALA 98 13.693 -39.140 29.238 1.00 42.21 ATOM 1541 HB2 ALA 98 13.821 -40.829 28.746 1.00 72.22 ATOM 1542 HB3 ALA 98 12.289 -39.974 28.574 1.00 72.51 ATOM 1543 C ALA 98 15.293 -39.298 27.004 1.00 42.01 ATOM 1544 O ALA 98 15.861 -38.250 27.315 1.00 75.24 ATOM 1545 N ASN 99 15.947 -40.360 26.539 1.00 22.42 ATOM 1546 HN ASN 99 15.436 -41.161 26.301 1.00 38.48 ATOM 1547 CA ASN 99 17.405 -40.375 26.379 1.00 74.52 ATOM 1548 HA ASN 99 17.841 -40.074 27.324 1.00 53.02 ATOM 1549 CB ASN 99 17.875 -41.792 26.047 1.00 11.44 ATOM 1550 HB1 ASN 99 18.948 -41.789 25.909 1.00 38.48 ATOM 1551 HB2 ASN 99 17.400 -42.120 25.132 1.00 75.01 ATOM 1552 CG ASN 99 17.532 -42.777 27.149 1.00 22.34 ATOM 1553 OD1 ASN 99 16.435 -43.324 27.190 1.00 74.33 ATOM 1554 ND2 ASN 99 18.463 -43.013 28.050 1.00 45.12 ATOM 1555 HD21 ASN 99 19.321 -42.547 27.966 1.00 21.14 ATOM 1556 HD22 ASN 99 18.259 -43.651 28.764 1.00 25.44 ATOM 1557 C ASN 99 17.876 -39.397 25.288 1.00 52.31 ATOM 1558 O ASN 99 18.813 -38.630 25.501 1.00 44.52 ATOM 1559 N ASP 100 17.223 -39.427 24.126 1.00 71.35 ATOM 1560 HN ASP 100 16.480 -40.054 24.012 1.00 38.48 ATOM 1561 CA ASP 100 17.592 -38.550 23.005 1.00 11.42 ATOM 1562 HA ASP 100 18.602 -38.805 22.713 1.00 11.51 ATOM 1563 CB ASP 100 16.668 -38.797 21.812 1.00 12.34 ATOM 1564 HB1 ASP 100 16.801 -38.006 21.085 1.00 38.48 ATOM 1565 HB2 ASP 100 15.641 -38.800 22.151 1.00 51.04 ATOM 1566 CG ASP 100 16.962 -40.122 21.141 1.00 30.14 ATOM 1567 OD1 ASP 100 17.869 -40.165 20.292 1.00 21.33 ATOM 1568 OD2 ASP 100 16.294 -41.123 21.457 1.00 25.43 ATOM 1569 C ASP 100 17.565 -37.065 23.397 1.00 13.25 ATOM 1570 O ASP 100 18.460 -36.305 23.029 1.00 50.24 ATOM 1571 N LEU 101 16.546 -36.658 24.145 1.00 12.55 ATOM 1572 HN LEU 101 15.858 -37.306 24.405 1.00 38.48 ATOM 1573 CA LEU 101 16.423 -35.264 24.585 1.00 44.34 ATOM 1574 HA LEU 101 16.652 -34.630 23.739 1.00 30.31 ATOM 1575 CB LEU 101 14.985 -34.980 25.036 1.00 50.34 ATOM 1576 HB1 LEU 101 14.742 -35.662 25.839 1.00 38.48 ATOM 1577 HB2 LEU 101 14.324 -35.185 24.204 1.00 23.02 ATOM 1578 CG LEU 101 14.714 -33.547 25.527 1.00 11.30 ATOM 1579 HG LEU 101 15.340 -33.343 26.385 1.00 34.24 ATOM 1580 CD1 LEU 101 15.058 -32.524 24.444 1.00 73.23 ATOM 1581 HD11 LEU 101 16.104 -32.611 24.187 1.00 50.35 ATOM 1582 HD12 LEU 101 14.863 -31.526 24.813 1.00 44.21 ATOM 1583 HD13 LEU 101 14.455 -32.707 23.565 1.00 54.25 ATOM 1584 CD2 LEU 101 13.258 -33.404 25.963 1.00 52.21 ATOM 1585 HD21 LEU 101 13.039 -34.126 26.737 1.00 61.10 ATOM 1586 HD22 LEU 101 12.607 -33.576 25.118 1.00 34.33 ATOM 1587 HD23 LEU 101 13.092 -32.408 26.347 1.00 51.51 ATOM 1588 C LEU 101 17.406 -34.936 25.722 1.00 72.54 ATOM 1589 O LEU 101 18.153 -33.957 25.648 1.00 23.33 ATOM 1590 N TYR 102 17.410 -35.765 26.766 1.00 62.53 ATOM 1591 HN TYR 102 16.830 -36.558 26.749 1.00 38.48 ATOM 1592 CA TYR 102 18.250 -35.520 27.946 1.00 51.33 ATOM 1593 HA TYR 102 18.013 -34.531 28.312 1.00 5.21 ATOM 1594 CB TYR 102 17.931 -36.537 29.049 1.00 2.52 ATOM 1595 HB1 TYR 102 18.254 -37.518 28.729 1.00 38.48 ATOM 1596 HB2 TYR 102 16.863 -36.555 29.218 1.00 63.23 ATOM 1597 CG TYR 102 18.609 -36.224 30.373 1.00 13.23 ATOM 1598 CD1 TYR 102 18.396 -35.006 31.008 1.00 65.24 ATOM 1599 HD1 TYR 102 17.738 -34.283 30.549 1.00 3.34 ATOM 1600 CD2 TYR 102 19.463 -37.138 30.984 1.00 25.22 ATOM 1601 HD2 TYR 102 19.641 -38.090 30.507 1.00 74.54 ATOM 1602 CE1 TYR 102 19.006 -34.709 32.209 1.00 53.14 ATOM 1603 HE1 TYR 102 18.827 -33.754 32.684 1.00 21.35 ATOM 1604 CE2 TYR 102 20.077 -36.846 32.189 1.00 33.10 ATOM 1605 HE2 TYR 102 20.735 -37.569 32.648 1.00 74.32 ATOM 1606 CZ TYR 102 19.846 -35.630 32.794 1.00 23.04 ATOM 1607 OH TYR 102 20.448 -35.333 33.997 1.00 21.23 ATOM 1608 HH TYR 102 21.371 -35.614 33.976 1.00 12.01 ATOM 1609 C TYR 102 19.752 -35.572 27.613 1.00 34.21 ATOM 1610 O TYR 102 20.548 -34.812 28.167 1.00 24.01 ATOM 1611 N GLN 103 20.135 -36.487 26.724 1.00 61.25 ATOM 1612 HN GLN 103 19.458 -37.080 26.334 1.00 38.48 ATOM 1613 CA GLN 103 21.541 -36.636 26.312 1.00 13.12 ATOM 1614 HA GLN 103 22.164 -36.276 27.119 1.00 21.32 ATOM 1615 CB GLN 103 21.867 -38.118 26.060 1.00 4.22 ATOM 1616 HB1 GLN 103 22.905 -38.200 25.772 1.00 38.48 ATOM 1617 HB2 GLN 103 21.251 -38.476 25.246 1.00 12.23 ATOM 1618 CG GLN 103 21.635 -39.028 27.266 1.00 54.50 ATOM 1619 HG1 GLN 103 21.817 -40.052 26.968 1.00 38.48 ATOM 1620 HG2 GLN 103 20.606 -38.929 27.584 1.00 42.12 ATOM 1621 CD GLN 103 22.537 -38.696 28.444 1.00 52.24 ATOM 1622 OE1 GLN 103 23.645 -39.212 28.559 1.00 52.34 ATOM 1623 NE2 GLN 103 22.078 -37.834 29.329 1.00 72.02 ATOM 1624 HE21 GLN 103 21.192 -37.452 29.187 1.00 2.42 ATOM 1625 HE22 GLN 103 22.646 -37.621 30.102 1.00 1.34 ATOM 1626 C GLN 103 21.853 -35.814 25.048 1.00 13.00 ATOM 1627 O GLN 103 23.018 -35.588 24.716 1.00 2.31 ATOM 1628 N GLY 104 20.809 -35.377 24.344 1.00 50.35 ATOM 1629 HN GLY 104 19.903 -35.577 24.661 1.00 38.48 ATOM 1630 CA GLY 104 20.989 -34.596 23.123 1.00 53.53 ATOM 1631 HA1 GLY 104 21.711 -33.814 23.313 1.00 38.48 ATOM 1632 HA2 GLY 104 20.045 -34.138 22.869 1.00 62.24 ATOM 1633 C GLY 104 21.461 -35.431 21.933 1.00 31.21 ATOM 1634 O GLY 104 22.324 -34.998 21.166 1.00 22.41 ATOM 1635 N GLN 105 20.892 -36.627 21.772 1.00 51.43 ATOM 1636 HN GLN 105 20.196 -36.908 22.402 1.00 38.48 ATOM 1637 CA GLN 105 21.275 -37.532 20.678 1.00 64.22 ATOM 1638 HA GLN 105 22.337 -37.411 20.508 1.00 71.53 ATOM 1639 CB GLN 105 21.004 -38.995 21.069 1.00 12.41 ATOM 1640 HB1 GLN 105 21.314 -39.637 20.256 1.00 38.48 ATOM 1641 HB2 GLN 105 19.943 -39.122 21.226 1.00 22.01 ATOM 1642 CG GLN 105 21.732 -39.446 22.334 1.00 55.13 ATOM 1643 HG1 GLN 105 21.478 -40.479 22.534 1.00 38.48 ATOM 1644 HG2 GLN 105 21.404 -38.833 23.160 1.00 71.34 ATOM 1645 CD GLN 105 23.243 -39.332 22.222 1.00 60.12 ATOM 1646 OE1 GLN 105 23.829 -38.308 22.556 1.00 10.34 ATOM 1647 NE2 GLN 105 23.884 -40.377 21.745 1.00 61.41 ATOM 1648 HE21 GLN 105 23.364 -41.167 21.488 1.00 12.31 ATOM 1649 HE22 GLN 105 24.859 -40.321 21.666 1.00 14.11 ATOM 1650 C GLN 105 20.532 -37.183 19.379 1.00 72.01 ATOM 1651 O GLN 105 21.100 -36.566 18.474 1.00 54.23 ATOM 1652 N ASN 106 19.265 -37.582 19.286 1.00 62.23 ATOM 1653 HN ASN 106 18.875 -38.112 20.016 1.00 38.48 ATOM 1654 CA ASN 106 18.438 -37.274 18.112 1.00 45.11 ATOM 1655 HA ASN 106 19.080 -36.829 17.362 1.00 5.25 ATOM 1656 CB ASN 106 17.836 -38.563 17.540 1.00 40.02 ATOM 1657 HB1 ASN 106 17.175 -38.317 16.722 1.00 38.48 ATOM 1658 HB2 ASN 106 17.272 -39.063 18.315 1.00 44.10 ATOM 1659 CG ASN 106 18.905 -39.515 17.031 1.00 33.23 ATOM 1660 OD1 ASN 106 19.310 -39.454 15.875 1.00 71.22 ATOM 1661 ND2 ASN 106 19.364 -40.411 17.881 1.00 43.15 ATOM 1662 HD21 ASN 106 18.994 -40.423 18.789 1.00 51.23 ATOM 1663 HD22 ASN 106 20.059 -41.027 17.571 1.00 24.04 ATOM 1664 C ASN 106 17.325 -36.271 18.459 1.00 72.15 ATOM 1665 O ASN 106 16.269 -36.647 18.970 1.00 11.22 ATOM 1666 N PHE 107 17.571 -34.989 18.181 1.00 73.22 ATOM 1667 HN PHE 107 18.423 -34.747 17.758 1.00 38.48 ATOM 1668 CA PHE 107 16.598 -33.934 18.486 1.00 52.12 ATOM 1669 HA PHE 107 16.214 -34.123 19.479 1.00 1.42 ATOM 1670 CB PHE 107 17.279 -32.556 18.475 1.00 51.30 ATOM 1671 HB1 PHE 107 17.680 -32.367 17.488 1.00 38.48 ATOM 1672 HB2 PHE 107 18.091 -32.561 19.189 1.00 14.51 ATOM 1673 CG PHE 107 16.350 -31.417 18.834 1.00 51.32 ATOM 1674 CD1 PHE 107 15.951 -31.218 20.149 1.00 65.23 ATOM 1675 HD1 PHE 107 16.316 -31.881 20.921 1.00 42.24 ATOM 1676 CD2 PHE 107 15.872 -30.552 17.857 1.00 53.34 ATOM 1677 HD2 PHE 107 16.174 -30.693 16.829 1.00 24.24 ATOM 1678 CE1 PHE 107 15.094 -30.184 20.480 1.00 74.22 ATOM 1679 HE1 PHE 107 14.791 -30.042 21.508 1.00 74.20 ATOM 1680 CE2 PHE 107 15.017 -29.517 18.186 1.00 34.51 ATOM 1681 HE2 PHE 107 14.652 -28.853 17.417 1.00 43.03 ATOM 1682 CZ PHE 107 14.628 -29.334 19.498 1.00 62.44 ATOM 1683 HZ PHE 107 13.957 -28.526 19.756 1.00 13.20 ATOM 1684 C PHE 107 15.421 -33.955 17.496 1.00 62.41 ATOM 1685 O PHE 107 14.313 -33.528 17.828 1.00 24.31 ATOM 1686 N ASN 108 15.669 -34.461 16.286 1.00 64.04 ATOM 1687 HN ASN 108 16.583 -34.748 16.074 1.00 38.48 ATOM 1688 CA ASN 108 14.628 -34.584 15.255 1.00 61.20 ATOM 1689 HA ASN 108 14.362 -33.582 14.948 1.00 42.15 ATOM 1690 CB ASN 108 15.177 -35.339 14.031 1.00 12.11 ATOM 1691 HB1 ASN 108 15.891 -34.705 13.521 1.00 38.48 ATOM 1692 HB2 ASN 108 14.362 -35.560 13.357 1.00 4.23 ATOM 1693 CG ASN 108 15.867 -36.649 14.388 1.00 20.04 ATOM 1694 OD1 ASN 108 15.505 -37.328 15.342 1.00 72.44 ATOM 1695 ND2 ASN 108 16.876 -37.016 13.627 1.00 24.22 ATOM 1696 HD21 ASN 108 17.128 -36.436 12.876 1.00 52.43 ATOM 1697 HD22 ASN 108 17.335 -37.852 13.845 1.00 10.10 ATOM 1698 C ASN 108 13.362 -35.271 15.799 1.00 64.42 ATOM 1699 O ASN 108 12.243 -34.913 15.422 1.00 73.32 ATOM 1700 N LYS 109 13.553 -36.248 16.688 1.00 61.05 ATOM 1701 HN LYS 109 14.469 -36.554 16.863 1.00 38.48 ATOM 1702 CA LYS 109 12.442 -36.893 17.396 1.00 61.32 ATOM 1703 HA LYS 109 11.802 -37.367 16.667 1.00 51.01 ATOM 1704 CB LYS 109 12.976 -37.951 18.370 1.00 23.13 ATOM 1705 HB1 LYS 109 12.144 -38.339 18.944 1.00 38.48 ATOM 1706 HB2 LYS 109 13.669 -37.475 19.049 1.00 21.43 ATOM 1707 CG LYS 109 13.691 -39.131 17.726 1.00 42.44 ATOM 1708 HG1 LYS 109 14.538 -38.766 17.161 1.00 38.48 ATOM 1709 HG2 LYS 109 13.006 -39.645 17.065 1.00 42.55 ATOM 1710 CD LYS 109 14.189 -40.102 18.797 1.00 52.34 ATOM 1711 HD1 LYS 109 13.383 -40.292 19.495 1.00 38.48 ATOM 1712 HD2 LYS 109 15.016 -39.648 19.323 1.00 74.24 ATOM 1713 CE LYS 109 14.652 -41.429 18.212 1.00 12.12 ATOM 1714 HE1 LYS 109 15.329 -41.237 17.393 1.00 38.48 ATOM 1715 HE2 LYS 109 13.784 -41.963 17.849 1.00 31.44 ATOM 1716 NZ LYS 109 15.342 -42.271 19.229 1.00 31.42 ATOM 1717 HZ1 LYS 109 14.666 -42.586 19.954 1.00 71.11 ATOM 1718 HZ2 LYS 109 16.098 -41.727 19.694 1.00 41.34 ATOM 1719 HZ3 LYS 109 15.767 -43.108 18.779 1.00 1.31 ATOM 1720 C LYS 109 11.628 -35.863 18.196 1.00 41.20 ATOM 1721 O LYS 109 10.425 -35.688 17.982 1.00 2.44 ATOM 1722 N VAL 110 12.310 -35.189 19.123 1.00 44.54 ATOM 1723 HN VAL 110 13.273 -35.354 19.210 1.00 38.48 ATOM 1724 CA VAL 110 11.679 -34.207 20.009 1.00 52.13 ATOM 1725 HA VAL 110 10.958 -34.726 20.624 1.00 65.03 ATOM 1726 CB VAL 110 12.724 -33.539 20.940 1.00 21.23 ATOM 1727 HB VAL 110 13.374 -32.924 20.329 1.00 51.11 ATOM 1728 CG1 VAL 110 12.046 -32.628 21.966 1.00 53.11 ATOM 1729 HG11 VAL 110 12.794 -32.195 22.616 1.00 23.13 ATOM 1730 HG12 VAL 110 11.347 -33.203 22.558 1.00 53.04 ATOM 1731 HG13 VAL 110 11.516 -31.837 21.453 1.00 42.54 ATOM 1732 CG2 VAL 110 13.587 -34.597 21.629 1.00 34.43 ATOM 1733 HG21 VAL 110 12.962 -35.236 22.236 1.00 45.41 ATOM 1734 HG22 VAL 110 14.321 -34.112 22.257 1.00 35.33 ATOM 1735 HG23 VAL 110 14.093 -35.193 20.882 1.00 40.30 ATOM 1736 C VAL 110 10.960 -33.120 19.207 1.00 22.23 ATOM 1737 O VAL 110 9.779 -32.851 19.421 1.00 73.33 ATOM 1738 N LEU 111 11.682 -32.518 18.268 1.00 11.42 ATOM 1739 HN LEU 111 12.609 -32.807 18.126 1.00 38.48 ATOM 1740 CA LEU 111 11.142 -31.441 17.440 1.00 63.32 ATOM 1741 HA LEU 111 10.865 -30.629 18.098 1.00 4.45 ATOM 1742 CB LEU 111 12.223 -30.942 16.470 1.00 12.55 ATOM 1743 HB1 LEU 111 12.431 -31.731 15.760 1.00 38.48 ATOM 1744 HB2 LEU 111 13.124 -30.751 17.039 1.00 12.42 ATOM 1745 CG LEU 111 11.869 -29.671 15.685 1.00 23.54 ATOM 1746 HG LEU 111 11.011 -29.870 15.060 1.00 14.43 ATOM 1747 CD1 LEU 111 11.499 -28.535 16.637 1.00 2.31 ATOM 1748 HD11 LEU 111 10.650 -28.829 17.239 1.00 33.24 ATOM 1749 HD12 LEU 111 11.244 -27.655 16.064 1.00 4.23 ATOM 1750 HD13 LEU 111 12.338 -28.314 17.282 1.00 45.45 ATOM 1751 CD2 LEU 111 13.028 -29.264 14.777 1.00 51.35 ATOM 1752 HD21 LEU 111 13.218 -30.052 14.060 1.00 72.42 ATOM 1753 HD22 LEU 111 13.915 -29.099 15.371 1.00 51.25 ATOM 1754 HD23 LEU 111 12.772 -28.356 14.251 1.00 61.21 ATOM 1755 C LEU 111 9.891 -31.896 16.667 1.00 11.32 ATOM 1756 O LEU 111 8.887 -31.184 16.619 1.00 22.14 ATOM 1757 N SER 112 9.952 -33.095 16.084 1.00 50.32 ATOM 1758 HN SER 112 10.777 -33.623 16.164 1.00 38.48 ATOM 1759 CA SER 112 8.814 -33.651 15.331 1.00 63.32 ATOM 1760 HA SER 112 8.568 -32.953 14.542 1.00 43.13 ATOM 1761 CB SER 112 9.185 -35.001 14.700 1.00 34.33 ATOM 1762 HB1 SER 112 9.445 -35.703 15.480 1.00 38.48 ATOM 1763 HB2 SER 112 10.031 -34.867 14.042 1.00 74.20 ATOM 1764 OG SER 112 8.104 -35.536 13.947 1.00 55.32 ATOM 1765 HG SER 112 7.976 -36.466 14.187 1.00 2.02 ATOM 1766 C SER 112 7.584 -33.830 16.231 1.00 70.13 ATOM 1767 O SER 112 6.453 -33.530 15.833 1.00 21.24 ATOM 1768 N SER 113 7.814 -34.322 17.448 1.00 41.22 ATOM 1769 HN SER 113 8.732 -34.572 17.694 1.00 38.48 ATOM 1770 CA SER 113 6.736 -34.507 18.431 1.00 41.23 ATOM 1771 HA SER 113 5.957 -35.090 17.960 1.00 31.55 ATOM 1772 CB SER 113 7.254 -35.272 19.657 1.00 43.31 ATOM 1773 HB1 SER 113 7.990 -34.670 20.172 1.00 38.48 ATOM 1774 HB2 SER 113 7.710 -36.197 19.336 1.00 11.14 ATOM 1775 OG SER 113 6.203 -35.577 20.561 1.00 22.23 ATOM 1776 HG SER 113 5.736 -36.365 20.256 1.00 12.50 ATOM 1777 C SER 113 6.144 -33.155 18.866 1.00 63.21 ATOM 1778 O SER 113 4.927 -33.008 18.971 1.00 75.42 ATOM 1779 N LEU 114 7.015 -32.170 19.099 1.00 53.01 ATOM 1780 HN LEU 114 7.973 -32.358 19.024 1.00 38.48 ATOM 1781 CA LEU 114 6.585 -30.812 19.470 1.00 15.35 ATOM 1782 HA LEU 114 6.006 -30.886 20.380 1.00 51.23 ATOM 1783 CB LEU 114 7.809 -29.922 19.733 1.00 54.42 ATOM 1784 HB1 LEU 114 7.465 -28.913 19.913 1.00 38.48 ATOM 1785 HB2 LEU 114 8.421 -29.919 18.840 1.00 21.34 ATOM 1786 CG LEU 114 8.691 -30.346 20.920 1.00 52.53 ATOM 1787 HG LEU 114 9.026 -31.362 20.764 1.00 50.40 ATOM 1788 CD1 LEU 114 9.928 -29.459 21.012 1.00 52.35 ATOM 1789 HD11 LEU 114 9.627 -28.433 21.166 1.00 73.14 ATOM 1790 HD12 LEU 114 10.493 -29.534 20.095 1.00 3.32 ATOM 1791 HD13 LEU 114 10.544 -29.781 21.840 1.00 52.11 ATOM 1792 CD2 LEU 114 7.896 -30.307 22.226 1.00 21.53 ATOM 1793 HD21 LEU 114 7.049 -30.975 22.154 1.00 72.40 ATOM 1794 HD22 LEU 114 7.545 -29.301 22.407 1.00 12.43 ATOM 1795 HD23 LEU 114 8.530 -30.619 23.044 1.00 22.41 ATOM 1796 C LEU 114 5.704 -30.181 18.377 1.00 41.15 ATOM 1797 O LEU 114 4.641 -29.626 18.663 1.00 52.44 ATOM 1798 N VAL 115 6.153 -30.271 17.124 1.00 32.31 ATOM 1799 HN VAL 115 7.023 -30.693 16.960 1.00 38.48 ATOM 1800 CA VAL 115 5.384 -29.753 15.985 1.00 55.50 ATOM 1801 HA VAL 115 5.257 -28.688 16.131 1.00 30.01 ATOM 1802 CB VAL 115 6.142 -29.966 14.647 1.00 51.53 ATOM 1803 HB VAL 115 6.337 -31.025 14.530 1.00 44.21 ATOM 1804 CG1 VAL 115 5.303 -29.499 13.457 1.00 51.41 ATOM 1805 HG11 VAL 115 5.854 -29.663 12.540 1.00 64.12 ATOM 1806 HG12 VAL 115 5.085 -28.446 13.560 1.00 13.14 ATOM 1807 HG13 VAL 115 4.378 -30.057 13.423 1.00 65.24 ATOM 1808 CG2 VAL 115 7.483 -29.233 14.675 1.00 63.41 ATOM 1809 HG21 VAL 115 8.027 -29.435 13.764 1.00 74.14 ATOM 1810 HG22 VAL 115 8.064 -29.571 15.521 1.00 45.44 ATOM 1811 HG23 VAL 115 7.311 -28.170 14.763 1.00 50.11 ATOM 1812 C VAL 115 3.995 -30.407 15.910 1.00 2.32 ATOM 1813 O VAL 115 2.983 -29.721 15.775 1.00 12.51 ATOM 1814 N THR 116 3.949 -31.734 16.015 1.00 23.33 ATOM 1815 HN THR 116 4.791 -32.238 16.067 1.00 38.48 ATOM 1816 CA THR 116 2.671 -32.463 16.049 1.00 44.41 ATOM 1817 HA THR 116 2.134 -32.231 15.138 1.00 1.40 ATOM 1818 CB THR 116 2.885 -33.995 16.112 1.00 63.41 ATOM 1819 HB THR 116 3.442 -34.230 17.009 1.00 52.42 ATOM 1820 OG1 THR 116 3.642 -34.431 14.970 1.00 72.22 ATOM 1821 HG1 THR 116 4.426 -34.905 15.270 1.00 12.21 ATOM 1822 CG2 THR 116 1.548 -34.740 16.158 1.00 21.44 ATOM 1823 HG21 THR 116 0.992 -34.435 17.037 1.00 4.54 ATOM 1824 HG22 THR 116 1.728 -35.805 16.201 1.00 21.02 ATOM 1825 HG23 THR 116 0.974 -34.508 15.272 1.00 12.15 ATOM 1826 C THR 116 1.819 -32.029 17.252 1.00 13.11 ATOM 1827 O THR 116 0.606 -31.859 17.139 1.00 74.42 ATOM 1828 N LEU 117 2.470 -31.842 18.399 1.00 31.20 ATOM 1829 HN LEU 117 3.434 -32.022 18.431 1.00 38.48 ATOM 1830 CA LEU 117 1.796 -31.377 19.617 1.00 23.42 ATOM 1831 HA LEU 117 1.010 -32.083 19.851 1.00 23.32 ATOM 1832 CB LEU 117 2.797 -31.343 20.780 1.00 75.40 ATOM 1833 HB1 LEU 117 3.568 -30.623 20.540 1.00 38.48 ATOM 1834 HB2 LEU 117 3.257 -32.319 20.857 1.00 12.10 ATOM 1835 CG LEU 117 2.210 -30.977 22.152 1.00 64.20 ATOM 1836 HG LEU 117 1.730 -30.012 22.082 1.00 61.45 ATOM 1837 CD1 LEU 117 1.155 -31.990 22.582 1.00 72.33 ATOM 1838 HD11 LEU 117 1.597 -32.975 22.642 1.00 15.31 ATOM 1839 HD12 LEU 117 0.349 -32.001 21.862 1.00 72.02 ATOM 1840 HD13 LEU 117 0.764 -31.714 23.551 1.00 42.11 ATOM 1841 CD2 LEU 117 3.316 -30.873 23.198 1.00 55.11 ATOM 1842 HD21 LEU 117 3.822 -31.823 23.286 1.00 24.03 ATOM 1843 HD22 LEU 117 2.886 -30.605 24.153 1.00 13.34 ATOM 1844 HD23 LEU 117 4.025 -30.114 22.899 1.00 21.33 ATOM 1845 C LEU 117 1.165 -29.987 19.404 1.00 44.02 ATOM 1846 O LEU 117 0.106 -29.673 19.958 1.00 43.41 ATOM 1847 N ASN 118 1.824 -29.162 18.594 1.00 12.13 ATOM 1848 HN ASN 118 2.706 -29.432 18.258 1.00 38.48 ATOM 1849 CA ASN 118 1.279 -27.859 18.200 1.00 34.31 ATOM 1850 HA ASN 118 0.910 -27.372 19.092 1.00 14.41 ATOM 1851 CB ASN 118 2.386 -26.987 17.583 1.00 51.12 ATOM 1852 HB1 ASN 118 2.837 -27.522 16.759 1.00 38.48 ATOM 1853 HB2 ASN 118 3.140 -26.790 18.331 1.00 53.02 ATOM 1854 CG ASN 118 1.868 -25.654 17.064 1.00 13.10 ATOM 1855 OD1 ASN 118 1.518 -25.522 15.896 1.00 2.20 ATOM 1856 ND2 ASN 118 1.811 -24.655 17.925 1.00 74.11 ATOM 1857 HD21 ASN 118 2.101 -24.817 18.844 1.00 44.13 ATOM 1858 HD22 ASN 118 1.476 -23.792 17.604 1.00 71.20 ATOM 1859 C ASN 118 0.112 -28.027 17.213 1.00 62.54 ATOM 1860 O ASN 118 -0.882 -27.313 17.291 1.00 21.44 ATOM 1861 N LYS 119 0.232 -28.994 16.302 1.00 73.35 ATOM 1862 HN LYS 119 1.042 -29.549 16.305 1.00 38.48 ATOM 1863 CA LYS 119 -0.804 -29.245 15.288 1.00 10.14 ATOM 1864 HA LYS 119 -1.020 -28.300 14.806 1.00 21.21 ATOM 1865 CB LYS 119 -0.284 -30.224 14.226 1.00 64.35 ATOM 1866 HB1 LYS 119 -1.080 -30.437 13.525 1.00 38.48 ATOM 1867 HB2 LYS 119 0.011 -31.145 14.712 1.00 12.32 ATOM 1868 CG LYS 119 0.913 -29.691 13.441 1.00 55.30 ATOM 1869 HG1 LYS 119 1.721 -29.493 14.132 1.00 38.48 ATOM 1870 HG2 LYS 119 0.627 -28.770 12.953 1.00 12.23 ATOM 1871 CD LYS 119 1.399 -30.680 12.383 1.00 60.22 ATOM 1872 HD1 LYS 119 1.653 -31.615 12.866 1.00 38.48 ATOM 1873 HD2 LYS 119 2.278 -30.274 11.903 1.00 40.22 ATOM 1874 CE LYS 119 0.336 -30.944 11.320 1.00 62.24 ATOM 1875 HE1 LYS 119 -0.518 -31.414 11.789 1.00 38.48 ATOM 1876 HE2 LYS 119 0.746 -31.608 10.573 1.00 31.20 ATOM 1877 NZ LYS 119 -0.106 -29.689 10.656 1.00 71.13 ATOM 1878 HZ1 LYS 119 -0.790 -29.900 9.906 1.00 70.31 ATOM 1879 HZ2 LYS 119 0.708 -29.198 10.237 1.00 43.41 ATOM 1880 HZ3 LYS 119 -0.554 -29.056 11.349 1.00 25.41 ATOM 1881 C LYS 119 -2.108 -29.780 15.911 1.00 71.24 ATOM 1882 O LYS 119 -3.199 -29.309 15.585 1.00 53.50 ATOM 1883 N VAL 120 -1.994 -30.764 16.806 1.00 64.44 ATOM 1884 HN VAL 120 -1.103 -31.115 17.018 1.00 38.48 ATOM 1885 CA VAL 120 -3.174 -31.340 17.473 1.00 54.12 ATOM 1886 HA VAL 120 -3.838 -31.701 16.698 1.00 5.04 ATOM 1887 CB VAL 120 -2.795 -32.545 18.377 1.00 24.21 ATOM 1888 HB VAL 120 -3.696 -32.899 18.864 1.00 21.51 ATOM 1889 CG1 VAL 120 -2.230 -33.692 17.542 1.00 51.04 ATOM 1890 HG11 VAL 120 -1.369 -33.345 16.987 1.00 20.52 ATOM 1891 HG12 VAL 120 -2.984 -34.042 16.852 1.00 70.23 ATOM 1892 HG13 VAL 120 -1.935 -34.502 18.192 1.00 3.30 ATOM 1893 CG2 VAL 120 -1.802 -32.132 19.462 1.00 15.45 ATOM 1894 HG21 VAL 120 -2.259 -31.398 20.110 1.00 71.10 ATOM 1895 HG22 VAL 120 -0.921 -31.706 19.002 1.00 11.31 ATOM 1896 HG23 VAL 120 -1.518 -32.999 20.044 1.00 72.02 ATOM 1897 C VAL 120 -3.931 -30.290 18.307 1.00 24.42 ATOM 1898 O VAL 120 -5.156 -30.333 18.414 1.00 4.05 ATOM 1899 N THR 121 -3.198 -29.342 18.887 1.00 14.25 ATOM 1900 HN THR 121 -2.222 -29.371 18.794 1.00 38.48 ATOM 1901 CA THR 121 -3.810 -28.258 19.665 1.00 4.42 ATOM 1902 HA THR 121 -4.679 -28.662 20.167 1.00 52.21 ATOM 1903 CB THR 121 -2.841 -27.720 20.742 1.00 71.51 ATOM 1904 HB THR 121 -3.310 -26.884 21.243 1.00 14.40 ATOM 1905 OG1 THR 121 -1.620 -27.275 20.131 1.00 73.42 ATOM 1906 HG1 THR 121 -0.917 -27.910 20.315 1.00 30.00 ATOM 1907 CG2 THR 121 -2.532 -28.797 21.779 1.00 53.25 ATOM 1908 HG21 THR 121 -3.451 -29.131 22.238 1.00 73.32 ATOM 1909 HG22 THR 121 -1.880 -28.390 22.539 1.00 73.42 ATOM 1910 HG23 THR 121 -2.044 -29.634 21.299 1.00 1.32 ATOM 1911 C THR 121 -4.265 -27.104 18.759 1.00 13.35 ATOM 1912 O THR 121 -5.246 -26.420 19.053 1.00 33.20 ATOM 1913 N ALA 122 -3.555 -26.898 17.650 1.00 15.22 ATOM 1914 HN ALA 122 -2.730 -27.408 17.514 1.00 38.48 ATOM 1915 CA ALA 122 -3.962 -25.914 16.637 1.00 65.01 ATOM 1916 HA ALA 122 -4.066 -24.956 17.127 1.00 52.24 ATOM 1917 CB ALA 122 -2.892 -25.782 15.559 1.00 61.10 ATOM 1918 HB1 ALA 122 -2.718 -26.746 15.100 1.00 0.01 ATOM 1919 HB2 ALA 122 -1.974 -25.426 16.004 1.00 32.13 ATOM 1920 HB3 ALA 122 -3.221 -25.081 14.806 1.00 13.42 ATOM 1921 C ALA 122 -5.308 -26.299 16.007 1.00 71.04 ATOM 1922 O ALA 122 -6.087 -25.435 15.603 1.00 73.32 ATOM 1923 N ASP 123 -5.563 -27.604 15.923 1.00 73.22 ATOM 1924 HN ASP 123 -4.853 -28.239 16.157 1.00 38.48 ATOM 1925 CA ASP 123 -6.861 -28.124 15.479 1.00 32.22 ATOM 1926 HA ASP 123 -7.056 -27.739 14.487 1.00 64.21 ATOM 1927 CB ASP 123 -6.803 -29.656 15.425 1.00 24.20 ATOM 1928 HB1 ASP 123 -6.582 -30.035 16.413 1.00 38.48 ATOM 1929 HB2 ASP 123 -6.014 -29.955 14.749 1.00 62.31 ATOM 1930 CG ASP 123 -8.103 -30.280 14.948 1.00 15.15 ATOM 1931 OD1 ASP 123 -8.855 -30.826 15.786 1.00 42.32 ATOM 1932 OD2 ASP 123 -8.379 -30.229 13.731 1.00 21.34 ATOM 1933 C ASP 123 -7.980 -27.663 16.431 1.00 1.22 ATOM 1934 O ASP 123 -9.089 -27.329 16.005 1.00 43.41 ATOM 1935 N ILE 124 -7.667 -27.650 17.725 1.00 73.44 ATOM 1936 HN ILE 124 -6.786 -27.981 17.998 1.00 38.48 ATOM 1937 CA ILE 124 -8.595 -27.167 18.753 1.00 22.23 ATOM 1938 HA ILE 124 -9.569 -27.592 18.555 1.00 23.31 ATOM 1939 CB ILE 124 -8.139 -27.617 20.165 1.00 71.50 ATOM 1940 HB ILE 124 -7.194 -27.138 20.381 1.00 13.04 ATOM 1941 CG1 ILE 124 -7.942 -29.143 20.200 1.00 3.40 ATOM 1942 HG11 ILE 124 -7.239 -29.423 19.427 1.00 38.48 ATOM 1943 HG12 ILE 124 -8.888 -29.629 20.009 1.00 2.01 ATOM 1944 CG2 ILE 124 -9.144 -27.177 21.233 1.00 62.30 ATOM 1945 HG21 ILE 124 -8.807 -27.507 22.206 1.00 23.35 ATOM 1946 HG22 ILE 124 -10.111 -27.611 21.023 1.00 23.21 ATOM 1947 HG23 ILE 124 -9.227 -26.099 21.230 1.00 74.15 ATOM 1948 CD1 ILE 124 -7.410 -29.665 21.520 1.00 51.43 ATOM 1949 HD11 ILE 124 -7.296 -30.737 21.462 1.00 44.31 ATOM 1950 HD12 ILE 124 -8.102 -29.420 22.313 1.00 73.41 ATOM 1951 HD13 ILE 124 -6.450 -29.213 21.727 1.00 31.34 ATOM 1952 C ILE 124 -8.700 -25.632 18.723 1.00 51.22 ATOM 1953 O ILE 124 -9.752 -25.063 19.017 1.00 40.42 ATOM 1954 N GLY 125 -7.596 -24.973 18.375 1.00 35.31 ATOM 1955 HN GLY 125 -6.785 -25.483 18.166 1.00 38.48 ATOM 1956 CA GLY 125 -7.570 -23.516 18.296 1.00 52.22 ATOM 1957 HA1 GLY 125 -8.555 -23.161 18.023 1.00 38.48 ATOM 1958 HA2 GLY 125 -6.872 -23.224 17.524 1.00 11.50 ATOM 1959 C GLY 125 -7.155 -22.858 19.610 1.00 11.44 ATOM 1960 O GLY 125 -7.993 -22.618 20.482 1.00 75.12 ATOM 1961 N LEU 126 -5.861 -22.569 19.753 1.00 33.32 ATOM 1962 HN LEU 126 -5.245 -22.784 19.022 1.00 38.48 ATOM 1963 HA LEU 126 -5.861 -22.348 21.814 1.00 64.12 ATOM 1964 CB LEU 126 -3.832 -22.268 21.128 1.00 62.12 ATOM 1965 HB1 LEU 126 -3.465 -21.767 22.013 1.00 38.48 ATOM 1966 HB2 LEU 126 -3.304 -21.873 20.269 1.00 34.51 ATOM 1967 CG LEU 126 -3.497 -23.766 21.252 1.00 75.30 ATOM 1968 HG LEU 126 -3.809 -24.272 20.348 1.00 72.10 ATOM 1969 CD1 LEU 126 -1.992 -23.971 21.401 1.00 73.21 ATOM 1970 HD11 LEU 126 -1.639 -23.443 22.277 1.00 12.23 ATOM 1971 HD12 LEU 126 -1.487 -23.590 20.525 1.00 5.44 ATOM 1972 HD13 LEU 126 -1.779 -25.025 21.508 1.00 25.21 ATOM 1973 CD2 LEU 126 -4.250 -24.394 22.425 1.00 13.20 ATOM 1974 HD21 LEU 126 -3.995 -25.441 22.497 1.00 2.33 ATOM 1975 HD22 LEU 126 -5.314 -24.295 22.266 1.00 2.31 ATOM 1976 HD23 LEU 126 -3.975 -23.893 23.342 1.00 30.34 ATOM 1977 CA LEU 126 -5.325 -21.935 20.969 1.00 45.41 ATOM 1978 C LEU 126 -5.530 -20.405 20.957 1.00 21.32 ATOM 1979 OT1 LEU 126 -4.775 -19.700 20.246 1.00 38.48 ATOM 1980 OT2 LEU 126 -6.441 -19.916 21.664 1.00 38.48 ATOM 1981 OH2 TIP3 1 -6.880 -46.179 18.077 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -6.263 -45.415 18.141 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -7.339 -46.044 17.215 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -7.689 -47.024 21.893 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.816 -46.568 21.811 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -8.314 -46.306 22.123 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -9.725 -45.296 22.569 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -9.121 -44.639 22.992 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -10.345 -44.757 22.069 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.196 -50.586 20.312 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -8.919 -51.146 20.013 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.405 -49.697 19.931 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 0.580 -50.837 24.856 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 0.254 -50.944 23.934 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 0.443 -51.726 25.260 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -8.035 -45.645 15.694 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -8.488 -45.813 14.866 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -7.950 -44.665 15.730 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.185 -38.846 23.466 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.386 -39.663 22.948 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -7.209 -38.771 23.415 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.653 -44.878 19.154 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -0.724 -45.169 19.042 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.871 -44.437 18.304 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -3.847 -44.500 25.587 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -4.350 -45.332 25.614 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -3.772 -44.239 26.531 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.813 -47.865 18.508 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -5.689 -47.438 18.371 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.179 -47.183 18.251 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -5.211 -48.930 24.369 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -5.400 -48.409 25.165 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -6.090 -49.242 24.068 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -8.133 -41.046 21.829 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.434 -40.628 21.278 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -7.856 -41.967 21.906 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -5.485 -50.078 20.104 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -5.439 -49.245 19.589 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -6.447 -50.232 20.229 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.256 -40.575 17.572 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.826 -40.409 18.331 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.210 -39.705 17.111 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.415 -39.089 16.508 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.280 -39.139 15.553 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -6.320 -38.711 16.604 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -7.847 -43.792 23.811 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -7.480 -42.996 24.247 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -7.666 -44.513 24.449 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.972 -38.037 16.508 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.318 -37.282 17.048 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -8.005 -37.700 15.583 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.733 -41.680 17.648 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.639 -41.342 17.813 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -5.250 -40.903 17.314 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -6.092 -39.572 20.818 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.781 -39.194 21.662 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -5.440 -39.276 20.170 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.376 -48.041 19.457 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -8.221 -47.630 20.334 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.008 -47.392 18.824 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -9.489 -47.206 24.596 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -9.738 -46.642 23.838 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.247 -48.050 24.196 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -7.726 -45.644 25.921 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -8.444 -46.236 25.593 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -8.059 -45.317 26.784 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -2.939 -49.823 18.042 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -3.299 -50.685 18.332 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -3.679 -49.194 18.189 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -1.938 -45.139 30.079 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -2.288 -46.002 30.339 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -1.280 -45.348 29.381 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -1.623 -41.117 16.466 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -1.240 -40.377 15.956 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -1.141 -41.096 17.318 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -5.163 -46.147 21.358 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -4.772 -45.805 20.546 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.602 -46.914 21.592 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.848 -39.631 26.198 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -8.158 -39.201 25.380 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.412 -40.454 25.882 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -5.303 -46.803 26.508 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.386 -46.644 27.474 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -6.156 -46.478 26.142 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -2.878 -38.110 11.472 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -2.164 -38.679 11.808 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -3.146 -37.579 12.250 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -7.657 -42.965 15.999 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -6.763 -42.747 16.310 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -8.214 -42.267 16.379 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -7.490 -49.518 22.914 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -7.534 -48.609 22.544 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -7.740 -50.089 22.168 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -8.162 -44.507 28.414 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.850 -44.410 29.081 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.871 -43.581 28.232 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -3.858 -44.168 28.287 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -3.179 -44.349 28.963 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -4.597 -44.761 28.528 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -3.374 -45.754 33.237 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -3.683 -46.080 34.089 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -3.189 -44.799 33.398 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -4.913 -44.258 18.123 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -4.025 -44.169 17.727 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -5.272 -43.345 18.103 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -0.815 -49.854 16.286 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -0.900 -50.485 15.568 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -1.669 -49.914 16.764 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 0.667 -46.272 19.596 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 0.334 -47.129 19.247 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 1.620 -46.403 19.677 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -5.524 -45.071 31.612 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.697 -44.244 32.102 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -4.766 -45.471 32.081 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.249 -48.910 25.598 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -0.640 -49.676 25.615 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -1.526 -48.849 24.657 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -0.419 -48.590 18.655 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -1.320 -48.945 18.780 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -0.186 -48.859 17.739 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -1.420 -48.646 22.892 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -1.086 -49.532 22.627 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -2.321 -48.602 22.497 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.982 -48.633 21.972 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -4.374 -48.745 22.874 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.467 -49.279 21.420 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -7.442 -41.904 28.119 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -7.833 -41.048 27.882 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -6.994 -41.734 28.982 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.143 -38.387 28.608 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.941 -37.844 28.746 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.272 -38.773 27.719 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -6.565 -41.896 25.380 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -6.611 -42.208 26.303 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -5.603 -41.862 25.185 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -3.860 -40.572 42.620 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -3.585 -39.715 42.234 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -3.749 -41.206 41.892 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -2.481 -42.039 40.266 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -1.768 -42.477 40.764 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -2.095 -41.162 40.020 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -3.067 -41.555 37.595 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -3.002 -41.908 38.507 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -3.059 -40.583 37.717 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 1.493 -43.462 39.523 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 0.834 -43.123 40.170 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 1.198 -43.094 38.665 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -1.986 -41.170 32.237 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -1.534 -40.484 32.790 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.288 -41.830 32.054 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -6.787 -37.791 46.525 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.326 -37.098 46.111 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.655 -38.448 45.816 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.395 -41.459 30.617 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -6.136 -42.100 31.309 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.577 -40.644 31.109 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.888 -40.251 35.327 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.560 -39.468 35.812 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.765 -40.983 35.959 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.280 -35.267 45.183 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.385 -35.241 45.590 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.599 -34.362 45.257 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.027 -43.153 33.849 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -2.421 -43.034 34.613 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -2.794 -42.414 33.247 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.848 -45.878 29.062 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.715 -45.484 28.828 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -5.756 -45.695 30.028 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -1.349 -37.918 43.782 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -1.990 -38.027 43.049 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -0.825 -37.133 43.524 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -0.683 -39.243 33.746 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -0.173 -39.447 34.557 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -0.699 -38.276 33.717 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -2.850 -38.265 41.505 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -3.112 -37.483 40.965 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -2.352 -38.835 40.867 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.599 -42.615 33.022 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.731 -41.681 33.283 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -4.774 -42.875 33.482 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 2.174 -46.780 30.274 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 3.081 -47.169 30.220 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 1.939 -46.604 29.349 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.225 -38.922 46.762 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -4.591 -39.276 45.926 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -5.010 -38.737 47.301 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -0.826 -46.850 33.064 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -1.754 -46.565 32.981 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.400 -46.130 33.568 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 3.137 -41.245 40.019 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 2.825 -42.112 39.701 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 2.318 -40.695 40.042 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -1.108 -40.679 43.429 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -0.979 -39.742 43.674 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.066 -40.816 43.517 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -2.999 -38.708 37.474 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -3.262 -37.766 37.488 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -2.421 -38.810 38.260 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.649 -39.427 44.447 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.912 -38.686 43.858 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.119 -40.016 43.868 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 0.083 -35.708 42.853 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 0.818 -35.827 42.228 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -0.339 -34.882 42.565 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.258 -42.733 35.909 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -1.985 -42.370 36.467 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -0.441 -42.454 36.381 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -6.303 -37.036 43.282 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -5.455 -36.557 43.232 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -6.879 -36.444 43.803 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.882 -34.139 9.217 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -3.301 -34.986 8.954 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.999 -34.117 10.193 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -4.493 -28.733 10.448 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.304 -28.686 11.015 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.496 -29.644 10.110 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.018 -26.822 8.993 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.475 -27.670 9.110 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -3.411 -26.247 9.682 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -6.463 -31.014 8.696 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -6.677 -30.078 8.481 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -7.244 -31.519 8.368 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -11.928 -22.111 13.810 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -10.967 -22.263 13.970 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -12.248 -21.723 14.653 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -1.520 -25.453 11.713 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.401 -25.343 11.293 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.508 -24.775 12.410 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -11.826 -24.629 10.908 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -12.785 -24.562 10.975 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -11.517 -23.691 10.920 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -3.347 -34.341 11.883 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -3.585 -33.685 12.570 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.487 -35.208 12.324 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -3.984 -32.475 13.820 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.028 -31.670 14.351 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.758 -32.403 13.213 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.727 -32.201 11.721 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.127 -32.036 10.970 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -6.538 -31.728 11.482 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -8.597 -32.445 7.778 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -9.279 -32.555 8.481 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.032 -32.752 6.981 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -3.340 -21.182 9.621 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -4.044 -20.538 9.732 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -3.806 -22.001 9.336 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -4.094 -25.175 10.891 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.731 -25.088 11.639 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -4.394 -24.503 10.240 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -11.305 -26.396 13.019 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -11.401 -25.896 12.187 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -11.929 -25.948 13.633 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -6.782 -28.856 11.900 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -7.396 -28.093 11.863 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -7.211 -29.471 12.529 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -8.263 -26.153 7.549 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -8.953 -26.464 6.954 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.743 -25.973 8.399 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -2.105 -28.228 11.862 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -3.002 -28.279 11.469 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -1.934 -27.267 11.945 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.589 -28.289 8.261 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -6.039 -27.956 8.981 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -7.189 -27.548 8.054 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -9.775 -30.748 11.392 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -9.193 -30.375 12.081 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -10.530 -31.117 11.894 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -8.306 -24.113 12.194 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -8.751 -23.623 12.922 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -8.711 -23.759 11.390 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -11.049 -28.965 13.951 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -11.193 -28.056 13.613 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -10.091 -29.108 13.854 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -6.098 -24.641 6.902 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -5.693 -25.243 6.272 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -6.930 -25.093 7.164 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -9.671 -25.878 9.789 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -9.357 -26.403 10.552 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -10.507 -25.473 10.104 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -10.605 -32.710 9.573 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -11.234 -33.226 10.110 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -10.348 -31.963 10.155 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -7.543 -36.739 14.103 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -7.552 -36.149 13.324 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.732 -36.483 14.583 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -4.257 -36.517 9.670 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -3.713 -37.113 10.232 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -5.161 -36.790 9.843 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -3.571 -36.492 13.567 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -4.328 -36.318 14.172 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -2.802 -36.567 14.170 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -4.472 -23.483 8.741 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -3.629 -23.805 8.342 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -5.163 -23.771 8.100 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -1.675 -30.598 8.490 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -2.591 -30.797 8.789 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -1.288 -31.482 8.307 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -4.019 -31.589 9.492 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -3.783 -32.513 9.261 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -4.904 -31.450 9.062 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -0.656 -39.900 12.548 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 0.144 -40.397 12.839 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -0.666 -40.026 11.572 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -0.311 -40.150 9.882 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 0.572 -40.417 9.560 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -0.580 -39.449 9.283 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.034 -22.016 11.238 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.496 -21.985 12.103 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.484 -21.205 11.235 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -0.917 -22.536 9.277 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -1.338 -23.208 8.698 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -1.654 -21.932 9.514 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -13.255 -25.243 22.184 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -13.759 -26.043 21.933 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -12.754 -25.522 22.987 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -3.593 -37.355 17.599 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -4.210 -37.990 17.175 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -3.370 -37.776 18.450 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -11.607 -30.102 20.300 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -11.100 -29.928 19.472 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.219 -30.931 20.642 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -10.498 -29.881 23.188 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -9.933 -29.396 23.832 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -10.661 -29.237 22.488 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -14.672 -27.075 25.200 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -14.715 -27.398 24.267 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -15.300 -26.340 25.222 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -10.304 -37.288 22.384 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -9.637 -37.929 22.698 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -10.609 -36.852 23.188 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -15.015 -27.504 19.928 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -14.653 -27.998 19.169 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -15.456 -26.724 19.521 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -16.179 -25.144 19.171 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -15.854 -24.428 18.609 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -16.619 -24.683 19.911 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -13.220 -30.149 22.564 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -12.443 -30.328 23.120 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -12.871 -30.173 21.653 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -1.784 -36.552 15.639 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -2.376 -36.765 16.394 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -1.275 -37.381 15.494 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -13.374 -29.234 18.296 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -12.941 -29.416 19.152 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -13.459 -30.117 17.882 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -8.877 -28.133 24.615 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -8.246 -28.494 25.282 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -8.585 -27.208 24.489 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.025 -20.942 17.307 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.181 -21.662 17.956 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -10.816 -20.973 16.730 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -16.945 -23.393 21.266 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -16.446 -23.614 22.087 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -17.738 -22.953 21.585 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -6.729 -22.108 14.814 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -5.762 -22.156 14.933 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -6.969 -21.219 15.152 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.754 -35.998 23.969 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -7.946 -36.889 23.639 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -6.994 -36.127 24.577 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -7.358 -34.810 12.172 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -7.867 -34.080 12.589 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -6.622 -34.360 11.729 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -12.721 -31.848 17.524 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -12.247 -32.565 17.984 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -12.365 -31.870 16.608 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -10.131 -32.561 27.637 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -9.394 -31.928 27.781 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -9.905 -33.323 28.215 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -12.210 -34.518 11.119 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -11.443 -35.051 11.449 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -12.844 -35.177 10.826 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -7.216 -28.958 26.574 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -6.273 -28.825 26.802 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -7.494 -29.711 27.141 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -10.974 -33.499 19.243 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -10.808 -33.000 20.071 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -10.949 -34.439 19.522 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -10.374 -34.660 14.840 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -10.156 -34.545 15.775 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -9.877 -33.953 14.393 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -11.402 -32.464 12.695 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -11.758 -32.355 13.598 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.923 -33.203 12.315 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -4.277 -20.366 27.778 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -4.577 -19.551 27.322 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -4.241 -21.037 27.063 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.351 -32.212 21.639 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.909 -32.915 22.163 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.350 -31.437 22.240 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -13.286 -34.702 26.052 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.545 -34.116 25.777 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -14.065 -34.288 25.671 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.038 -33.802 15.561 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -7.657 -33.642 16.299 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.513 -33.475 14.778 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.226 -26.024 24.593 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -11.464 -26.245 25.172 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -12.943 -26.616 24.904 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -14.506 -27.752 22.577 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -14.854 -27.716 21.654 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -14.112 -28.653 22.647 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -13.443 -28.070 27.485 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -13.982 -27.796 26.714 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -13.001 -28.900 27.185 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -5.212 -24.544 30.020 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -4.644 -25.179 29.551 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -5.860 -24.249 29.338 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -12.723 -24.473 16.907 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -12.546 -25.443 16.965 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -13.016 -24.233 17.810 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -10.712 -22.703 19.273 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -10.419 -23.628 19.088 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.229 -22.459 20.075 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -15.496 -22.309 19.123 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -14.649 -22.773 19.293 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -16.054 -22.543 19.888 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -4.315 -24.648 26.386 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -5.181 -25.072 26.357 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -3.855 -25.094 27.127 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -2.744 -23.348 13.311 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -3.085 -22.879 14.102 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -3.540 -23.715 12.896 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -10.070 -24.801 15.744 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.765 -25.728 15.791 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.955 -24.820 16.143 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -12.543 -21.500 16.369 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -12.739 -22.418 16.629 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -13.052 -20.953 17.017 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.210 -33.236 17.179 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.078 -32.325 16.829 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -9.818 -33.115 17.944 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.806 -32.901 13.399 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.665 -32.849 12.923 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.597 -31.958 13.610 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.068 -33.608 23.640 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -8.403 -33.010 24.003 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.656 -34.502 23.722 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -8.934 -35.903 17.911 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -9.559 -35.992 18.655 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -8.963 -34.954 17.687 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -13.845 -20.255 18.392 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -13.451 -20.172 19.286 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -14.643 -20.804 18.536 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -13.074 -24.615 14.142 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.763 -23.722 13.899 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -13.159 -24.582 15.114 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -8.684 -26.846 12.189 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -9.518 -26.848 12.699 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -8.348 -25.930 12.286 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -5.662 -24.563 13.034 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -6.546 -24.280 12.719 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -5.807 -24.783 13.977 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -11.950 -27.087 17.047 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -12.472 -27.803 17.462 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -11.191 -27.545 16.648 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -7.987 -30.968 28.287 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -8.452 -30.466 29.002 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -7.401 -31.586 28.777 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -10.425 -30.044 17.860 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -11.253 -30.351 17.460 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.754 -30.175 17.151 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -11.469 -31.285 15.217 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -11.646 -30.450 14.723 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.494 -31.270 15.358 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -10.189 -26.248 26.450 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -9.525 -25.816 25.869 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.826 -27.135 26.601 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.327 -32.953 25.248 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.859 -32.819 26.108 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.609 -33.159 24.617 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.202 -30.424 26.650 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.602 -30.868 27.271 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.184 -30.989 25.863 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.365 -36.694 27.690 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.649 -35.964 27.091 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.187 -37.020 28.067 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -6.696 -32.429 30.221 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -6.621 -33.361 30.475 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -7.209 -32.021 30.948 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -6.831 -34.828 27.820 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -7.658 -34.569 28.261 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -6.157 -34.799 28.535 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -5.000 -35.058 29.789 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -5.028 -36.010 30.026 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -4.284 -34.694 30.345 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -9.739 -37.277 28.146 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.529 -37.699 27.304 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.704 -37.078 28.081 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -9.262 -34.761 29.164 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -9.435 -35.673 28.843 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -8.747 -34.892 29.991 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.710 -17.294 14.499 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -12.285 -18.014 14.228 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -10.812 -17.594 14.244 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -0.663 -34.065 11.853 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -1.595 -34.242 11.624 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -0.660 -34.071 12.834 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -1.467 -34.027 14.444 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -1.503 -34.870 14.944 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -2.369 -33.670 14.511 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -0.496 -38.922 15.122 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -0.710 -39.260 14.221 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 0.452 -38.668 15.061 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -13.716 -24.043 25.794 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -13.509 -24.212 26.731 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.131 -24.661 25.309 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.356 -25.377 24.548 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.644 -24.987 23.693 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.062 -24.600 25.072 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -6.743 -23.302 28.144 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -7.109 -23.320 27.235 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.136 -22.495 28.541 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -12.844 -21.930 24.319 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -13.162 -22.535 25.019 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -12.349 -21.241 24.803 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -15.428 -23.965 23.503 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -15.026 -23.723 24.357 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -14.689 -24.340 22.991 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -13.240 -23.774 19.540 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -13.214 -24.379 20.301 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -12.388 -23.288 19.589 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -10.868 -36.154 19.968 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -10.550 -36.544 20.820 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -11.708 -36.597 19.808 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -5.341 -35.922 15.534 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -5.858 -35.081 15.603 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -4.947 -36.030 16.414 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.124 -35.823 12.222 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.182 -35.750 13.196 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -9.177 -35.723 12.032 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -9.322 -22.701 14.280 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -8.395 -22.470 14.522 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -9.542 -23.464 14.874 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -3.974 -21.891 15.374 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -3.779 -21.639 16.299 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -4.005 -21.030 14.892 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.151 -37.722 30.368 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -5.842 -37.964 29.706 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -4.569 -38.515 30.405 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -10.310 -34.646 40.885 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -9.556 -34.061 40.645 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -9.917 -35.317 41.448 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -2.472 -27.971 35.274 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -2.406 -28.213 36.216 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -3.181 -27.287 35.245 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -11.839 -33.693 38.839 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -12.673 -34.164 38.769 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -11.401 -34.091 39.628 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -2.622 -33.237 42.997 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -1.793 -33.162 42.482 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -2.356 -32.985 43.916 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -4.431 -25.982 35.127 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.000 -25.715 34.377 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -4.585 -25.304 35.790 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -3.932 -35.976 37.277 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -3.399 -35.229 36.939 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.661 -36.058 36.624 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -3.917 -35.647 43.421 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -3.549 -36.133 42.669 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -3.516 -34.753 43.347 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -3.096 -22.838 34.698 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -2.858 -23.570 34.094 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -2.470 -22.929 35.434 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.000 -31.388 32.413 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.492 -32.170 32.757 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -7.218 -31.324 32.989 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -1.248 -29.252 37.621 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -0.404 -29.155 37.126 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -0.981 -29.630 38.475 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -3.845 -40.072 30.618 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -3.091 -40.509 31.079 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -4.408 -40.810 30.329 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -5.977 -20.922 31.357 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -5.208 -21.391 30.967 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -5.968 -21.199 32.304 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -5.612 -22.172 33.739 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -4.744 -22.206 34.188 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -5.883 -23.108 33.679 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.539 -33.842 32.920 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.580 -32.872 32.997 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -4.816 -34.001 32.291 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.006 -33.580 35.919 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.372 -32.988 36.606 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -8.617 -34.308 36.415 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.941 -31.998 37.974 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -10.688 -32.581 38.265 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -10.365 -31.159 37.765 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -3.371 -36.085 39.995 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -3.539 -35.141 40.216 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -3.639 -36.157 39.053 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.113 -29.843 30.442 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -9.702 -29.128 30.767 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -8.805 -30.292 31.259 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -6.248 -24.815 33.186 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -7.232 -24.821 33.219 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -6.040 -24.850 32.237 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -1.910 -22.765 31.654 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -1.700 -21.938 32.133 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -2.616 -22.503 31.025 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -1.447 -17.952 28.522 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -1.334 -18.862 28.217 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.649 -18.047 29.478 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.344 -25.338 27.907 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -11.505 -25.622 27.479 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -12.793 -26.175 28.122 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.609 -35.679 35.040 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.581 -34.894 34.463 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -5.896 -36.396 34.444 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -9.025 -24.421 33.105 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -9.186 -23.934 32.270 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -9.778 -24.195 33.659 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -9.219 -33.668 33.234 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -9.151 -33.609 34.217 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -9.931 -34.321 33.084 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -6.256 -37.284 32.851 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -6.106 -38.191 33.180 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -5.858 -37.290 31.957 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -4.758 -35.688 46.108 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -4.940 -36.594 46.423 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -4.339 -35.818 45.230 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -8.304 -33.100 39.877 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -7.431 -33.166 39.482 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -8.831 -32.600 39.217 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -11.465 -22.839 28.717 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -11.845 -23.697 28.433 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -11.022 -23.042 29.547 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -3.906 -22.083 29.979 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.350 -22.952 29.869 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -4.015 -21.645 29.111 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.708 -27.763 31.239 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -11.616 -27.828 30.865 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -10.538 -26.820 31.281 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -13.215 -27.727 30.174 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -14.058 -27.997 30.547 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -13.295 -27.941 29.217 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 2.743 -29.793 38.175 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 2.266 -29.429 37.381 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 3.647 -29.461 38.079 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -3.740 -33.493 40.551 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -3.526 -33.306 41.491 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -4.049 -32.652 40.207 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -0.314 -30.636 40.229 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -0.783 -31.298 40.755 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 0.469 -31.117 39.883 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.385 -33.627 47.332 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.462 -33.772 48.278 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -3.899 -34.362 46.932 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -1.609 -38.149 46.507 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -1.573 -38.111 45.528 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.519 -38.465 46.700 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.588 -35.883 32.327 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -10.911 -35.537 31.487 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -9.726 -36.268 32.110 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -5.253 -39.865 33.052 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -4.587 -39.779 32.346 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -4.717 -39.927 33.884 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -7.849 -35.265 31.476 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -7.209 -35.808 31.976 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -8.157 -34.598 32.129 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -9.046 -22.754 30.926 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -8.172 -22.581 31.300 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -9.076 -22.185 30.132 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -1.694 -24.835 33.298 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -1.957 -25.660 32.847 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -1.717 -24.154 32.582 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 0.980 -22.028 16.580 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 0.441 -22.135 15.771 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 0.324 -21.805 17.279 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -9.367 -19.920 11.998 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -9.384 -19.128 12.573 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -8.716 -20.496 12.412 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -0.354 -17.879 21.440 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.040 -17.834 22.135 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -0.715 -17.336 20.712 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -6.869 -18.537 28.282 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -6.245 -18.204 28.943 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -6.454 -18.322 27.432 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -7.904 -21.494 23.358 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -7.369 -21.064 22.648 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -8.301 -22.274 22.922 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -2.063 -17.614 23.594 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.144 -16.998 24.340 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -2.124 -18.503 24.015 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -6.353 -18.252 23.845 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -6.234 -18.805 23.035 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.280 -18.403 24.099 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -11.730 -22.940 22.129 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -12.289 -23.741 22.054 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -12.114 -22.456 22.903 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 1.260 -12.361 24.310 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 1.232 -13.310 24.557 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 2.025 -12.011 24.802 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.173 -19.542 14.046 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.764 -18.803 14.325 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.764 -19.221 13.238 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -11.451 -19.676 25.195 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -12.103 -19.036 24.894 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -10.631 -19.430 24.710 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -7.946 -22.928 25.721 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -7.822 -22.381 24.917 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.746 -22.533 26.153 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -9.127 -15.190 23.464 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -9.443 -15.333 22.541 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -9.761 -14.575 23.836 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -7.934 -16.142 15.533 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -8.785 -15.692 15.738 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -7.748 -16.674 16.336 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -8.081 -18.400 20.162 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -7.442 -18.976 20.653 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -7.770 -17.485 20.352 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -11.390 -16.695 18.788 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -12.348 -16.768 18.710 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -11.097 -17.609 18.998 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -10.517 -19.252 19.391 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -10.336 -19.789 18.591 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -9.626 -18.963 19.694 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -9.228 -19.104 23.643 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -9.214 -18.775 22.736 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -8.822 -19.996 23.583 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -5.503 -17.271 14.647 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -6.311 -16.751 14.828 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -4.804 -16.811 15.151 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.421 -16.630 16.410 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.036 -16.755 17.160 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -2.922 -17.474 16.371 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -10.138 -21.663 26.653 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -10.629 -20.877 26.347 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -10.652 -21.982 27.427 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.359 -17.875 17.560 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -6.408 -17.733 17.760 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.757 -18.065 18.434 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -10.506 -15.574 16.321 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.086 -16.051 15.691 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.808 -15.873 17.198 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -7.953 -19.897 15.866 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -8.683 -20.341 16.356 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -7.667 -19.173 16.468 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.453 -15.541 23.085 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.374 -15.356 23.374 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.276 -16.441 23.414 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -7.073 -15.884 20.465 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -6.783 -15.705 21.392 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -6.340 -15.565 19.924 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -9.149 -23.823 22.460 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -10.100 -23.587 22.379 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -8.766 -23.580 21.592 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -9.804 -15.486 20.851 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -10.363 -15.745 20.094 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -8.892 -15.535 20.504 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 2.425 -14.527 31.096 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 2.414 -14.286 30.163 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 1.514 -14.411 31.383 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.854 -17.515 18.584 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.526 -16.764 19.123 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -4.810 -18.288 19.198 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -3.773 -15.326 19.841 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -3.793 -15.921 20.630 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -3.253 -14.551 20.139 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -1.056 -12.427 22.864 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -1.621 -12.356 23.638 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -0.145 -12.322 23.223 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -2.692 -19.719 25.129 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.453 -19.250 25.514 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.937 -20.660 25.194 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -3.863 -17.415 21.500 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -3.346 -17.570 22.316 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -4.176 -18.310 21.238 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -4.891 -18.199 26.171 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -4.252 -17.453 26.156 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -5.380 -18.116 25.317 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 2.669 -18.381 13.849 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 1.905 -18.187 14.436 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 2.351 -19.097 13.273 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -4.184 -22.032 25.591 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -4.948 -22.036 24.999 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -4.103 -22.972 25.883 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -12.597 -20.342 20.824 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -12.275 -21.117 21.307 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -11.795 -19.963 20.409 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -9.121 -18.147 14.068 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -8.711 -18.833 14.639 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -8.684 -17.315 14.349 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -7.730 -20.996 29.254 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -7.167 -20.835 30.040 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -7.679 -20.156 28.749 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -1.897 -18.819 31.199 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -2.855 -18.755 31.002 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -1.855 -19.376 32.006 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -4.527 -18.861 30.122 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -5.126 -19.370 30.701 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -4.396 -19.440 29.345 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 6.142 -45.218 11.999 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 7.096 -45.232 12.230 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 5.839 -44.331 12.289 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 5.212 -42.654 12.248 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 4.403 -42.960 12.727 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 5.534 -41.890 12.790 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 12.770 -38.825 11.458 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 12.683 -39.777 11.239 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 13.141 -38.825 12.361 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 5.808 -44.586 9.358 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 5.816 -44.939 10.269 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 6.758 -44.492 9.135 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 10.861 -39.549 8.166 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 10.346 -39.208 7.426 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 10.553 -39.016 8.942 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 6.115 -41.892 8.139 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 6.160 -42.747 7.698 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 5.227 -41.877 8.541 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 1.706 -41.104 13.130 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 2.494 -40.531 13.063 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 2.070 -41.987 13.339 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 7.270 -41.641 10.605 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 6.619 -42.231 11.034 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 7.031 -41.678 9.648 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 4.300 -47.191 11.553 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 4.997 -46.539 11.798 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 4.330 -47.219 10.591 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 13.178 -37.846 8.934 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 12.597 -38.428 8.410 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 13.039 -38.141 9.858 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 12.656 -41.576 11.071 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 12.345 -42.021 11.891 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 11.950 -41.764 10.419 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 3.114 -43.470 13.733 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 3.607 -43.506 14.586 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 2.708 -44.365 13.655 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 3.927 -42.566 9.706 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 4.398 -43.406 9.518 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 4.111 -42.400 10.650 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 7.505 -38.228 13.141 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 6.893 -38.985 13.274 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 7.212 -37.831 12.288 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 10.281 -38.132 10.351 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 9.779 -37.392 10.750 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 11.048 -38.247 10.942 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 3.185 -38.439 9.631 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 4.007 -38.887 9.924 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 2.703 -39.127 9.142 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 2.070 -40.865 8.648 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 2.701 -41.438 9.143 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 1.847 -41.380 7.867 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 10.171 -41.856 9.621 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 9.333 -41.534 9.994 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 10.425 -41.165 8.973 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 12.058 -44.080 19.384 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 12.604 -43.719 20.131 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 11.396 -43.369 19.212 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 12.299 -46.741 19.875 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 12.118 -45.816 19.591 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 13.173 -46.688 20.318 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 0.234 -46.684 24.982 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 1.049 -47.168 24.730 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.337 -47.376 25.372 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 6.619 -45.132 27.631 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 7.112 -44.769 26.852 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 6.190 -44.360 28.019 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -1.092 -53.453 21.026 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -0.270 -53.682 20.571 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -1.676 -53.136 20.321 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 10.494 -41.917 18.763 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 9.690 -41.484 19.124 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 10.583 -41.549 17.872 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 12.152 -50.080 24.309 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 13.034 -50.390 24.020 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 11.613 -50.085 23.485 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -0.113 -53.374 25.527 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -0.699 -53.714 24.812 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -0.034 -54.111 26.136 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 6.567 -43.997 20.223 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 6.876 -43.507 20.997 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 5.750 -44.448 20.533 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 8.339 -47.982 22.888 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 7.734 -47.560 22.266 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 8.714 -47.235 23.402 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 3.347 -43.478 27.088 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.567 -42.572 26.834 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 3.578 -43.523 28.046 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -2.512 -43.667 16.807 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -2.273 -42.709 16.742 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -2.443 -43.984 15.899 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 15.800 -45.173 24.017 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 14.890 -44.871 23.778 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 16.382 -44.675 23.401 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 13.343 -45.986 15.260 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 13.831 -46.366 16.034 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 13.151 -46.750 14.706 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 12.468 -47.470 24.885 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 12.298 -48.440 24.793 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 12.173 -47.095 24.026 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 1.837 -45.700 22.398 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 1.928 -45.372 23.314 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 1.229 -45.061 21.978 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 0.848 -43.107 22.495 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 0.056 -42.611 22.775 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 1.196 -43.487 23.332 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 3.691 -43.835 29.768 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 2.710 -43.844 29.753 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 3.915 -44.251 30.621 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 11.049 -49.137 19.659 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 11.482 -48.255 19.715 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 11.258 -49.446 18.777 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 2.581 -46.145 27.441 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 3.400 -46.675 27.355 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 2.878 -45.225 27.301 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 1.075 -50.187 20.334 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 1.644 -49.557 20.832 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 0.627 -49.629 19.670 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 14.208 -39.467 13.812 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 14.775 -39.967 13.190 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 14.823 -38.866 14.269 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 7.958 -44.203 25.469 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 8.520 -44.892 25.046 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 8.167 -43.399 24.982 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 9.115 -38.519 15.299 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 10.059 -38.702 15.089 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 8.683 -38.449 14.422 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 1.654 -44.268 24.833 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.076 -44.995 25.149 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 2.192 -44.031 25.613 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 8.878 -44.814 12.354 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 9.651 -45.140 12.831 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 8.846 -43.857 12.577 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.443 -49.708 22.245 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 10.679 -49.631 21.292 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 9.674 -49.119 22.345 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 2.190 -48.643 24.698 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 2.855 -48.742 25.388 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.645 -49.461 24.770 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -4.141 -52.154 18.986 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -4.613 -51.481 19.529 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -4.824 -52.788 18.749 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 8.815 -49.793 24.899 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 9.676 -50.179 24.675 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 8.572 -49.277 24.103 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -1.735 -54.337 23.567 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -1.455 -54.090 22.662 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -2.686 -54.454 23.496 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 0.984 -43.636 29.337 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 0.626 -44.462 28.937 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 0.744 -42.946 28.707 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.742 -44.263 16.669 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 12.312 -44.927 16.227 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.910 -44.398 17.625 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 9.662 -46.079 24.426 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 10.168 -46.398 25.188 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 10.327 -46.038 23.698 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 3.140 -42.199 21.333 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 2.930 -41.422 20.771 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 2.266 -42.487 21.677 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 10.869 -41.861 15.833 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 9.891 -41.823 15.743 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 11.047 -42.763 16.204 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -2.459 -47.101 27.186 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -2.126 -47.895 26.712 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -3.410 -47.079 26.973 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 5.134 -47.373 27.265 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.792 -48.066 27.036 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 5.658 -46.541 27.278 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 11.604 -46.262 22.579 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.601 -46.513 21.636 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 12.220 -45.484 22.621 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.099 -44.761 21.087 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 3.779 -43.834 21.087 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 3.391 -45.256 21.538 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 11.517 -42.709 13.279 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 11.493 -42.433 14.218 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 10.615 -42.496 12.949 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 14.297 -43.752 13.877 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 13.452 -43.379 13.579 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.039 -44.561 14.366 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 4.764 -43.779 15.902 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 4.590 -44.606 16.360 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 5.259 -43.241 16.557 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 8.202 -41.090 15.314 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 8.475 -40.167 15.517 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 7.288 -40.995 14.965 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 2.266 -48.334 21.915 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 2.387 -48.600 22.846 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 2.115 -47.368 21.964 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 14.541 -46.347 21.353 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 14.166 -45.585 21.870 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 15.001 -46.877 22.016 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 6.186 -42.525 17.987 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 6.373 -43.147 18.730 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 7.013 -42.043 17.870 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 11.658 -39.429 14.856 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 11.482 -40.325 15.210 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 12.577 -39.478 14.525 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -0.472 -43.501 31.729 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 0.209 -43.528 31.026 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -1.187 -44.077 31.383 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 3.527 -48.696 13.768 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 3.627 -49.642 13.646 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 3.880 -48.306 12.943 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 8.576 -44.250 9.576 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 8.772 -44.620 10.455 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 9.249 -43.554 9.455 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -0.144 -45.758 28.075 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -0.899 -46.239 27.662 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 0.646 -46.110 27.616 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 5.919 -45.803 33.092 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 5.220 -46.384 33.452 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 6.297 -46.323 32.350 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 15.309 -41.057 11.764 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 15.611 -41.944 12.006 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 14.421 -41.207 11.370 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 7.206 -49.188 26.983 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 7.061 -50.072 27.339 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 7.797 -49.339 26.202 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 16.024 -44.952 30.508 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 15.376 -45.634 30.265 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 16.855 -45.247 30.081 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 12.108 -46.533 27.460 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 12.173 -46.909 26.556 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 13.034 -46.310 27.691 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 2.493 -46.150 13.505 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 2.587 -46.986 14.000 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 2.931 -46.331 12.658 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 14.773 -42.917 29.211 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 15.518 -42.816 28.593 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 15.126 -43.500 29.918 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 17.495 -42.989 17.694 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 17.266 -43.259 16.783 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 18.467 -43.018 17.714 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 16.113 -44.821 19.717 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 15.510 -45.442 20.175 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 16.614 -44.399 20.446 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 16.783 -43.882 15.209 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 17.434 -43.277 14.797 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 15.983 -43.793 14.649 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 14.594 -47.116 17.349 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 15.542 -46.852 17.296 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 14.483 -47.414 18.257 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 14.618 -45.497 27.821 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 15.408 -45.881 27.394 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 14.824 -44.552 27.886 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 18.977 -48.257 29.707 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 18.716 -49.127 29.319 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 19.954 -48.274 29.691 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 14.863 -50.329 23.759 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 15.095 -49.417 24.028 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 15.587 -50.864 24.090 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 15.258 -47.740 24.670 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 14.300 -47.678 24.877 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 15.502 -46.828 24.399 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -0.418 -51.148 22.334 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -0.755 -52.011 22.023 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 0.211 -50.867 21.624 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.203 -47.198 35.360 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 10.069 -47.977 35.912 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 9.774 -46.468 35.868 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 9.738 -47.594 38.691 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 8.920 -47.787 38.200 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 9.422 -47.119 39.499 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 12.998 -45.843 40.947 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 12.883 -45.555 40.017 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 12.875 -46.818 40.905 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 4.681 -45.701 40.065 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 5.463 -45.641 40.640 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.938 -45.440 40.645 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 8.856 -46.223 40.842 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 9.503 -45.668 41.324 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 7.988 -45.886 41.136 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.135 -44.524 34.291 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.009 -44.076 33.434 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -0.334 -43.959 34.939 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 14.359 -43.712 42.302 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 14.454 -43.817 43.264 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 13.916 -44.535 42.009 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 8.622 -45.430 36.639 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 8.492 -44.801 37.375 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 7.961 -46.135 36.808 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 7.220 -47.394 31.237 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 7.556 -47.290 30.320 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 7.965 -47.821 31.713 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 9.717 -48.339 32.071 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 10.408 -48.906 32.423 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 10.139 -47.891 31.306 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 6.158 -48.962 35.001 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 6.118 -49.849 34.633 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 5.380 -48.504 34.606 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 7.947 -43.819 38.808 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 8.885 -43.581 39.010 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 7.591 -44.115 39.656 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 10.575 -43.587 39.445 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 10.709 -43.836 40.375 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 11.160 -44.197 38.947 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 12.237 -45.205 31.035 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 11.691 -45.963 30.757 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 12.169 -44.579 30.292 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 3.954 -47.749 33.922 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 3.562 -47.047 34.480 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 3.183 -48.117 33.429 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 6.343 -40.440 36.566 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 5.909 -39.660 36.982 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 7.291 -40.234 36.615 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 14.988 -42.562 45.036 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 14.952 -41.924 44.300 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 14.528 -42.098 45.776 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 9.209 -39.843 43.408 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 9.516 -39.326 42.626 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 8.324 -40.175 43.139 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 10.627 -47.126 29.764 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 9.720 -47.156 29.387 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 11.207 -47.032 28.977 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 15.081 -48.907 35.849 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 14.999 -49.838 35.630 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 15.310 -48.474 34.988 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 4.692 -47.646 30.019 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 4.961 -47.597 29.084 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 5.534 -47.624 30.515 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 15.360 -38.555 47.047 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.032 -37.651 47.239 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 16.340 -38.462 47.065 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 14.048 -46.465 36.689 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 14.219 -47.382 36.391 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 14.740 -46.305 37.367 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 15.900 -47.671 33.635 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 16.675 -47.985 33.122 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 15.948 -46.697 33.562 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 4.557 -45.387 37.337 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 5.143 -44.616 37.198 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 4.536 -45.500 38.314 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 12.155 -39.812 43.598 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 11.207 -40.023 43.554 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 12.182 -38.921 43.998 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 12.090 -48.321 40.076 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 11.241 -48.122 39.633 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 12.336 -49.186 39.738 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 6.176 -43.169 36.837 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 6.170 -42.193 36.914 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 6.828 -43.455 37.517 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 2.940 -44.976 32.214 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 2.877 -45.423 33.079 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 2.577 -45.633 31.579 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 7.074 -47.561 37.179 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 6.231 -47.251 37.544 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 6.812 -48.119 36.410 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 6.755 -40.580 42.242 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 6.305 -40.044 41.556 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 6.280 -41.427 42.227 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 5.325 -38.129 37.634 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.502 -37.924 37.121 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.741 -37.250 37.766 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 10.817 -44.685 42.037 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 11.603 -45.203 41.748 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 11.149 -44.129 42.751 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 15.093 -38.390 44.282 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 15.193 -38.642 45.222 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 14.934 -39.233 43.824 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.009 -42.282 41.498 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 -0.295 -41.879 42.343 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.236 -41.500 40.932 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 1.558 -48.144 32.628 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 0.637 -47.882 32.841 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 1.685 -47.833 31.712 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 0.746 -41.714 37.476 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 0.642 -41.210 38.319 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 0.948 -41.020 36.810 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 0.770 -37.294 47.381 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 -0.123 -37.621 47.109 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 1.089 -37.967 47.988 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 3.034 -45.481 35.069 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 3.519 -45.455 35.931 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 2.126 -45.222 35.298 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 8.120 -47.184 28.689 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 7.932 -47.919 28.068 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 7.670 -46.409 28.288 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 12.196 -43.635 28.772 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 12.305 -44.399 28.187 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 13.110 -43.313 28.926 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 14.535 -40.888 42.837 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 13.630 -40.527 43.019 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 14.367 -41.722 42.356 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 16.049 -44.876 33.341 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 15.913 -44.719 32.385 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 15.175 -44.686 33.743 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.631 -44.501 34.747 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.758 -45.289 35.321 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 13.537 -43.772 35.369 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 16.081 -46.377 38.595 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 16.627 -46.895 39.225 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 15.957 -45.513 39.047 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 15.985 -44.157 40.142 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 16.902 -44.088 40.479 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 15.427 -43.976 40.926 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 18.168 -48.450 32.348 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 18.371 -48.273 31.404 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 18.516 -49.335 32.501 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 12.007 -45.680 38.340 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 11.279 -46.321 38.247 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 12.666 -45.966 37.668 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.687 -44.836 41.831 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 6.890 -44.912 42.771 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 6.145 -44.014 41.768 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 10.023 -38.944 45.928 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 9.619 -39.363 45.141 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 10.746 -38.394 45.560 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 11.868 -37.268 44.880 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 12.731 -36.836 44.729 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 11.228 -36.518 44.895 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 2.738 -44.542 41.670 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 2.284 -44.229 40.850 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 2.029 -44.605 42.321 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 4.900 -42.758 41.710 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 4.142 -43.358 41.865 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 4.537 -42.069 41.119 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 5.296 -39.538 40.077 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 4.508 -40.114 39.979 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 5.329 -39.034 39.241 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 1.050 -39.501 35.892 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 0.969 -38.861 36.609 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 1.787 -39.135 35.329 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 8.989 -28.738 5.576 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 9.246 -29.336 6.302 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 8.057 -28.504 5.780 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 1.704 -31.375 7.547 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 2.446 -31.913 7.896 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 0.919 -31.943 7.680 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 15.255 -26.554 4.571 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 14.715 -26.838 3.805 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 15.956 -25.995 4.174 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 1.203 -27.062 5.702 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 0.742 -27.832 6.126 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 1.685 -27.454 4.966 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 16.157 -22.696 5.787 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 15.405 -23.324 5.891 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 16.951 -23.262 5.860 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 10.668 -27.717 3.686 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.223 -28.120 2.936 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.159 -28.043 4.468 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 15.426 -34.428 7.934 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 15.544 -33.461 7.982 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 15.220 -34.691 8.847 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 6.413 -28.190 6.526 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 6.048 -27.328 6.808 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 5.679 -28.817 6.669 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 4.246 -29.814 7.159 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 3.359 -30.185 7.011 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 4.833 -30.601 7.192 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 14.308 -24.653 6.312 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 13.335 -24.690 6.391 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 14.534 -25.428 5.753 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 15.506 -28.259 6.710 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.462 -27.706 5.901 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 15.921 -27.673 7.377 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 15.107 -31.651 8.518 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 14.585 -30.907 8.152 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 14.559 -31.978 9.259 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 8.131 -28.480 9.714 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 8.841 -28.134 10.305 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 7.683 -27.688 9.391 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 5.303 -23.187 7.346 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 4.610 -23.120 6.668 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.936 -22.689 8.113 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 5.773 -32.048 7.641 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 4.985 -32.550 7.950 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 6.221 -31.770 8.470 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 11.484 -24.411 6.515 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 11.838 -23.738 7.142 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 10.647 -24.684 6.916 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 4.100 -27.910 9.199 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 4.578 -27.171 8.774 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 4.194 -28.648 8.566 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 2.399 -25.380 7.530 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 1.926 -26.035 6.973 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 1.816 -25.263 8.308 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 13.062 -32.136 10.342 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 12.449 -31.924 9.604 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 12.549 -32.724 10.916 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 1.599 -27.632 10.241 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 2.528 -27.663 9.912 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 1.334 -26.698 10.115 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 11.321 -34.142 8.445 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 11.525 -33.250 8.086 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 11.834 -34.756 7.866 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 11.822 -34.915 10.999 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 10.980 -35.358 11.251 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 11.706 -34.713 10.041 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 6.956 -34.313 6.657 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 7.558 -34.162 5.924 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 6.626 -33.420 6.886 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 10.522 -30.896 11.704 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 10.127 -31.515 11.055 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 10.969 -31.479 12.344 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 3.482 -33.117 8.689 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 3.966 -32.795 9.488 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 2.730 -33.627 9.062 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 9.229 -30.237 7.897 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 8.913 -29.478 8.433 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 8.609 -30.949 8.111 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 13.488 -29.460 8.045 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 13.360 -28.830 8.783 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 14.138 -29.011 7.455 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 13.509 -27.055 2.466 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 12.860 -26.496 2.942 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 13.099 -27.928 2.448 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 12.004 -25.339 4.001 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 11.401 -26.113 3.929 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 11.796 -24.958 4.882 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 -0.407 -33.003 8.475 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 -1.233 -33.524 8.599 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 0.254 -33.470 9.033 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 1.853 -21.122 6.731 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 1.621 -21.047 7.681 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 2.006 -20.207 6.450 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 9.448 -32.702 9.969 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.702 -33.334 10.112 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 10.065 -33.191 9.385 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 13.109 -35.789 7.249 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 14.019 -35.428 7.221 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 13.174 -36.554 7.860 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 -0.052 -22.462 13.897 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 0.544 -23.224 13.742 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 -0.936 -22.789 13.636 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 4.885 -32.249 10.818 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 5.730 -31.794 10.621 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 5.100 -32.842 11.560 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 3.153 -34.587 12.324 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 3.278 -34.415 13.277 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 3.129 -35.569 12.259 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 5.666 -35.585 8.721 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 6.106 -35.265 7.899 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 4.725 -35.588 8.501 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 7.172 -31.065 9.855 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 7.984 -31.532 10.141 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 7.400 -30.111 9.943 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 11.758 -33.145 13.092 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 11.754 -33.854 12.417 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 12.013 -33.597 13.908 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 6.533 -37.252 10.771 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 6.242 -36.674 10.038 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 6.034 -38.082 10.631 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 6.251 -33.841 12.901 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 6.917 -34.476 13.242 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 5.730 -33.606 13.680 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 7.337 -34.276 10.405 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 6.822 -34.129 11.227 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 6.701 -34.716 9.799 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 9.297 -35.837 11.510 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 8.889 -35.879 12.396 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 8.584 -35.478 10.940 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 2.949 -37.299 12.172 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 2.858 -37.496 11.215 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 3.425 -38.083 12.531 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 16.055 -24.330 8.432 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 16.214 -25.287 8.614 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 15.354 -24.334 7.748 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 -2.122 -24.513 7.824 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 -1.506 -24.599 7.058 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 -2.272 -25.442 8.116 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.388 -28.018 10.508 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.467 -28.868 10.972 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.242 -27.580 10.675 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 19.497 -27.366 11.134 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 18.766 -27.361 11.795 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 20.297 -27.553 11.671 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 11.670 -31.460 8.033 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 10.801 -31.013 7.938 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 12.326 -30.742 7.877 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 1.463 -34.008 10.272 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 2.195 -34.197 10.906 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 0.648 -34.121 10.821 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 0.141 -29.242 6.865 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -0.683 -29.544 7.293 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 0.779 -29.963 7.038 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 14.684 -30.372 11.671 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 14.963 -30.797 12.516 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 14.075 -31.030 11.262 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.715 -20.663 4.395 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 10.433 -21.560 4.175 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 11.167 -20.345 3.583 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 0.506 -25.105 9.719 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 0.292 -24.177 9.522 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 -0.153 -25.360 10.398 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 14.435 -35.659 10.255 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 13.601 -35.348 10.666 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 14.165 -36.442 9.738 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 1.395 -21.111 9.491 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 0.561 -21.633 9.431 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 1.460 -20.878 10.440 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 3.001 -23.335 5.740 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 2.503 -22.572 6.125 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 2.818 -24.075 6.359 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 3.822 -21.538 3.817 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 3.757 -22.013 2.983 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 3.615 -22.219 4.498 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -0.256 -24.764 5.874 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 0.399 -24.125 5.576 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 0.184 -25.633 5.756 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 5.113 -25.931 7.596 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 5.476 -25.023 7.515 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 4.141 -25.800 7.537 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 14.111 -24.062 2.658 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 13.403 -24.347 3.274 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 14.184 -24.797 2.030 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 5.295 -39.683 10.783 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 6.065 -40.280 10.815 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 4.930 -39.708 11.701 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 8.880 -42.134 12.832 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 8.590 -41.673 13.651 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 8.352 -41.712 12.121 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 -0.793 -21.303 18.538 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 -0.525 -20.392 18.738 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 -1.764 -21.255 18.449 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 2.090 -38.021 14.799 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 1.985 -37.331 14.122 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 2.734 -38.640 14.405 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 2.209 -24.114 13.788 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 2.694 -23.427 14.299 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 1.940 -24.769 14.471 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 4.175 -31.849 40.858 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 3.338 -31.981 40.370 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 3.937 -31.264 41.581 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 1.546 -27.706 39.539 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 1.769 -28.544 39.079 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 0.903 -27.281 38.955 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 8.135 -22.971 38.218 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 7.758 -22.369 38.896 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 8.911 -23.360 38.656 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 8.587 -30.819 45.328 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 8.022 -30.219 45.862 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 9.450 -30.357 45.288 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 4.487 -28.888 45.771 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 4.335 -27.944 45.676 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 3.789 -29.298 45.215 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 14.504 -25.484 37.344 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 13.999 -26.249 37.694 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 14.345 -24.776 37.994 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 10.010 -25.236 37.742 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 10.457 -24.900 36.952 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 9.128 -25.515 37.421 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 11.692 -32.806 43.907 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 12.473 -32.727 43.306 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 11.024 -32.244 43.500 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 10.152 -24.784 41.991 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 10.763 -24.828 41.214 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 10.299 -25.625 42.461 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 7.304 -31.452 48.391 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 8.177 -31.288 48.808 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 7.146 -30.654 47.848 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 2.446 -29.996 44.293 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 2.137 -29.665 43.414 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.636 -30.290 44.730 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 2.065 -25.562 34.820 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 1.187 -25.668 35.238 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 2.453 -26.472 34.847 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 19.789 -23.157 44.726 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 20.033 -23.546 43.868 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 18.817 -23.264 44.765 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 8.164 -25.273 44.585 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 8.671 -24.475 44.821 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 8.840 -25.889 44.239 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 3.617 -22.120 35.491 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 4.513 -21.719 35.523 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 3.729 -22.980 35.957 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 13.751 -32.348 42.274 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 14.505 -31.744 42.133 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 14.143 -33.253 42.161 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 12.317 -30.151 49.578 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 12.977 -29.567 49.184 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 12.819 -30.961 49.805 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.759 -32.604 43.871 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 7.381 -31.928 44.195 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 5.884 -32.286 44.165 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 6.959 -29.218 46.870 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 6.090 -29.049 46.442 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 7.029 -28.518 47.554 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 5.115 -27.146 36.637 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 4.429 -27.579 36.064 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 4.806 -27.323 37.555 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 1.368 -29.180 41.899 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 1.537 -28.477 41.241 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 0.656 -29.711 41.494 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 8.443 -33.529 46.200 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 8.507 -32.563 46.049 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 7.973 -33.608 47.051 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 10.392 -26.873 43.968 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 11.371 -26.851 44.077 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 10.126 -27.697 44.413 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 15.330 -27.931 32.699 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 16.136 -28.504 32.737 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.597 -27.120 33.140 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 7.321 -25.523 36.980 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 6.988 -24.993 37.723 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 6.633 -26.216 36.850 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 7.578 -23.847 41.895 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 8.518 -24.117 41.801 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 7.319 -24.202 42.757 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 6.227 -21.438 36.031 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 6.917 -21.882 36.546 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 6.201 -20.532 36.400 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.219 -23.865 45.992 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 11.157 -24.121 45.849 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 9.854 -24.592 46.538 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 -0.544 -33.401 41.197 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 -1.042 -33.704 40.423 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 0.387 -33.632 40.989 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.195 -23.091 38.747 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 14.680 -22.543 38.092 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 14.685 -22.945 39.585 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.815 -24.631 45.437 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.646 -24.533 45.939 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 12.881 -25.535 45.044 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 7.185 -27.399 48.954 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 6.609 -27.034 49.636 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 7.877 -27.894 49.464 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 10.990 -29.394 45.242 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 11.762 -28.825 45.098 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 11.351 -30.162 45.743 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 12.134 -31.629 46.347 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 12.177 -32.197 45.547 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 13.063 -31.590 46.670 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 4.364 -31.860 45.091 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 4.647 -31.370 45.876 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.638 -31.317 44.721 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 7.442 -36.234 47.010 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 8.136 -36.758 47.462 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 7.226 -35.523 47.648 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 10.306 -34.997 44.871 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 10.859 -34.278 44.499 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 9.714 -34.538 45.505 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.860 -35.990 48.222 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.004 -36.426 48.020 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 11.631 -35.034 48.283 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 2.410 -35.069 46.954 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 1.657 -34.659 46.494 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 2.042 -35.899 47.310 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 9.566 -37.537 48.185 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 10.025 -37.994 48.916 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 9.644 -38.161 47.424 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 11.656 -38.200 49.938 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 11.915 -37.397 49.446 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 12.433 -38.425 50.452 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 -0.572 -23.793 35.600 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 -0.810 -24.138 34.711 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 -0.454 -24.602 36.140 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 -0.266 -26.406 36.160 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 0.276 -27.205 36.362 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 -1.035 -26.762 35.676 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 17.172 -23.846 44.368 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 17.462 -24.566 43.778 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 16.313 -23.570 43.995 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.851 -23.931 42.925 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 14.812 -24.868 43.224 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 13.911 -23.626 42.970 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 14.633 -27.576 49.692 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 13.815 -27.134 50.023 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 15.229 -26.825 49.449 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 17.410 -25.913 42.501 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.577 -26.238 42.937 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 17.147 -25.750 41.584 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 1.842 -32.031 39.339 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 1.406 -32.551 38.630 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 2.232 -31.257 38.864 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 -1.573 -32.859 45.431 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 -2.213 -32.958 46.170 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 -0.919 -33.573 45.586 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 18.035 -35.718 44.270 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 17.636 -35.578 43.373 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 18.064 -36.690 44.366 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 14.398 -35.964 47.248 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 13.468 -36.051 47.563 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 14.310 -35.795 46.288 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 12.432 -22.683 34.176 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 13.241 -23.137 34.504 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 12.731 -21.773 33.978 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 8.768 -25.823 47.322 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 8.227 -26.421 47.880 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 8.294 -25.800 46.469 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 14.194 -35.863 44.408 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 14.336 -35.439 43.524 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 14.615 -36.754 44.315 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 7.227 -21.578 40.386 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 6.296 -21.432 40.110 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 7.182 -22.352 40.995 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 12.236 -23.234 43.104 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 12.200 -23.550 44.027 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 11.404 -23.555 42.710 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 11.780 -24.723 39.857 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 12.483 -24.136 39.545 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 11.213 -24.862 39.067 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 4.038 -24.627 36.385 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.272 -24.922 35.846 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 4.515 -25.455 36.587 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 4.271 -27.371 39.189 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 3.305 -27.315 39.348 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 4.657 -27.342 40.069 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 13.296 -28.559 31.050 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 13.966 -28.391 31.753 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 13.631 -28.046 30.283 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 0.018 -35.083 45.583 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 0.037 -35.882 46.140 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 0.101 -35.424 44.672 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 4.391 -34.632 45.155 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 4.331 -33.657 45.103 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 3.737 -34.874 45.850 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 13.903 -40.855 46.833 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.034 -40.613 47.170 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 14.456 -40.059 46.998 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 10.106 -22.177 48.148 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 10.167 -22.620 47.275 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 9.871 -21.271 47.937 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.429 -32.600 50.204 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.646 -32.797 51.122 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.159 -33.018 49.689 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 14.635 -31.403 47.468 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 15.247 -30.720 47.836 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 14.984 -32.249 47.821 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.302 -25.676 48.780 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 15.900 -25.363 47.944 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.230 -25.871 48.538 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 14.408 -28.198 46.705 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 13.928 -27.686 46.021 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 14.193 -27.747 47.535 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 11.410 -33.306 48.436 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.556 -32.708 47.673 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.126 -33.073 49.064 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 6.840 -34.073 48.559 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 6.930 -33.091 48.591 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 6.203 -34.271 49.250 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 20.231 -30.722 49.213 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 20.473 -31.644 49.077 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 19.502 -30.760 49.880 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 12.445 -26.135 50.528 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 12.335 -25.682 51.368 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 11.805 -25.683 49.928 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 10.535 -24.714 49.198 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 10.427 -23.757 49.012 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 9.884 -25.146 48.611 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 9.082 -28.714 50.339 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 9.939 -28.376 50.627 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 9.266 -29.638 50.072 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 9.839 -31.199 49.368 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 10.711 -30.737 49.382 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 10.070 -32.127 49.169 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 16.425 -28.874 51.451 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 15.723 -28.529 50.864 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 16.474 -28.232 52.164 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 16.495 -29.620 48.373 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 16.134 -28.823 48.793 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 17.361 -29.340 48.027 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 18.098 -31.017 50.849 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 17.441 -31.557 50.398 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 17.598 -30.220 51.131 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 15.359 -33.791 48.718 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 16.335 -33.921 48.788 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 15.055 -34.569 48.198 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 18.031 -34.372 48.734 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 18.425 -34.277 47.843 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 18.535 -35.097 49.144 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 11.884 -13.967 4.932 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 12.317 -14.496 4.239 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 11.323 -14.616 5.410 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 12.379 -8.567 6.541 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.033 -9.411 6.200 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.747 -8.795 7.412 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 6.667 -11.337 5.356 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 6.416 -11.772 4.537 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 7.552 -11.698 5.559 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 12.821 -15.931 -0.737 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.528 -15.170 -0.224 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.535 -15.738 -1.636 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 2.667 -19.162 4.687 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 1.999 -18.897 4.048 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 2.955 -20.049 4.382 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 11.574 -5.594 -0.173 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 11.378 -4.957 -0.902 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 10.801 -6.166 -0.148 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 16.491 -20.748 3.935 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 15.600 -20.777 3.521 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 16.440 -21.420 4.650 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.281 -18.877 6.964 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 6.814 -19.246 7.725 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 6.659 -19.029 6.208 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 14.648 -4.385 2.726 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 14.333 -5.254 2.383 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 15.587 -4.338 2.435 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 13.476 -6.505 1.535 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 12.815 -6.193 0.879 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 13.311 -7.447 1.607 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 7.868 -6.103 8.776 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 7.267 -6.007 8.030 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 7.316 -6.516 9.478 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 10.805 -3.735 -1.984 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 10.996 -3.261 -2.796 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 10.277 -3.097 -1.449 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.175 -5.310 10.056 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 9.814 -4.805 10.814 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 9.379 -5.666 9.606 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 10.271 0.085 1.110 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 11.210 -0.093 0.907 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 10.303 0.697 1.867 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 13.083 -3.177 0.815 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 12.622 -3.977 0.511 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 13.674 -3.498 1.528 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 5.392 -19.491 5.137 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 5.240 -20.292 4.610 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 4.512 -19.070 5.184 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 12.723 -15.862 2.929 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 11.824 -16.236 3.020 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.210 -16.544 2.421 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 10.390 -15.978 6.147 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 10.117 -16.809 5.714 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 10.006 -16.043 7.042 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 8.284 -14.386 8.672 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 9.199 -14.370 9.030 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 8.144 -15.325 8.436 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 8.757 -7.083 11.956 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 7.862 -7.212 11.591 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 8.754 -6.157 12.273 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 6.288 -13.228 12.576 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 5.405 -13.638 12.691 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 6.373 -13.112 11.605 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 12.510 -4.883 8.661 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 11.666 -5.039 9.143 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 12.604 -3.914 8.656 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 11.419 -11.445 5.974 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.620 -12.259 5.457 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 10.484 -11.559 6.237 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 13.068 -1.808 8.338 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 12.491 -1.095 7.999 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 12.813 -1.887 9.286 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.813 -12.273 6.865 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 8.723 -13.143 7.304 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 8.285 -11.673 7.423 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 16.113 -14.981 5.447 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 15.319 -15.067 6.027 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 15.742 -14.934 4.538 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.214 -7.109 10.743 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.714 -7.878 11.047 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 5.760 -6.341 11.173 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 6.456 -12.732 9.831 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 7.095 -13.394 9.477 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 6.592 -11.944 9.263 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 3.800 -13.189 10.165 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 3.434 -13.162 9.276 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 4.750 -12.962 10.042 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 8.912 -17.022 8.271 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 8.380 -17.735 7.863 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 9.466 -17.476 8.924 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 6.816 -10.697 7.985 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 6.530 -10.838 7.051 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.849 -9.739 8.079 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 3.668 -14.273 12.676 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 2.808 -13.987 13.001 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.658 -14.024 11.722 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 10.290 -18.116 12.315 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 10.918 -18.087 11.568 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 10.120 -19.063 12.443 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 17.944 -14.016 2.768 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 18.326 -14.806 2.344 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 17.002 -14.243 2.888 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 15.321 -14.988 2.832 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 15.533 -15.416 1.976 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.349 -15.094 2.916 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 17.837 -17.136 5.443 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 17.239 -16.367 5.300 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 17.875 -17.578 4.570 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 10.353 -17.313 2.838 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 9.614 -16.811 2.477 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 10.008 -17.671 3.687 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 17.190 -3.936 1.896 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 17.806 -3.381 2.409 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 17.677 -4.148 1.093 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 9.144 -4.382 12.465 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 10.099 -4.234 12.659 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 8.678 -3.863 13.157 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 11.394 0.278 7.755 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 10.862 1.046 8.046 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.721 -0.376 7.451 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 12.801 -5.704 6.053 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 12.693 -5.499 7.004 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 12.654 -6.670 6.000 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 9.417 -18.376 5.166 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.636 -18.561 5.726 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.814 -19.262 5.008 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 12.061 -19.418 2.296 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 11.386 -18.714 2.388 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 12.814 -18.965 1.855 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 13.212 -20.299 5.741 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 12.276 -20.320 5.474 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 13.688 -20.635 4.956 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 19.233 2.835 -1.373 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 19.322 3.112 -2.291 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 20.152 2.614 -1.099 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 1.725 -20.880 12.323 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 2.496 -21.482 12.295 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 1.067 -21.357 12.869 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 3.849 -22.747 11.999 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 4.763 -23.004 12.242 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 3.285 -23.385 12.482 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 10.713 -10.947 15.921 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 10.628 -9.962 15.925 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 9.806 -11.265 16.127 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 10.004 -8.283 21.587 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.170 -8.129 22.083 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 10.538 -8.833 22.192 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 4.564 -11.591 22.962 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 3.715 -11.452 22.517 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 4.313 -11.875 23.873 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 16.356 -9.528 21.424 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 16.149 -9.970 20.595 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 16.082 -10.178 22.117 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 1.987 -15.725 18.799 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 2.751 -15.613 18.195 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 1.324 -15.100 18.462 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 1.483 -11.979 18.040 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 2.348 -12.323 18.371 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 1.721 -11.199 17.535 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 7.840 -8.303 23.302 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 8.337 -7.975 24.090 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 6.941 -8.496 23.654 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 2.809 -14.795 21.247 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 2.239 -15.213 21.910 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 2.465 -15.129 20.390 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 11.065 -5.912 19.724 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.175 -6.615 19.075 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 10.717 -6.367 20.508 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 7.183 -10.631 21.916 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 6.302 -10.812 22.292 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 7.501 -9.849 22.420 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 17.522 -7.036 20.893 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 17.940 -7.001 21.778 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 17.080 -7.909 20.877 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 10.350 -8.278 15.817 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 9.553 -8.212 16.379 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 10.347 -7.451 15.312 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 14.064 -11.628 26.331 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.825 -12.134 25.970 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 13.298 -11.939 25.796 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 6.654 -9.749 15.904 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 7.104 -10.564 16.205 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 6.503 -9.903 14.947 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 10.454 -13.459 12.068 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 10.404 -14.234 12.665 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 10.928 -12.781 12.593 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 11.829 -11.623 13.527 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.402 -11.431 14.390 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 12.784 -11.564 13.715 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 8.220 -11.974 16.399 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 8.050 -12.733 15.796 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 8.378 -12.387 17.268 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 5.241 -13.597 21.126 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.425 -14.149 21.196 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 5.119 -12.907 21.807 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 10.172 -15.701 13.701 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 10.719 -15.923 14.467 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 10.119 -16.548 13.191 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 3.767 -11.880 25.540 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 4.339 -11.325 26.109 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 3.647 -12.710 26.058 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 -1.225 -16.376 19.337 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 -2.169 -16.127 19.338 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 -0.767 -15.569 19.028 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 16.733 -8.882 26.160 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 17.685 -8.725 26.003 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 16.310 -8.646 25.311 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 11.758 -3.949 13.042 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 12.713 -4.167 12.960 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 11.626 -3.809 14.005 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 10.867 -3.783 15.645 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 10.361 -4.624 15.631 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 11.163 -3.698 16.580 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 11.014 -16.748 18.082 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 10.109 -17.115 18.183 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 10.892 -15.971 17.499 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 0.132 -18.496 18.374 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 -0.344 -17.719 18.754 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 0.987 -18.490 18.829 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 9.414 -12.738 18.863 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 9.444 -11.769 19.049 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 8.905 -13.105 19.620 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 9.665 -14.313 29.148 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 8.926 -14.935 28.994 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 9.821 -14.362 30.122 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 11.845 -13.340 20.376 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 11.191 -13.273 19.665 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 12.085 -14.294 20.395 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 4.381 -16.232 14.518 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 3.896 -17.050 14.264 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 4.170 -15.598 13.802 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 -0.288 -13.962 18.401 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 0.327 -13.209 18.214 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 -0.880 -13.616 19.104 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 -0.853 -15.556 16.151 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 -1.813 -15.742 16.168 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 -0.725 -14.895 16.857 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 4.213 -15.234 17.149 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 5.170 -15.423 17.154 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 3.930 -15.491 16.250 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 6.750 -15.868 16.075 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 6.050 -16.164 15.457 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 7.243 -15.189 15.569 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 -1.936 -18.924 16.601 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 -1.216 -18.764 17.248 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 -1.470 -19.070 15.763 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 6.723 -10.588 13.284 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 6.443 -11.504 13.084 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 7.618 -10.535 12.938 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 13.291 -8.813 24.127 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 12.857 -8.164 24.692 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 12.556 -9.395 23.827 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 9.737 -21.199 12.205 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 8.947 -21.504 11.748 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 10.291 -21.998 12.287 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 8.851 -7.585 25.688 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 8.234 -7.850 26.392 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 9.728 -7.622 26.113 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 10.371 -14.384 16.842 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 10.080 -13.867 17.620 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.177 -13.812 16.092 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.923 -12.947 18.693 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 4.103 -13.729 18.135 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 4.476 -13.085 19.484 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 7.920 -7.689 17.072 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 7.370 -8.386 16.633 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 7.772 -7.833 18.015 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 1.247 -14.988 25.088 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 1.376 -15.640 24.356 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 0.748 -15.485 25.764 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 5.895 -10.517 26.846 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 6.476 -11.222 27.154 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 6.301 -9.697 27.214 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 16.034 -10.749 27.979 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.269 -11.119 27.494 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 16.432 -10.112 27.339 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 14.434 -4.433 12.652 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 15.370 -4.360 12.910 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 14.401 -4.030 11.760 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 9.023 -10.188 19.830 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.265 -10.349 20.423 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 9.533 -9.486 20.283 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 10.974 -10.163 23.608 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 10.623 -10.271 24.522 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 10.787 -11.024 23.179 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 14.378 -10.786 14.026 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 15.339 -10.846 14.050 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 14.104 -10.935 14.966 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.694 -2.731 12.448 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 2.794 -2.385 12.419 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.024 -2.471 13.343 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 5.081 -1.955 14.635 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.506 -2.130 15.498 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 5.719 -1.399 14.167 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 9.054 -5.819 15.405 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 8.532 -6.413 15.993 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 8.398 -5.198 15.052 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 0.681 -17.758 15.641 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 0.192 -16.904 15.640 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 0.699 -18.018 16.577 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 15.362 -11.064 23.437 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 14.634 -10.632 23.913 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 15.627 -11.796 24.021 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 5.051 -5.110 12.165 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 4.504 -4.307 12.043 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.991 -5.292 13.108 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 10.391 -10.547 26.297 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 10.201 -10.988 27.147 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 10.708 -9.660 26.557 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 3.243 -14.226 26.813 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 3.396 -14.995 27.370 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 2.506 -14.499 26.224 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 8.003 -13.123 21.187 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 7.802 -12.204 21.478 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 7.120 -13.540 21.098 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 8.054 -13.988 14.561 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 7.483 -13.697 13.812 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.725 -14.566 14.139 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 9.587 -8.851 29.312 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 9.826 -8.345 30.127 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 9.834 -9.775 29.520 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 10.453 -12.689 22.598 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 9.600 -12.974 22.215 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 11.104 -12.846 21.874 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 12.928 -10.851 31.281 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 12.850 -11.654 31.829 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 12.946 -11.189 30.364 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 10.300 -11.603 28.887 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 9.938 -12.505 29.016 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 11.273 -11.726 28.952 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 4.350 -15.809 32.550 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 3.663 -15.287 32.082 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 5.106 -15.826 31.925 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 7.680 -16.306 28.617 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 8.177 -17.148 28.494 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 6.959 -16.362 27.972 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 0.428 -16.123 27.559 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.033 -16.795 27.183 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 -0.231 -16.648 28.052 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.738 -2.334 16.857 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 6.909 -1.434 17.235 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 6.693 -2.907 17.632 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 11.132 -8.069 27.225 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 10.609 -8.242 28.041 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 11.998 -7.801 27.554 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 15.873 -7.970 23.647 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 16.104 -8.486 22.845 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 14.920 -8.167 23.788 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 13.356 -11.334 16.494 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 13.463 -11.652 17.398 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.386 -11.202 16.399 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.603 -9.386 24.343 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.675 -9.712 25.261 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.080 -10.068 23.890 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 12.996 -12.039 28.830 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 13.530 -12.802 29.141 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 13.374 -11.824 27.951 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.166 -16.087 20.415 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 11.853 -16.335 19.513 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 12.022 -16.879 20.937 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 -2.603 -16.609 26.341 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 -2.232 -17.143 27.075 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 -2.289 -15.715 26.520 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 -2.041 -13.189 20.423 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 -2.448 -12.334 20.245 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 -1.593 -13.063 21.295 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 -3.512 -20.746 17.949 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 -3.131 -19.979 17.468 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 -3.957 -20.345 18.731 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 11.456 -3.484 18.291 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 11.299 -4.225 18.916 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 12.283 -3.075 18.606 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 3.335 -22.078 15.209 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 3.593 -21.162 15.062 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 2.562 -22.016 15.815 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 4.071 -21.876 9.383 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 4.084 -22.196 10.309 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 3.162 -21.536 9.265 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 8.289 -3.091 14.704 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 9.193 -3.029 15.069 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 7.716 -2.753 15.424 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 12.964 -15.295 39.918 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 13.367 -15.407 39.038 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 13.277 -14.439 40.215 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 5.007 -20.915 38.869 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 5.370 -20.154 38.374 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 4.405 -21.335 38.247 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 7.287 -8.442 27.932 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 8.115 -8.663 28.421 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 6.907 -7.710 28.431 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 10.482 -7.240 31.293 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 11.412 -7.513 31.106 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 10.548 -6.713 32.093 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 12.957 -8.188 30.780 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.909 -9.121 31.094 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.819 -8.139 30.317 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 10.385 -19.828 35.235 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.625 -19.209 35.225 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 10.899 -19.592 34.448 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 0.913 -19.358 31.145 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 -0.016 -19.060 31.174 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 1.422 -18.588 31.443 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 8.353 -18.058 35.851 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 8.726 -18.079 36.762 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 8.214 -17.098 35.676 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 7.838 -15.392 35.968 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 7.461 -14.985 35.155 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 7.144 -15.287 36.629 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 3.291 -18.357 32.556 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 4.128 -18.829 32.451 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 3.560 -17.426 32.710 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 10.290 -14.450 31.804 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 11.187 -14.083 31.973 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 9.864 -14.439 32.668 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 12.870 -13.509 32.125 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 13.489 -13.904 32.775 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 13.253 -13.748 31.258 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 11.854 -17.407 38.594 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 12.410 -16.966 37.914 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 12.018 -16.883 39.404 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 14.018 -13.158 37.172 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 13.675 -12.339 37.542 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 14.552 -12.875 36.421 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 9.165 -17.754 38.430 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 9.077 -18.406 39.169 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 10.110 -17.490 38.459 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 7.184 -18.404 32.444 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 6.638 -19.133 32.094 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 7.289 -18.614 33.381 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.646 -14.654 33.655 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 6.977 -14.889 32.771 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.710 -14.920 33.632 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.736 -16.016 31.198 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 7.133 -16.058 30.306 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 7.017 -16.858 31.628 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.311 -8.465 29.334 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 15.325 -9.376 28.980 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 15.761 -7.944 28.659 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 17.363 -10.565 30.341 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 16.964 -10.823 29.477 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 16.884 -9.759 30.588 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 14.228 -14.337 29.789 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 14.344 -14.633 28.857 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 14.665 -15.045 30.318 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 14.610 -17.177 34.815 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 14.516 -17.990 35.355 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 14.595 -17.505 33.883 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 12.996 -20.019 33.706 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 13.460 -19.882 34.555 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 13.466 -19.424 33.079 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 -1.636 -20.666 33.425 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 -0.834 -20.684 33.992 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 -2.303 -21.154 33.943 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 8.958 -19.484 40.481 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 8.296 -20.209 40.395 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 9.541 -19.782 41.185 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 11.717 -22.574 37.541 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 12.596 -22.820 37.884 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 11.727 -21.592 37.548 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 14.356 -19.595 36.114 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 14.978 -20.236 36.521 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 13.539 -19.678 36.661 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 0.416 -21.271 35.414 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 0.054 -22.177 35.527 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 1.256 -21.291 35.885 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 6.133 -18.954 37.221 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 6.028 -18.166 37.796 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 6.844 -18.695 36.598 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 11.984 -19.859 37.404 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 11.815 -19.058 37.948 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 11.305 -19.814 36.688 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 6.663 -16.644 38.620 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 7.611 -16.875 38.493 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 6.601 -16.410 39.551 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 17.904 0.974 7.127 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 18.518 0.270 6.829 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.089 1.728 6.524 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 11.719 4.335 2.839 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 11.134 3.568 2.702 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 11.450 4.968 2.151 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 14.304 4.064 1.921 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 13.474 4.112 2.438 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 14.250 3.199 1.463 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 13.468 0.912 3.410 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 12.506 1.091 3.388 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 13.761 1.072 2.486 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 9.484 -4.230 7.125 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 10.151 -4.815 6.746 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 9.061 -4.767 7.813 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 15.735 8.892 8.397 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 15.253 9.625 8.800 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 15.909 9.197 7.477 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 17.062 6.029 6.970 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 16.615 6.036 7.835 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 16.337 5.845 6.328 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 13.581 4.556 8.276 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 14.285 5.180 8.535 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 13.329 4.837 7.379 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 17.724 4.577 10.373 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 16.890 4.976 10.072 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 18.405 4.998 9.809 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 10.913 0.907 11.306 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 11.025 1.777 10.884 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 10.608 1.119 12.214 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 9.999 4.241 13.224 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 9.126 4.443 13.572 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 10.140 3.298 13.464 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 12.482 6.252 0.863 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 13.271 5.868 1.290 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 12.687 6.223 -0.078 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 12.479 4.860 5.494 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 12.147 4.952 4.578 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 12.213 3.952 5.749 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 10.781 1.625 3.431 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 10.943 2.136 4.254 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 10.503 0.734 3.758 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 11.527 2.384 5.940 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 10.871 2.682 6.612 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 11.810 1.511 6.264 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 14.848 8.282 4.865 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 15.216 9.034 5.355 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 13.928 8.564 4.647 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 17.494 11.267 10.016 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 17.671 10.320 10.135 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 17.516 11.625 10.911 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 10.014 2.655 8.145 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 10.419 3.063 8.933 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 9.052 2.630 8.351 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 9.385 -1.874 -0.582 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 8.433 -1.739 -0.607 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 9.703 -1.212 0.073 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 12.305 9.042 4.377 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 11.536 9.155 4.940 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 11.925 8.827 3.495 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 7.218 -0.128 7.398 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 6.272 -0.270 7.495 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 7.367 0.761 7.775 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 11.986 3.239 10.078 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 11.969 3.925 10.778 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.556 3.636 9.374 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 15.579 6.329 9.358 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 15.499 7.220 8.948 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 15.519 6.507 10.322 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 9.561 -1.492 6.896 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 8.663 -1.133 7.090 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 9.471 -2.463 7.045 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 10.232 1.627 13.938 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 11.090 1.478 14.407 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 9.568 1.269 14.548 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 7.409 2.251 8.875 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 7.455 1.630 9.646 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 6.686 2.847 9.096 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 7.623 0.442 10.853 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 8.516 0.094 10.966 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 7.041 -0.274 11.195 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 11.084 8.328 2.045 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 10.518 8.663 1.346 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 11.593 7.607 1.619 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 18.404 8.489 9.122 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 18.756 7.584 8.954 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.469 8.441 8.830 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 19.397 5.972 8.644 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 19.093 5.724 7.752 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 20.345 5.738 8.648 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 16.428 3.911 3.741 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 15.967 3.947 2.878 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 15.988 4.616 4.272 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 15.034 5.644 5.249 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.976 6.609 5.032 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 14.094 5.362 5.322 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 16.743 1.631 -0.044 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.226 1.693 -0.882 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.104 2.371 0.493 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 10.356 -0.858 4.373 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 10.077 -1.051 5.297 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 10.115 -1.651 3.884 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 15.413 1.723 5.088 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 14.616 1.659 4.524 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 15.926 2.453 4.689 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 12.705 -0.621 -0.010 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 12.320 -0.809 -0.873 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 12.934 -1.515 0.350 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 11.962 5.378 11.762 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 11.603 6.216 11.451 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 11.280 5.043 12.395 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.591 4.560 12.081 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 13.644 4.800 12.012 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.052 5.418 12.120 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 12.005 -1.650 10.851 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 11.512 -0.832 11.070 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 11.756 -2.274 11.549 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 6.229 -1.726 11.821 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 5.297 -2.020 11.844 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 6.735 -2.536 11.963 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 12.372 1.076 15.477 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 12.176 0.327 16.076 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 13.342 1.191 15.547 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 15.038 1.833 15.584 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 15.923 1.977 15.995 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 14.717 2.724 15.404 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 19.036 4.726 12.817 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 18.628 4.651 11.931 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 18.516 4.128 13.367 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 9.608 1.199 16.862 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 10.152 1.994 16.822 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 10.254 0.476 17.032 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 15.803 7.070 12.037 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.684 7.506 11.942 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 15.444 7.445 12.850 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 19.546 4.520 16.252 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 20.433 4.115 16.245 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 19.658 5.342 15.739 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 16.432 2.567 11.897 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 15.688 3.197 12.032 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 17.038 3.044 11.305 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 17.596 2.535 16.256 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 18.277 1.929 15.932 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 18.073 3.385 16.374 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 16.312 0.441 13.567 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 15.764 0.779 14.304 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 16.384 1.208 12.953 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 13.796 -1.794 18.306 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 14.269 -2.142 17.543 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 14.501 -1.370 18.852 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 16.015 -0.809 19.496 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 16.301 -0.064 20.029 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 16.819 -1.360 19.400 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 11.480 -0.767 17.322 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 11.024 -1.620 17.417 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 12.348 -0.916 17.759 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 7.370 0.030 17.980 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 7.147 0.588 18.730 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 8.123 0.492 17.550 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 18.567 -37.128 11.179 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 18.960 -37.412 10.341 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 19.020 -37.679 11.851 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 20.066 -38.700 12.835 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 20.051 -39.503 13.370 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 20.527 -38.043 13.405 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 22.659 -38.240 9.405 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 21.792 -38.653 9.605 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 22.556 -37.893 8.517 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 17.409 -39.876 10.167 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 16.842 -39.459 9.511 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 16.785 -40.262 10.811 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 20.156 -39.255 10.090 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 19.257 -39.636 10.000 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 20.286 -39.183 11.056 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 23.069 -45.419 23.119 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 23.092 -46.373 23.263 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 22.208 -45.264 22.671 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 17.102 -43.639 22.085 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 16.797 -42.717 21.888 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 18.026 -43.518 22.411 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 25.778 -37.798 24.270 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 26.043 -36.913 23.927 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 24.990 -38.030 23.739 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 25.077 -45.478 25.072 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 24.356 -45.187 24.483 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 25.309 -44.676 25.582 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 22.624 -46.865 20.285 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 23.211 -47.617 20.449 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 23.230 -46.103 20.215 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 25.654 -40.998 18.593 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 25.038 -40.298 18.291 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 26.143 -41.255 17.774 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 26.302 -47.547 23.769 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 26.894 -47.936 24.419 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 25.905 -46.775 24.238 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 21.317 -42.122 24.934 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 21.200 -42.346 25.883 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 22.271 -42.094 24.815 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 18.901 -42.043 14.982 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 18.992 -41.117 15.263 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 19.473 -42.539 15.603 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 26.798 -40.218 21.159 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 26.606 -40.620 20.291 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 27.010 -39.280 20.946 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 20.758 -45.422 21.599 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 19.876 -45.456 21.208 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 21.305 -45.992 21.009 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 25.381 -47.650 21.235 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 25.689 -47.635 22.174 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 26.004 -48.237 20.795 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 27.110 -40.247 24.030 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 26.671 -39.384 24.171 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 27.106 -40.361 23.056 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 23.888 -41.821 28.313 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 23.573 -41.994 29.235 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 23.991 -40.845 28.284 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 21.822 -48.236 30.049 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 21.669 -47.541 30.732 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 22.618 -47.941 29.588 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 27.082 -37.547 20.669 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 27.674 -36.884 21.038 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 26.236 -37.079 20.562 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.792 -44.112 30.525 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 25.058 -44.506 29.999 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 25.424 -44.025 31.413 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 23.789 -39.143 17.724 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 22.882 -38.831 17.764 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 24.325 -38.317 17.745 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 21.369 -42.755 27.596 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 22.235 -42.377 27.863 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 21.258 -43.533 28.183 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 23.755 -42.534 19.855 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 24.547 -42.073 19.498 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 24.091 -43.418 20.115 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 28.823 -40.295 26.205 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 29.668 -40.153 25.764 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 28.174 -40.366 25.464 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 19.604 -43.332 23.063 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 20.164 -42.850 23.705 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 20.210 -43.974 22.651 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 18.219 -45.773 28.956 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 18.425 -46.683 29.276 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 17.816 -45.919 28.069 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 29.126 -41.576 28.641 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 28.752 -42.470 28.465 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 29.024 -41.104 27.787 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 24.588 -44.998 20.827 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 25.125 -45.816 20.839 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 24.250 -44.923 21.741 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 25.546 -43.089 26.506 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 25.922 -42.351 26.004 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 24.958 -42.654 27.168 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 30.975 -40.266 30.318 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 30.454 -40.878 29.762 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 30.738 -39.382 29.984 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 22.227 -41.588 17.794 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 22.642 -41.988 18.591 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 22.893 -40.954 17.477 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 17.029 -45.930 17.179 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 17.019 -45.312 16.424 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 16.944 -45.354 17.962 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 28.753 -43.239 11.941 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 29.306 -43.942 11.596 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 28.626 -42.634 11.176 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 26.876 -41.873 13.439 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 26.493 -41.378 12.694 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 27.567 -42.433 13.023 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 20.262 -43.276 17.039 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 20.544 -44.199 17.047 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 21.057 -42.778 17.344 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 28.767 -37.633 34.094 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 28.007 -38.255 34.133 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 29.525 -38.202 33.842 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 20.939 -44.970 29.256 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 20.041 -45.208 28.956 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 20.986 -45.326 30.171 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 23.692 -45.170 29.110 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 23.761 -45.208 28.149 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 22.737 -45.047 29.277 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 18.744 -50.825 28.858 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 18.544 -51.669 28.445 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 19.603 -50.977 29.316 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 26.928 -41.509 16.174 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 26.701 -41.676 15.231 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 27.863 -41.296 16.153 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 20.807 -37.323 15.070 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 21.165 -36.814 15.803 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 20.319 -38.050 15.496 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.947 -46.262 26.533 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 16.808 -45.613 25.815 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 16.689 -47.112 26.135 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 29.702 -37.791 29.842 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 29.839 -36.978 30.363 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 29.081 -38.320 30.389 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 26.247 -37.304 31.716 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 26.911 -38.029 31.659 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 25.827 -37.292 30.825 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 28.213 -41.433 9.983 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 28.509 -40.694 9.449 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 27.361 -41.126 10.369 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 18.559 -44.346 41.099 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 18.528 -45.098 41.703 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 19.061 -44.685 40.324 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 19.992 -45.638 39.109 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 20.665 -44.926 39.044 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 20.041 -46.092 38.234 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 18.446 -41.579 41.363 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 19.145 -41.286 41.989 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 18.557 -42.551 41.317 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 18.706 -44.300 34.199 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 17.775 -44.289 33.892 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 19.081 -43.459 33.871 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 20.106 -46.866 36.672 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 19.231 -47.311 36.746 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 20.261 -46.814 35.709 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 21.698 -43.546 38.636 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 21.261 -43.240 37.803 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 22.296 -42.821 38.871 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 24.713 -36.517 33.826 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 24.622 -35.569 33.640 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 25.298 -36.849 33.107 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 21.702 -40.813 46.656 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 22.202 -40.648 47.476 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 20.768 -40.745 46.931 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.775 -46.787 33.888 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 19.326 -45.919 34.022 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 19.089 -47.349 33.474 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 30.502 -40.646 35.354 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 29.999 -41.466 35.521 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 30.236 -40.058 36.073 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 30.547 -39.375 32.948 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 30.717 -39.955 33.728 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 30.983 -39.840 32.202 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 26.881 -39.610 34.392 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 26.440 -39.734 33.527 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 26.478 -40.299 34.964 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 17.510 -42.196 46.217 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 18.060 -42.650 45.575 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 16.595 -42.370 45.916 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.142 -43.488 37.836 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.951 -43.968 38.052 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 24.489 -44.197 37.636 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 17.551 -47.861 36.792 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 16.816 -48.343 36.379 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 17.109 -47.210 37.371 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 25.731 -41.762 35.756 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 25.034 -41.908 35.079 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 25.440 -42.305 36.518 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 24.537 -41.130 39.292 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 24.869 -41.912 38.812 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 25.177 -40.422 39.072 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 21.275 -46.172 31.719 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.748 -45.361 32.030 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 20.792 -46.483 32.519 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 23.241 -45.499 37.476 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.641 -44.896 37.958 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 22.651 -46.159 37.090 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 22.736 -40.502 44.091 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 23.411 -39.809 44.213 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 22.435 -40.708 45.008 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 16.758 -39.536 41.905 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 17.337 -40.287 41.652 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 15.904 -39.957 42.125 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 27.362 -41.682 30.751 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 28.020 -41.658 30.022 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 26.979 -42.577 30.696 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 22.258 -43.843 32.607 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 21.504 -43.297 32.949 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 23.034 -43.493 33.086 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 23.983 -41.963 33.670 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 23.104 -41.527 33.555 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.587 -41.420 33.114 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 22.870 -39.887 49.031 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 22.871 -39.079 48.457 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 23.756 -39.915 49.400 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 27.520 -43.750 28.393 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 27.012 -44.047 29.174 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 26.849 -43.662 27.692 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 22.700 -41.888 30.730 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 22.517 -42.733 31.179 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 22.355 -41.209 31.358 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 28.437 -42.286 36.310 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 27.552 -42.329 35.912 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 28.434 -41.437 36.796 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 21.095 -50.869 30.187 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 21.408 -49.939 30.166 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 21.829 -51.355 30.574 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 18.115 -47.357 40.168 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 18.505 -48.236 40.156 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 18.806 -46.782 39.774 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 19.078 -40.506 47.715 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 18.644 -39.689 47.394 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 18.517 -41.228 47.356 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 20.198 -40.313 43.047 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 20.394 -39.498 42.541 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 21.062 -40.557 43.450 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 24.388 -38.164 43.887 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.680 -37.833 43.296 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 24.393 -37.529 44.631 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 22.920 -39.871 41.132 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 23.497 -40.349 40.493 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 23.008 -40.377 41.958 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 25.391 -40.294 32.098 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 24.821 -39.655 31.635 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 25.941 -40.688 31.390 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 16.692 -26.910 8.758 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 16.638 -27.380 9.623 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 17.555 -27.194 8.382 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 20.339 -25.973 8.958 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 19.890 -25.125 9.121 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 20.114 -26.516 9.744 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 18.828 -27.296 7.096 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 18.914 -26.858 6.226 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 19.549 -26.905 7.632 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.437 -30.091 12.598 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 18.893 -30.283 11.807 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 18.783 -29.742 13.254 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 18.893 -25.028 14.377 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 19.864 -25.171 14.307 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 18.506 -25.821 13.952 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 18.551 -23.852 9.344 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 18.458 -23.507 10.259 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 17.628 -24.086 9.081 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 18.733 -23.466 6.572 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 18.765 -23.847 7.470 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 19.050 -22.551 6.694 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 18.892 -23.988 1.595 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 19.070 -24.347 0.718 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 19.679 -24.259 2.129 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 16.129 -28.018 11.172 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 16.729 -27.840 11.933 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 15.681 -28.852 11.414 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 19.923 -29.539 9.439 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 19.139 -29.689 8.871 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 19.677 -28.768 9.988 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 17.406 -30.983 10.917 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 17.556 -30.729 9.981 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 16.460 -30.795 11.065 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 23.527 -29.793 12.328 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 23.240 -30.615 11.892 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 23.694 -29.177 11.580 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 17.450 -30.151 8.273 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 17.349 -29.604 7.476 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 16.684 -30.765 8.240 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 19.206 -21.346 8.303 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 19.168 -22.203 8.761 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 19.467 -20.716 9.003 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 23.109 -28.531 9.924 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.451 -28.016 9.443 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 22.852 -29.461 9.761 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 22.063 -31.103 10.212 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 21.687 -31.750 10.838 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 21.277 -30.644 9.839 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 23.253 -33.358 13.482 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 23.025 -33.120 14.385 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 22.489 -33.049 12.953 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 20.922 -32.367 12.389 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 20.531 -31.488 12.591 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 20.152 -32.964 12.366 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 24.786 -38.079 11.188 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 24.032 -38.043 10.563 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.681 -37.271 11.737 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 13.951 -21.307 3.212 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 13.275 -20.858 2.670 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 13.965 -22.228 2.871 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 16.834 -24.656 3.368 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 16.002 -24.179 3.182 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 17.444 -24.360 2.658 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.200 -33.027 12.595 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.030 -32.248 12.017 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 17.759 -33.774 12.120 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 18.041 -22.468 11.637 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 18.355 -21.590 11.341 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 18.583 -22.656 12.423 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 26.248 -20.252 15.089 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 25.956 -21.040 14.571 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 26.176 -19.522 14.469 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 18.219 -18.191 9.790 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 19.081 -18.383 10.194 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 17.657 -17.907 10.551 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 19.940 -20.485 10.852 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.250 -20.953 11.658 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 20.462 -19.654 10.843 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 18.933 -25.567 4.878 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 18.926 -24.783 5.473 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 18.145 -25.439 4.310 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 20.933 -24.941 3.128 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 21.800 -24.958 3.542 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 20.330 -25.300 3.816 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 16.957 -34.987 11.255 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 16.083 -35.220 10.875 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 17.535 -35.745 11.015 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 18.322 -34.029 15.246 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 18.496 -33.759 14.322 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 19.204 -34.263 15.602 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.101 -31.361 23.565 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.295 -32.067 24.211 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 23.143 -31.189 23.678 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.302 -20.961 22.557 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.527 -21.904 22.402 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.555 -20.794 21.946 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 25.635 -27.615 21.794 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 26.468 -27.281 21.446 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 24.959 -27.277 21.161 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 22.458 -32.409 26.858 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.493 -31.443 26.667 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.191 -32.781 26.333 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 22.372 -32.629 19.946 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 22.330 -33.489 20.418 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 22.140 -31.975 20.622 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 26.615 -21.397 17.508 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 26.432 -22.308 17.191 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 26.587 -20.853 16.689 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 25.701 -19.828 21.328 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 25.818 -20.729 20.950 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 24.774 -19.818 21.633 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 25.766 -22.187 20.004 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 26.328 -21.983 19.228 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.908 -22.482 19.605 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 20.127 -22.071 31.396 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 20.984 -21.723 31.668 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 20.350 -22.781 30.743 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 21.541 -30.329 16.398 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 20.582 -30.401 16.182 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.809 -31.248 16.597 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 24.017 -23.528 21.829 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 24.803 -23.293 21.300 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 23.430 -23.986 21.191 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 29.075 -18.234 15.680 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 29.961 -17.961 15.345 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 29.017 -19.169 15.458 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 25.559 -16.348 15.051 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 26.289 -16.522 15.678 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 25.906 -15.648 14.467 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 27.991 -38.035 27.679 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 28.673 -37.907 28.369 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 28.287 -38.828 27.194 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 25.852 -40.575 11.086 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 25.649 -39.613 11.207 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 25.006 -40.960 10.833 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.127 -32.499 19.625 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 25.427 -31.738 20.175 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 24.168 -32.538 19.782 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 24.787 -33.800 32.701 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 25.718 -34.099 32.554 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.771 -32.895 32.334 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.306 -35.917 12.848 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.050 -34.973 12.856 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 24.112 -36.220 13.739 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.135 -27.710 24.553 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 25.345 -28.640 24.684 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 25.278 -27.566 23.594 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.756 -28.965 18.584 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.265 -29.752 18.801 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 22.225 -29.229 17.807 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 25.882 -36.569 26.782 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 26.704 -37.008 27.107 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 25.697 -37.015 25.934 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 18.960 -30.994 15.735 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 18.385 -30.342 15.269 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 18.479 -31.829 15.661 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.605 -33.613 25.326 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 24.037 -34.380 25.080 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 25.267 -33.994 25.923 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.553 -23.714 16.476 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 24.617 -23.539 16.638 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 25.673 -24.649 16.759 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 24.255 -25.754 26.277 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 24.308 -24.912 25.766 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 24.611 -26.428 25.654 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.981 -26.593 14.905 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.454 -26.419 15.745 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.904 -27.568 14.874 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 25.302 -30.369 21.298 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 25.433 -29.416 21.468 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.925 -30.713 22.139 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.998 -26.774 19.717 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 23.454 -27.525 19.384 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 23.388 -25.994 19.670 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 21.484 -25.720 14.147 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 22.382 -25.801 14.526 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 21.357 -26.563 13.661 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 21.358 -28.205 12.929 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 22.183 -28.701 12.758 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.662 -28.900 12.951 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 24.969 -36.971 29.332 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 25.338 -36.680 28.468 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.569 -37.844 29.135 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.352 -26.335 17.295 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 25.805 -27.186 17.088 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 24.958 -26.483 18.183 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 25.111 -33.848 17.290 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 25.249 -33.371 18.146 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 25.893 -33.632 16.770 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 23.432 -35.038 30.542 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 23.924 -34.838 31.360 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 23.990 -35.707 30.083 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 22.505 -32.853 17.182 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 22.422 -32.708 18.150 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 23.415 -33.208 17.072 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 20.429 -34.642 16.884 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 20.781 -35.307 17.513 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 21.099 -33.926 16.893 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 16.000 -31.555 13.785 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 16.720 -32.173 13.589 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 16.462 -30.715 14.028 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 18.643 -20.403 29.790 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 19.136 -21.019 30.371 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 17.723 -20.454 30.115 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 19.161 -26.128 30.625 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 18.696 -26.653 29.941 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 19.259 -26.750 31.378 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 25.452 -22.565 13.944 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 25.086 -23.247 13.339 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 25.668 -23.063 14.756 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 22.986 -24.871 28.540 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 23.386 -25.150 27.686 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 23.373 -25.486 29.194 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.469 -24.848 12.825 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.293 -25.469 13.563 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.536 -25.414 12.052 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 26.149 -28.741 16.247 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 26.793 -29.157 15.670 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 25.282 -29.051 15.903 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.781 -29.393 15.046 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 23.714 -29.664 14.102 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 22.936 -29.698 15.444 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 24.067 -26.756 30.303 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 23.348 -27.027 30.927 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 24.771 -26.440 30.880 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 23.887 -28.105 27.927 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 23.931 -27.668 28.804 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 24.086 -27.384 27.295 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 27.212 -34.807 32.070 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 28.179 -34.882 31.970 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 26.889 -35.723 31.926 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 23.212 -38.268 32.038 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 22.692 -39.039 32.370 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 23.566 -37.855 32.843 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 26.393 -16.404 20.563 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 26.738 -17.171 20.061 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 25.542 -16.189 20.116 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 21.537 -21.433 20.470 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 20.800 -22.040 20.293 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 22.318 -21.891 20.091 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 24.579 -36.335 20.898 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 23.743 -35.822 20.917 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 24.410 -37.087 21.509 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 25.995 -35.321 23.155 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 25.774 -34.481 23.581 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 25.534 -35.286 22.303 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 24.609 -36.533 18.114 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 24.693 -36.399 19.077 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.784 -35.652 17.732 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 26.792 -18.655 19.051 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 26.949 -19.420 18.477 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 26.369 -19.039 19.851 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 28.178 -39.217 31.569 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 27.912 -40.139 31.357 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 28.951 -39.324 32.166 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 20.564 -29.254 44.696 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.240 -29.679 44.124 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 20.808 -28.305 44.687 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.808 -29.157 35.709 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.195 -29.611 36.322 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 24.461 -29.371 34.824 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.576 -27.706 42.698 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 24.452 -27.575 43.070 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 23.186 -26.808 42.678 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.518 -25.126 42.834 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.615 -24.943 42.486 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.938 -24.259 42.866 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 22.546 -37.326 42.033 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 22.872 -38.112 41.538 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 21.568 -37.429 42.019 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 23.511 -29.651 33.279 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 22.772 -29.964 33.854 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 23.154 -28.840 32.854 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 25.090 -31.068 31.608 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 25.990 -30.766 31.779 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 24.534 -30.537 32.229 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 24.575 -26.483 36.117 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 24.742 -27.445 35.992 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.257 -26.203 36.731 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.055 -30.457 37.471 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 22.279 -30.314 38.064 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.722 -30.843 38.049 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 19.236 -29.082 47.227 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 19.753 -29.256 46.414 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 19.637 -29.675 47.896 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 20.277 -32.720 34.578 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 19.445 -32.210 34.364 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 20.016 -33.660 34.464 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 19.907 -24.547 42.237 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.228 -25.236 42.353 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 19.579 -24.020 41.471 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 18.419 -26.876 44.825 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 19.398 -26.765 44.788 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.113 -26.586 43.944 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 26.315 -38.093 41.883 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 27.036 -38.606 42.259 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 25.604 -38.148 42.559 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 26.540 -36.745 35.945 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.882 -36.758 35.221 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 27.391 -36.855 35.494 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 21.072 -30.485 39.322 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 21.526 -31.030 39.987 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 20.166 -30.858 39.279 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 24.152 -34.663 40.148 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 23.204 -34.881 40.093 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 24.562 -35.188 39.425 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 21.680 -30.449 35.085 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.095 -30.621 35.958 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 21.115 -31.243 34.927 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 21.097 -26.591 44.725 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 21.646 -26.077 44.100 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 21.581 -26.520 45.583 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 23.037 -31.990 40.820 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 23.162 -32.743 40.219 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 23.728 -32.129 41.513 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.798 -32.715 42.750 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 25.418 -33.474 42.790 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 24.681 -32.448 43.681 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 22.253 -27.469 32.184 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 21.296 -27.683 32.124 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 22.313 -26.872 32.972 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 29.741 -36.000 32.073 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 30.661 -35.935 32.347 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 29.310 -36.508 32.797 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 22.400 -30.160 42.854 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 22.586 -30.688 42.052 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 22.826 -29.289 42.672 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 22.162 -28.833 48.810 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.100 -28.169 49.536 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 21.499 -29.514 49.053 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 20.462 -28.001 35.401 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 19.841 -28.123 36.127 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 20.861 -28.891 35.274 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 22.369 -26.168 34.541 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 21.706 -26.717 35.008 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 23.138 -26.145 35.154 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 18.484 -23.380 40.209 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 17.571 -23.078 40.379 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 18.657 -23.109 39.283 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 20.621 -24.027 29.613 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 21.441 -24.430 29.253 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 20.094 -24.798 29.930 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 21.829 -22.306 27.660 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 21.086 -22.643 28.191 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 22.534 -22.959 27.807 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.855 -35.243 42.252 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.378 -35.034 41.422 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.192 -36.144 42.111 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 22.364 -35.731 37.428 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 21.819 -35.158 37.981 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 22.466 -35.230 36.587 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 24.968 -36.374 38.136 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 24.077 -36.286 37.736 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 25.581 -36.381 37.361 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 28.072 -39.684 37.069 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 27.698 -39.320 36.249 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 27.484 -39.340 37.772 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 19.575 -27.961 32.675 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 19.799 -27.888 33.624 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 18.853 -28.649 32.653 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 18.824 -22.422 37.598 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 19.734 -22.133 37.464 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 18.461 -22.500 36.689 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 15.499 -25.168 46.188 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 15.348 -25.801 45.447 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 16.194 -24.575 45.851 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 22.281 -29.753 26.384 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 22.164 -29.277 25.553 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 22.804 -29.139 26.942 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.839 -30.816 29.075 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.396 -30.775 29.875 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.974 -29.952 28.640 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 21.915 -33.671 45.426 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 22.202 -34.108 44.596 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 22.441 -32.840 45.450 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.529 -29.225 46.483 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.458 -28.295 46.234 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.165 -29.255 47.394 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 22.965 -34.912 43.210 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 23.616 -34.417 42.677 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 22.794 -35.726 42.682 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 23.483 -31.494 44.969 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.612 -30.756 45.610 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 23.092 -31.057 44.183 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 19.701 -36.454 49.999 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 19.955 -36.179 50.885 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 19.852 -37.434 49.996 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 23.805 -36.002 45.582 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 23.563 -35.266 46.162 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 23.665 -35.648 44.680 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 20.238 -36.602 47.369 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 19.986 -35.750 46.952 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 20.076 -36.457 48.329 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 18.239 -38.478 44.010 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 18.837 -39.240 43.855 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 17.447 -38.683 43.463 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 15.992 -21.564 37.222 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 16.310 -21.936 36.374 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 16.770 -21.601 37.800 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 15.887 -22.526 40.859 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 15.566 -23.085 41.607 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 15.797 -21.623 41.186 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.328 -22.637 47.365 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 20.067 -21.717 47.442 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.241 -22.833 46.405 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 26.155 -38.761 39.060 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 25.753 -37.962 38.660 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 26.251 -38.529 40.004 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 20.448 -43.070 36.271 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 20.632 -42.638 35.404 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 19.827 -43.782 36.049 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 14.740 -23.830 35.174 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 14.623 -24.501 35.885 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 15.679 -23.871 34.962 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 22.692 -34.113 35.170 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 21.883 -33.595 34.975 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 23.359 -33.743 34.576 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 18.050 -38.156 46.737 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 18.832 -37.619 46.988 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 18.135 -38.264 45.766 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 22.729 -37.749 47.422 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 23.187 -37.231 46.733 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.796 -37.448 47.365 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 18.201 -23.507 32.730 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 18.843 -22.920 32.277 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 18.285 -24.353 32.263 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 16.047 -33.871 44.943 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 16.754 -34.538 44.863 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 15.236 -34.361 44.726 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 18.608 -26.473 47.542 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 18.434 -26.336 46.589 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 18.909 -27.409 47.594 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.331 -26.636 47.124 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.903 -25.928 47.649 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 22.294 -27.420 47.710 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.364 -34.334 46.235 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 18.925 -34.727 45.447 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 20.231 -34.011 45.895 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 21.872 -26.662 50.397 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 22.215 -26.144 51.127 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 21.402 -26.005 49.835 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 20.656 -25.015 48.617 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 19.841 -25.465 48.303 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 20.571 -24.095 48.268 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 20.275 -39.129 49.845 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 19.731 -39.700 49.267 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.179 -39.486 49.747 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 26.726 -11.365 5.842 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.376 -11.910 5.113 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 27.639 -11.712 5.984 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 18.674 -16.513 1.602 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 19.592 -16.628 1.332 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 18.496 -17.287 2.188 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 18.544 -11.521 3.734 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 18.419 -12.467 3.497 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 18.323 -11.049 2.929 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 26.292 -2.121 1.714 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.219 -2.096 1.974 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 26.170 -3.033 1.352 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 16.177 -16.276 0.516 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 17.097 -16.381 0.852 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 16.290 -16.053 -0.414 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 25.024 -12.344 3.804 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 24.794 -13.274 3.691 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 24.336 -11.999 4.407 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 20.788 -16.265 8.397 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 19.817 -16.138 8.407 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 20.948 -16.793 7.581 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 18.035 -16.195 8.018 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 17.987 -16.934 8.669 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 17.934 -16.633 7.151 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 19.331 -9.430 -1.812 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 18.814 -10.228 -1.932 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 19.379 -9.042 -2.687 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.227 -10.677 5.218 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 22.790 -10.389 4.389 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.067 -10.164 5.234 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.802 -3.784 6.788 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 25.526 -4.200 7.297 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 25.141 -2.886 6.576 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 28.444 -6.310 0.287 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 29.225 -6.709 0.686 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 28.656 -6.258 -0.651 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.927 -5.772 8.381 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.700 -6.589 8.873 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 26.611 -5.346 8.930 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 22.813 0.002 2.137 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.095 -0.287 1.517 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 22.676 0.973 2.221 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 20.954 -17.928 10.651 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 21.285 -17.302 11.314 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 20.992 -17.426 9.811 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 22.002 -10.923 7.669 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 22.693 -11.237 8.283 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 22.464 -10.853 6.804 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 13.839 -17.633 1.143 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 13.389 -17.179 0.396 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 14.785 -17.420 1.012 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 29.262 -12.325 6.134 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 29.856 -11.901 6.764 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 29.816 -12.964 5.676 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 25.021 -10.258 1.971 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 25.383 -10.525 1.120 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 25.114 -11.056 2.534 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 22.019 -14.245 9.880 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 21.672 -14.948 9.288 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 22.005 -14.656 10.772 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 22.695 -3.535 5.015 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 23.126 -2.903 4.404 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 23.391 -3.735 5.673 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.707 -12.135 9.534 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 23.034 -12.864 9.575 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 24.495 -12.523 9.944 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 29.571 -5.491 11.093 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 28.926 -4.891 10.660 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 30.424 -5.088 10.917 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 22.633 -9.269 2.949 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 22.014 -9.212 2.209 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 23.494 -9.499 2.526 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 26.294 -4.728 0.883 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 27.110 -5.264 0.772 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 25.584 -5.328 0.639 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 21.704 2.238 -0.403 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 21.784 2.482 0.545 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 22.625 2.276 -0.736 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.467 -9.233 4.665 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.127 -9.791 5.128 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.750 -9.249 3.738 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 23.931 -13.008 15.136 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 24.246 -12.568 15.957 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.751 -13.348 14.714 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 18.176 -18.706 3.156 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 17.388 -19.205 3.458 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 18.769 -19.404 2.804 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 20.705 -0.258 0.505 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 20.781 0.555 -0.025 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 19.755 -0.313 0.729 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 27.369 -6.703 12.051 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 26.768 -6.157 11.523 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 28.262 -6.329 11.856 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 25.018 -8.134 9.657 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 25.230 -8.736 8.908 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 24.754 -8.736 10.373 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.082 -11.589 12.094 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 26.811 -10.942 12.184 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 25.306 -11.041 11.884 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.202 -13.831 13.825 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 26.180 -13.249 13.036 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 26.790 -13.358 14.454 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 20.832 -17.369 14.024 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.445 -17.344 14.924 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 20.673 -18.274 13.726 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.281 -10.189 7.898 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.847 -10.549 7.183 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.940 -10.973 8.348 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 23.775 -15.269 16.804 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 24.323 -15.821 16.206 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 23.612 -14.458 16.292 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 20.563 -21.884 13.104 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 21.141 -22.659 13.120 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 20.841 -21.360 13.889 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 22.089 -15.641 12.288 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.499 -16.083 12.943 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 22.978 -15.878 12.577 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 18.992 -2.206 3.138 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 18.545 -1.584 2.522 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 19.764 -1.699 3.460 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 24.318 -1.680 3.675 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 25.048 -1.916 3.064 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 23.758 -1.070 3.151 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 20.480 -17.781 6.112 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 20.587 -18.669 5.759 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 19.587 -17.513 5.820 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 26.871 -1.896 8.434 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 26.449 -1.612 7.598 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 26.587 -1.222 9.085 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 28.944 0.220 8.999 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 28.705 -0.612 8.560 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 29.330 0.768 8.281 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 27.359 4.446 3.558 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.891 3.645 3.215 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 28.104 4.559 2.956 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 29.979 1.639 6.877 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 29.401 2.400 6.613 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 30.219 1.228 6.041 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 19.989 -3.580 5.366 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.538 -3.398 4.515 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.940 -3.668 5.119 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 18.772 -21.286 2.398 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 18.844 -22.193 2.044 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 17.950 -21.298 2.922 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 16.753 -17.310 11.868 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 16.507 -16.591 12.452 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 16.185 -18.071 12.171 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 30.046 -10.768 17.640 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 29.797 -11.369 18.381 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 29.531 -9.957 17.808 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 24.887 -9.493 19.922 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.151 -8.837 19.237 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 25.489 -10.253 19.768 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 23.956 -16.030 19.371 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 23.080 -15.687 19.633 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 24.033 -15.774 18.421 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 28.291 -14.466 21.271 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 27.681 -15.107 20.852 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 28.234 -14.672 22.224 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 19.663 -15.797 24.149 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 20.346 -16.344 24.586 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 19.764 -16.009 23.207 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 25.676 -7.773 17.941 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 26.617 -7.902 17.710 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 25.618 -6.828 18.200 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.768 -9.513 22.437 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 24.224 -9.456 21.569 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.443 -8.604 22.598 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 29.874 -11.086 14.873 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 29.910 -10.808 15.808 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 30.713 -11.556 14.737 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 27.464 -12.189 15.562 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 27.024 -11.315 15.574 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 28.376 -11.989 15.256 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 26.325 -10.244 24.908 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 26.636 -10.411 25.815 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 26.837 -10.881 24.363 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.605 -7.646 30.612 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 23.830 -8.081 31.034 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.357 -6.713 30.572 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 28.315 -8.490 17.108 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 27.857 -8.945 16.368 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 28.894 -7.853 16.672 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 16.727 -4.441 20.424 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 17.001 -5.380 20.505 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 15.900 -4.394 20.914 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.413 -5.303 22.535 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.683 -5.871 22.881 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 20.191 -4.406 22.860 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.725 -3.865 13.266 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 24.069 -3.250 13.946 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 23.365 -4.614 13.782 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 23.120 -8.319 25.687 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.355 -8.423 26.295 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 23.872 -8.137 26.288 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 27.444 -16.626 17.117 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 27.183 -17.218 17.849 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 28.100 -17.157 16.604 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 34.533 -12.418 17.286 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 34.691 -13.221 17.792 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 35.409 -12.137 17.004 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 28.157 -14.211 27.131 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 27.510 -14.832 26.736 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 28.952 -14.759 27.273 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 29.063 -12.560 19.488 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 28.604 -13.066 18.785 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 29.005 -13.149 20.276 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 27.772 -12.317 23.906 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.785 -13.295 24.008 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 28.493 -12.136 23.295 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 24.713 -20.563 24.862 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 24.134 -20.609 24.067 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 24.096 -20.572 25.605 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 24.235 -11.629 17.496 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 23.588 -11.596 18.227 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 25.101 -11.537 17.944 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 23.227 -12.944 28.221 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 23.329 -12.911 29.196 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 23.526 -12.062 27.923 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 23.171 -18.422 20.430 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 23.646 -17.629 20.101 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 23.499 -19.152 19.855 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 26.818 -9.472 15.019 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 27.182 -9.583 14.115 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 26.329 -8.623 14.974 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 31.449 -14.902 15.673 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 30.545 -14.874 15.997 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 31.784 -13.991 15.821 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.841 -8.045 27.887 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 24.676 -7.962 28.851 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.691 -7.611 27.755 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 31.987 -12.300 16.304 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 32.907 -12.231 16.647 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 31.465 -11.733 16.904 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 23.179 -15.576 27.799 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 23.106 -14.592 27.872 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 23.332 -15.733 26.843 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 26.406 -11.725 19.242 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 27.276 -11.606 19.663 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 26.470 -12.608 18.818 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 25.227 -5.153 18.793 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.775 -4.283 18.742 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 25.055 -5.455 19.706 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 22.810 -7.046 23.165 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.870 -7.375 24.091 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.936 -6.620 23.119 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 19.625 -5.617 19.736 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 20.041 -5.511 20.603 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.888 -6.235 19.901 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 26.961 -11.580 27.281 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 26.953 -11.927 28.197 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 27.471 -12.247 26.783 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 19.387 -8.467 25.522 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.987 -8.302 26.280 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 19.523 -9.418 25.316 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 23.986 -7.403 12.363 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 23.846 -8.333 12.093 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 24.354 -6.978 11.569 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.348 -7.747 16.333 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 23.007 -8.660 16.233 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 24.135 -7.845 16.905 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 26.748 -19.023 23.750 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 26.165 -19.604 24.289 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 26.615 -19.341 22.831 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 31.499 -17.433 14.700 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 31.558 -16.527 15.081 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 32.223 -17.471 14.073 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 25.397 -4.606 16.053 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 25.430 -4.892 16.986 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 25.635 -5.410 15.548 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 27.862 -15.034 23.910 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 28.408 -15.725 24.331 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 26.999 -15.476 23.754 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 22.588 -6.122 14.345 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 22.881 -6.674 15.114 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 22.946 -6.598 13.563 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 25.902 -6.883 14.396 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 25.078 -7.039 13.898 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 26.564 -6.689 13.701 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 19.998 -10.166 29.499 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 20.543 -10.534 30.221 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 19.078 -10.306 29.799 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.795 -10.079 11.438 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 23.600 -10.662 10.678 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.285 -10.480 12.183 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 26.201 -9.363 32.191 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 25.728 -8.736 31.609 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 27.111 -9.048 32.187 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 27.792 -9.416 12.430 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 27.628 -8.470 12.205 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 28.749 -9.518 12.342 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.468 -10.314 15.811 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.185 -10.832 16.233 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 22.471 -10.612 14.882 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 22.471 -11.608 13.281 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 23.018 -12.197 13.852 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 21.698 -12.144 13.064 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 23.888 -16.046 25.212 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 24.459 -16.124 24.413 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 23.120 -16.630 25.013 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 24.402 -10.668 27.363 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 24.459 -9.715 27.595 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.335 -10.978 27.397 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 21.198 -20.248 25.960 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 21.518 -20.902 26.626 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 20.768 -20.790 25.289 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 26.457 -16.256 26.395 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 26.502 -16.691 27.274 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.507 -16.268 26.166 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 24.452 -23.562 24.660 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 24.838 -22.674 24.678 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 24.271 -23.726 23.713 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 21.708 -17.636 24.715 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.619 -17.740 23.746 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 21.585 -18.541 25.069 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 28.568 -17.427 25.175 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 27.767 -17.105 25.645 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 28.233 -18.154 24.610 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.388 -0.726 11.251 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 20.969 -0.039 11.644 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.633 -0.768 11.874 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 22.476 -10.741 19.636 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 23.275 -10.216 19.851 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 21.944 -10.151 19.083 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 21.186 -8.537 27.631 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 20.804 -9.259 28.186 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 21.419 -7.841 28.282 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 18.425 -6.883 23.516 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 18.878 -7.424 24.206 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 17.471 -7.051 23.673 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 20.126 -2.662 23.456 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 20.941 -2.493 23.947 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 19.428 -2.308 24.022 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 22.489 -4.123 21.204 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 23.317 -4.641 21.308 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 21.812 -4.662 21.666 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 24.637 -5.794 21.529 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 24.012 -6.359 22.037 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.475 -5.893 21.995 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 21.362 -17.040 21.945 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 21.970 -17.693 21.530 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 21.308 -16.322 21.292 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 25.681 -16.553 23.208 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 25.849 -16.506 22.238 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 26.014 -17.442 23.463 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 27.366 -13.899 17.785 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 27.382 -14.861 17.586 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.385 -13.471 16.907 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 24.861 -4.640 10.989 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 24.555 -4.374 11.889 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 24.122 -4.385 10.407 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 20.190 -18.733 28.294 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 19.650 -19.434 28.724 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 20.594 -19.178 27.528 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 23.851 -15.340 31.848 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 24.353 -15.541 32.645 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 24.501 -15.463 31.117 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.325 -14.871 32.090 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 19.065 -15.265 32.928 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 18.882 -13.992 32.089 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 27.442 -17.034 28.836 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 27.581 -17.092 29.811 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 28.334 -16.852 28.480 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.602 -12.774 30.947 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.357 -12.389 31.442 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 23.557 -13.701 31.268 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 29.826 -16.430 27.418 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 30.755 -16.656 27.530 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 29.579 -16.845 26.562 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 21.912 -16.321 30.123 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 22.386 -16.184 29.276 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 22.528 -15.981 30.800 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 13.610 -15.868 37.184 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 14.011 -16.250 36.380 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 13.709 -14.899 37.063 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 14.906 -14.846 33.395 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 15.124 -15.373 32.591 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 14.794 -15.520 34.094 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 27.005 -14.082 32.042 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 26.517 -13.340 32.449 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 27.178 -13.774 31.127 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 17.932 -12.547 32.171 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 17.044 -12.718 32.506 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 17.807 -11.823 31.519 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 22.362 -8.591 31.908 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 22.060 -9.510 31.710 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 22.228 -8.499 32.858 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.256 -15.519 29.558 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 25.954 -16.175 29.349 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 24.564 -15.677 28.879 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.490 -11.896 32.771 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.281 -11.788 33.704 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 25.789 -10.998 32.486 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.516 -11.187 31.561 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 22.275 -11.721 31.224 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.961 -11.833 32.021 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 26.955 -13.363 29.407 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.507 -13.718 28.675 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 26.226 -14.013 29.492 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 21.560 -6.918 29.859 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 20.858 -6.367 30.214 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 21.747 -7.559 30.573 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 17.042 -19.647 34.302 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 16.333 -19.212 34.795 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 17.337 -18.974 33.663 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 17.614 -22.231 35.077 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 17.828 -22.760 34.272 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 17.490 -21.314 34.734 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 16.291 -20.298 31.319 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 15.546 -19.719 31.592 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 16.202 -21.078 31.883 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 17.615 -17.972 32.000 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 17.352 -18.860 31.677 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 16.794 -17.436 31.916 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 27.662 -16.686 31.537 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 27.421 -15.757 31.760 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 28.044 -17.031 32.348 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 19.763 5.141 2.791 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 19.456 5.371 3.688 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 20.736 5.204 2.850 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 19.335 1.885 3.206 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 18.911 2.490 2.552 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 19.053 2.243 4.079 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 22.830 6.970 5.618 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 21.959 7.417 5.625 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.338 7.443 4.914 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 25.058 5.751 2.618 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 25.838 5.397 3.093 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 25.097 5.311 1.738 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.290 9.940 8.274 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 21.343 10.041 8.035 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 22.743 9.893 7.424 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 19.716 10.124 7.358 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 19.231 9.580 8.020 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 19.169 10.934 7.271 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 24.432 2.117 -1.010 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 24.675 1.779 -1.880 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.761 1.429 -0.385 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 24.192 8.140 3.617 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.522 7.326 3.174 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 24.727 8.846 3.243 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 16.414 10.223 6.097 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 16.714 10.289 5.182 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 16.852 10.978 6.547 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 17.830 12.133 7.467 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 17.654 11.910 8.413 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 17.885 13.097 7.459 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 28.424 3.675 6.016 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 28.152 3.937 5.115 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 27.778 4.118 6.594 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 21.908 2.588 2.287 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 21.001 2.464 2.633 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 22.220 3.409 2.726 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 27.537 4.483 10.883 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 27.506 5.434 11.049 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 28.499 4.270 10.876 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 18.190 -0.082 1.631 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 17.517 0.367 1.080 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 18.502 0.615 2.242 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 26.086 2.525 2.200 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.866 1.648 1.836 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.838 3.148 1.487 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 18.324 3.439 1.205 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.706 4.220 1.669 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 18.696 3.490 0.302 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 26.030 4.900 6.906 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 25.536 5.646 7.310 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 25.831 4.967 5.964 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 20.551 9.005 13.109 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 21.144 9.285 12.371 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 20.758 9.622 13.821 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 25.440 4.372 0.279 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 25.839 5.019 -0.350 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 25.009 3.711 -0.302 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 24.250 6.792 7.926 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 23.791 6.931 7.068 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 23.607 6.287 8.457 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 22.494 5.067 3.474 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 22.488 5.475 4.359 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 23.369 5.315 3.106 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 26.014 8.729 11.882 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 25.509 8.786 11.040 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 26.607 9.485 11.853 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 25.318 -1.194 6.164 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 24.981 -1.289 5.240 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 24.782 -0.466 6.539 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 25.857 3.190 9.100 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 26.515 3.635 9.673 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 25.927 3.665 8.245 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 19.395 -1.129 6.322 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 19.943 -0.665 5.653 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 19.472 -2.070 6.071 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 18.104 8.546 11.862 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 18.908 8.652 12.415 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 18.448 8.494 10.951 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 24.689 7.459 13.920 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 25.149 7.797 13.119 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 25.083 7.957 14.642 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 24.504 8.987 9.627 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 23.758 9.456 9.205 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 24.651 8.211 9.049 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 30.195 3.836 11.014 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 30.641 3.535 10.183 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 30.848 4.402 11.439 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 31.454 2.898 8.828 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 30.900 2.454 8.150 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 32.340 2.880 8.456 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 26.541 0.142 10.296 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 27.359 0.431 9.833 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 26.818 0.045 11.226 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 20.434 8.307 5.447 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 20.168 8.968 6.127 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 20.355 8.784 4.611 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 18.444 3.130 5.436 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 17.688 3.418 4.876 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 18.922 3.961 5.630 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 19.317 5.781 5.513 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 19.781 6.644 5.508 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 18.427 5.989 5.882 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 14.156 1.531 0.839 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 13.659 0.801 0.400 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 15.043 1.505 0.413 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 26.402 6.198 -1.497 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 27.189 6.258 -2.050 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 25.888 6.979 -1.728 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 20.763 -0.317 4.095 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 20.295 0.474 3.753 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 21.631 -0.289 3.653 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 25.196 0.248 0.820 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 25.691 -0.586 0.975 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 24.327 0.089 1.242 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 27.388 -4.069 10.092 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 27.338 -3.298 9.487 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 26.494 -4.110 10.501 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 21.976 3.288 15.889 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 22.566 2.541 15.617 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 22.390 4.079 15.475 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 24.048 -0.406 17.220 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 24.703 -0.705 17.866 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 23.196 -0.455 17.705 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 29.408 1.215 11.619 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 29.740 2.133 11.534 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 29.583 0.816 10.744 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 24.617 -0.272 12.851 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 24.462 -1.074 13.387 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 25.575 -0.101 12.955 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 20.030 1.251 15.335 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 20.477 2.117 15.264 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 20.292 0.924 16.215 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 21.531 1.255 12.706 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 21.165 1.092 13.588 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 22.221 1.940 12.858 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 20.894 1.811 18.045 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 20.356 2.444 18.537 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 21.428 2.370 17.442 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 24.633 -2.146 15.134 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 24.407 -1.580 15.899 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 25.001 -2.969 15.545 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.472 3.155 12.909 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 24.448 3.092 13.009 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 23.233 3.970 13.407 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 18.838 -0.434 13.473 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 17.882 -0.190 13.509 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 19.266 0.190 14.095 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 27.343 0.222 13.010 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 28.184 0.566 12.610 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 27.644 -0.357 13.726 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 20.420 6.469 14.349 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 20.400 7.357 13.941 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 19.929 5.898 13.710 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 23.361 1.129 15.088 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 23.806 0.750 14.309 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 23.712 0.610 15.843 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 22.942 5.392 14.371 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 23.610 6.103 14.222 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 22.088 5.876 14.435 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 20.521 -2.269 20.718 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 21.243 -2.935 20.719 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 20.238 -2.229 21.653 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 22.225 9.914 11.160 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 22.046 10.096 10.221 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 23.165 9.676 11.179 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 26.038 2.694 12.334 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 26.639 3.318 11.871 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 26.627 1.996 12.665 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 21.751 -0.762 18.702 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 21.237 -1.129 19.452 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 21.380 0.139 18.572 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 18.181 -2.509 19.214 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.003 -2.457 19.749 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 17.670 -3.249 19.632 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 23.584 -2.852 19.046 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 22.878 -2.216 18.822 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 23.258 -3.292 19.856 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 33.234 -4.553 16.342 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 33.640 -3.913 16.929 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 33.972 -5.015 15.943 1.00 0.00 WAT1 END