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: -821.644, 80.5621, 106.851, 49.2296, 557.533, -617.985, -1002.57, 4.47004, 0.264101 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.348322E-03,0.440223,1.15902,42.1231,4.96933E-03,0.169999 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 50, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:12:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.191 -1.728 -4.619 1.00 12.53 ATOM 2 CB MET 1 3.990 -1.413 -2.653 1.00 64.34 ATOM 3 HB1 MET 1 4.992 -1.543 -3.040 1.00 36.63 ATOM 4 HB2 MET 1 3.923 -1.898 -1.690 1.00 74.10 ATOM 5 CG MET 1 3.748 0.076 -2.452 1.00 22.34 ATOM 6 HG1 MET 1 4.559 0.482 -1.863 1.00 36.63 ATOM 7 HG2 MET 1 2.820 0.206 -1.915 1.00 45.42 ATOM 8 SD MET 1 3.645 0.997 -4.001 1.00 53.34 ATOM 9 CE MET 1 5.272 0.714 -4.706 1.00 75.25 ATOM 10 HE1 MET 1 5.424 -0.346 -4.849 1.00 51.22 ATOM 11 HE2 MET 1 6.027 1.099 -4.036 1.00 74.13 ATOM 12 HE3 MET 1 5.346 1.218 -5.658 1.00 25.33 ATOM 13 C MET 1 3.206 -3.610 -3.589 1.00 31.24 ATOM 14 O MET 1 3.801 -4.179 -4.510 1.00 21.20 ATOM 15 N MET 1 1.598 -1.717 -3.259 1.00 0.00 ATOM 16 HT1 MET 1 1.392 -1.970 -2.273 1.00 36.63 ATOM 17 HT2 MET 1 0.930 -2.221 -3.877 1.00 36.63 ATOM 18 HT3 MET 1 1.449 -0.695 -3.386 1.00 36.63 ATOM 19 CA MET 1 3.000 -2.084 -3.615 1.00 52.33 ATOM 20 N GLY 2 2.725 -4.269 -2.528 1.00 41.31 ATOM 21 HN GLY 2 2.310 -3.765 -1.797 1.00 36.63 ATOM 22 CA GLY 2 2.811 -5.727 -2.444 1.00 61.20 ATOM 23 HA1 GLY 2 3.278 -6.106 -3.343 1.00 36.63 ATOM 24 HA2 GLY 2 1.808 -6.124 -2.388 1.00 64.13 ATOM 25 C GLY 2 3.600 -6.229 -1.234 1.00 51.43 ATOM 26 O GLY 2 4.827 -6.119 -1.188 1.00 32.22 ATOM 27 N HIS 3 2.892 -6.778 -0.248 1.00 32.25 ATOM 28 HN HIS 3 1.914 -6.790 -0.316 1.00 36.63 ATOM 29 CA HIS 3 3.530 -7.381 0.924 1.00 34.41 ATOM 30 HA HIS 3 4.460 -6.857 1.101 1.00 24.32 ATOM 31 CB HIS 3 2.637 -7.241 2.165 1.00 24.40 ATOM 32 HB1 HIS 3 3.038 -7.854 2.961 1.00 36.63 ATOM 33 HB2 HIS 3 1.642 -7.585 1.924 1.00 72.44 ATOM 34 CG HIS 3 2.522 -5.838 2.681 1.00 33.53 ATOM 35 ND1 HIS 3 2.598 -5.526 4.020 1.00 22.22 ATOM 36 HD1 HIS 3 2.731 -6.166 4.751 1.00 60.22 ATOM 37 CD2 HIS 3 2.320 -4.661 2.039 1.00 41.45 ATOM 38 HD2 HIS 3 2.215 -4.522 0.972 1.00 3.01 ATOM 39 CE1 HIS 3 2.448 -4.229 4.179 1.00 61.11 ATOM 40 HE1 HIS 3 2.461 -3.705 5.123 1.00 20.22 ATOM 41 NE2 HIS 3 2.276 -3.678 2.995 1.00 4.34 ATOM 42 HE2 HIS 3 1.926 -2.771 2.852 1.00 36.63 ATOM 43 C HIS 3 3.843 -8.861 0.670 1.00 61.33 ATOM 44 O HIS 3 3.013 -9.735 0.924 1.00 4.52 ATOM 45 N HIS 4 5.043 -9.128 0.159 1.00 31.15 ATOM 46 HN HIS 4 5.659 -8.386 -0.010 1.00 36.63 ATOM 47 CA HIS 4 5.468 -10.495 -0.156 1.00 15.22 ATOM 48 HA HIS 4 4.732 -10.925 -0.822 1.00 21.31 ATOM 49 CB HIS 4 6.826 -10.469 -0.865 1.00 70.51 ATOM 50 HB1 HIS 4 7.116 -11.480 -1.117 1.00 36.63 ATOM 51 HB2 HIS 4 7.565 -10.042 -0.203 1.00 24.42 ATOM 52 CG HIS 4 6.814 -9.661 -2.130 1.00 1.11 ATOM 53 ND1 HIS 4 6.572 -10.205 -3.372 1.00 64.54 ATOM 54 HD1 HIS 4 6.400 -11.155 -3.560 1.00 62.12 ATOM 55 CD2 HIS 4 7.000 -8.334 -2.338 1.00 41.34 ATOM 56 HD2 HIS 4 7.220 -7.591 -1.584 1.00 42.40 ATOM 57 CE1 HIS 4 6.607 -9.255 -4.284 1.00 23.33 ATOM 58 HE1 HIS 4 6.456 -9.392 -5.345 1.00 14.33 ATOM 59 NE2 HIS 4 6.863 -8.110 -3.686 1.00 63.22 ATOM 60 HE2 HIS 4 6.753 -7.229 -4.101 1.00 36.63 ATOM 61 C HIS 4 5.540 -11.352 1.116 1.00 45.10 ATOM 62 O HIS 4 5.117 -12.509 1.132 1.00 33.03 ATOM 63 N HIS 5 6.086 -10.769 2.179 1.00 74.10 ATOM 64 HN HIS 5 6.497 -9.881 2.075 1.00 36.63 ATOM 65 CA HIS 5 6.097 -11.401 3.501 1.00 24.33 ATOM 66 HA HIS 5 5.583 -12.351 3.424 1.00 43.33 ATOM 67 CB HIS 5 7.538 -11.650 3.969 1.00 64.44 ATOM 68 HB1 HIS 5 7.521 -12.009 4.989 1.00 36.63 ATOM 69 HB2 HIS 5 8.089 -10.721 3.932 1.00 52.15 ATOM 70 CG HIS 5 8.281 -12.657 3.140 1.00 11.15 ATOM 71 ND1 HIS 5 8.761 -13.843 3.651 1.00 14.42 ATOM 72 HD1 HIS 5 8.664 -14.150 4.577 1.00 13.43 ATOM 73 CD2 HIS 5 8.639 -12.648 1.834 1.00 64.25 ATOM 74 HD2 HIS 5 8.424 -11.868 1.115 1.00 54.12 ATOM 75 CE1 HIS 5 9.378 -14.515 2.701 1.00 71.03 ATOM 76 HE1 HIS 5 9.853 -15.480 2.816 1.00 40.30 ATOM 77 NE2 HIS 5 9.319 -13.815 1.590 1.00 22.42 ATOM 78 HE2 HIS 5 9.855 -13.999 0.784 1.00 36.63 ATOM 79 C HIS 5 5.361 -10.520 4.522 1.00 11.04 ATOM 80 O HIS 5 5.661 -9.334 4.656 1.00 74.13 ATOM 81 N HIS 6 4.396 -11.100 5.234 1.00 73.24 ATOM 82 HN HIS 6 4.182 -12.046 5.066 1.00 36.63 ATOM 83 CA HIS 6 3.648 -10.367 6.268 1.00 31.51 ATOM 84 HA HIS 6 3.307 -9.440 5.826 1.00 71.21 ATOM 85 CB HIS 6 2.425 -11.179 6.715 1.00 14.22 ATOM 86 HB1 HIS 6 1.984 -10.712 7.584 1.00 36.63 ATOM 87 HB2 HIS 6 2.739 -12.181 6.970 1.00 65.23 ATOM 88 CG HIS 6 1.366 -11.283 5.656 1.00 20.22 ATOM 89 ND1 HIS 6 1.236 -12.373 4.822 1.00 62.24 ATOM 90 HD1 HIS 6 1.797 -13.176 4.836 1.00 73.44 ATOM 91 CD2 HIS 6 0.384 -10.421 5.294 1.00 35.23 ATOM 92 HD2 HIS 6 0.176 -9.459 5.742 1.00 14.14 ATOM 93 CE1 HIS 6 0.227 -12.178 3.996 1.00 11.14 ATOM 94 HE1 HIS 6 -0.110 -12.870 3.240 1.00 15.24 ATOM 95 NE2 HIS 6 -0.304 -11.004 4.261 1.00 53.04 ATOM 96 HE2 HIS 6 -1.080 -10.618 3.801 1.00 36.63 ATOM 97 C HIS 6 4.549 -10.025 7.466 1.00 42.12 ATOM 98 O HIS 6 4.323 -9.040 8.169 1.00 2.12 ATOM 99 N HIS 7 5.561 -10.858 7.690 1.00 62.24 ATOM 100 HN HIS 7 5.598 -11.696 7.181 1.00 36.63 ATOM 101 CA HIS 7 6.618 -10.574 8.665 1.00 61.24 ATOM 102 HA HIS 7 6.627 -9.505 8.835 1.00 73.51 ATOM 103 CB HIS 7 6.345 -11.283 10.005 1.00 20.24 ATOM 104 HB1 HIS 7 5.487 -10.823 10.477 1.00 36.63 ATOM 105 HB2 HIS 7 7.203 -11.162 10.649 1.00 0.44 ATOM 106 CG HIS 7 6.070 -12.754 9.883 1.00 11.42 ATOM 107 ND1 HIS 7 7.065 -13.707 9.836 1.00 34.23 ATOM 108 HD1 HIS 7 8.029 -13.530 9.870 1.00 11.31 ATOM 109 CD2 HIS 7 4.902 -13.436 9.802 1.00 21.33 ATOM 110 HD2 HIS 7 3.907 -13.013 9.812 1.00 61.43 ATOM 111 CE1 HIS 7 6.526 -14.902 9.730 1.00 11.21 ATOM 112 HE1 HIS 7 7.066 -15.835 9.672 1.00 43.03 ATOM 113 NE2 HIS 7 5.219 -14.768 9.709 1.00 70.33 ATOM 114 HE2 HIS 7 4.577 -15.511 9.762 1.00 36.63 ATOM 115 C HIS 7 7.986 -10.977 8.092 1.00 13.51 ATOM 116 O HIS 7 8.455 -12.100 8.291 1.00 63.24 ATOM 117 N HIS 8 8.609 -10.063 7.349 1.00 4.34 ATOM 118 HN HIS 8 8.214 -9.167 7.267 1.00 36.63 ATOM 119 CA HIS 8 9.868 -10.363 6.658 1.00 25.40 ATOM 120 HA HIS 8 9.721 -11.305 6.145 1.00 65.43 ATOM 121 CB HIS 8 10.189 -9.293 5.594 1.00 53.44 ATOM 122 HB1 HIS 8 9.479 -9.387 4.784 1.00 36.63 ATOM 123 HB2 HIS 8 11.181 -9.474 5.207 1.00 54.15 ATOM 124 CG HIS 8 10.149 -7.870 6.076 1.00 4.42 ATOM 125 ND1 HIS 8 9.085 -7.024 5.840 1.00 42.24 ATOM 126 HD1 HIS 8 8.258 -7.256 5.366 1.00 35.34 ATOM 127 CD2 HIS 8 11.061 -7.132 6.750 1.00 61.21 ATOM 128 HD2 HIS 8 12.026 -7.470 7.103 1.00 0.21 ATOM 129 CE1 HIS 8 9.347 -5.837 6.345 1.00 73.24 ATOM 130 HE1 HIS 8 8.695 -4.977 6.307 1.00 30.12 ATOM 131 NE2 HIS 8 10.537 -5.876 6.901 1.00 44.42 ATOM 132 HE2 HIS 8 11.024 -5.095 7.239 1.00 36.63 ATOM 133 C HIS 8 11.040 -10.547 7.639 1.00 34.41 ATOM 134 O HIS 8 11.571 -9.585 8.193 1.00 61.32 ATOM 135 N SER 9 11.412 -11.806 7.851 1.00 11.32 ATOM 136 HN SER 9 10.917 -12.523 7.400 1.00 36.63 ATOM 137 CA SER 9 12.530 -12.173 8.731 1.00 71.41 ATOM 138 HA SER 9 13.362 -11.518 8.508 1.00 54.44 ATOM 139 CB SER 9 12.134 -12.007 10.207 1.00 15.20 ATOM 140 HB1 SER 9 11.317 -12.676 10.438 1.00 36.63 ATOM 141 HB2 SER 9 11.822 -10.988 10.383 1.00 0.05 ATOM 142 OG SER 9 13.222 -12.303 11.070 1.00 40.34 ATOM 143 HG SER 9 13.199 -11.710 11.832 1.00 4.41 ATOM 144 C SER 9 12.952 -13.626 8.457 1.00 0.43 ATOM 145 O SER 9 12.570 -14.200 7.437 1.00 43.12 ATOM 146 N HIS 10 13.741 -14.219 9.352 1.00 35.12 ATOM 147 HN HIS 10 14.041 -13.713 10.138 1.00 36.63 ATOM 148 CA HIS 10 14.159 -15.618 9.198 1.00 52.11 ATOM 149 HA HIS 10 13.285 -16.185 8.908 1.00 0.42 ATOM 150 CB HIS 10 15.212 -15.745 8.092 1.00 70.23 ATOM 151 HB1 HIS 10 14.782 -15.412 7.157 1.00 36.63 ATOM 152 HB2 HIS 10 15.500 -16.781 7.996 1.00 51.12 ATOM 153 CG HIS 10 16.454 -14.944 8.340 1.00 42.12 ATOM 154 ND1 HIS 10 17.523 -15.418 9.070 1.00 24.12 ATOM 155 HD1 HIS 10 17.582 -16.305 9.490 1.00 65.43 ATOM 156 CD2 HIS 10 16.799 -13.694 7.947 1.00 74.33 ATOM 157 HD2 HIS 10 16.196 -13.018 7.356 1.00 55.24 ATOM 158 CE1 HIS 10 18.466 -14.502 9.116 1.00 21.11 ATOM 159 HE1 HIS 10 19.416 -14.599 9.622 1.00 62.42 ATOM 160 NE2 HIS 10 18.055 -13.445 8.443 1.00 12.22 ATOM 161 HE2 HIS 10 18.642 -12.715 8.145 1.00 36.63 ATOM 162 C HIS 10 14.697 -16.204 10.514 1.00 32.25 ATOM 163 O HIS 10 15.433 -15.542 11.253 1.00 23.21 ATOM 164 N MET 11 14.332 -17.452 10.793 1.00 23.45 ATOM 165 HN MET 11 13.761 -17.936 10.154 1.00 36.63 ATOM 166 CA MET 11 14.765 -18.132 12.018 1.00 54.15 ATOM 167 HA MET 11 15.800 -17.869 12.190 1.00 12.10 ATOM 168 CB MET 11 13.929 -17.654 13.219 1.00 21.14 ATOM 169 HB1 MET 11 14.104 -16.597 13.366 1.00 36.63 ATOM 170 HB2 MET 11 14.252 -18.186 14.103 1.00 52.23 ATOM 171 CG MET 11 12.427 -17.870 13.055 1.00 62.24 ATOM 172 HG1 MET 11 12.238 -18.929 12.956 1.00 36.63 ATOM 173 HG2 MET 11 12.096 -17.363 12.160 1.00 42.15 ATOM 174 SD MET 11 11.477 -17.242 14.455 1.00 22.51 ATOM 175 CE MET 11 9.809 -17.681 13.963 1.00 24.25 ATOM 176 HE1 MET 11 9.573 -17.203 13.023 1.00 11.01 ATOM 177 HE2 MET 11 9.113 -17.351 14.719 1.00 62.45 ATOM 178 HE3 MET 11 9.734 -18.754 13.851 1.00 21.43 ATOM 179 C MET 11 14.667 -19.659 11.880 1.00 2.04 ATOM 180 O MET 11 13.664 -20.191 11.396 1.00 74.42 ATOM 181 N ASN 12 15.719 -20.357 12.297 1.00 12.22 ATOM 182 HN ASN 12 16.511 -19.876 12.617 1.00 36.63 ATOM 183 CA ASN 12 15.735 -21.823 12.288 1.00 43.35 ATOM 184 HA ASN 12 15.424 -22.153 11.306 1.00 0.15 ATOM 185 CB ASN 12 17.165 -22.328 12.557 1.00 74.23 ATOM 186 HB1 ASN 12 17.495 -21.953 13.516 1.00 36.63 ATOM 187 HB2 ASN 12 17.823 -21.952 11.787 1.00 74.44 ATOM 188 CG ASN 12 17.270 -23.846 12.574 1.00 41.40 ATOM 189 OD1 ASN 12 16.501 -24.544 11.925 1.00 12.31 ATOM 190 ND2 ASN 12 18.234 -24.368 13.302 1.00 63.31 ATOM 191 HD21 ASN 12 18.832 -23.766 13.785 1.00 25.24 ATOM 192 HD22 ASN 12 18.309 -25.347 13.333 1.00 63.15 ATOM 193 C ASN 12 14.760 -22.391 13.334 1.00 35.12 ATOM 194 O ASN 12 14.431 -21.725 14.320 1.00 53.14 ATOM 195 N SER 13 14.302 -23.621 13.111 1.00 10.13 ATOM 196 HN SER 13 14.570 -24.083 12.286 1.00 36.63 ATOM 197 CA SER 13 13.409 -24.311 14.055 1.00 33.00 ATOM 198 HA SER 13 12.450 -23.812 14.026 1.00 42.33 ATOM 199 CB SER 13 13.221 -25.776 13.637 1.00 13.14 ATOM 200 HB1 SER 13 12.732 -25.814 12.674 1.00 36.63 ATOM 201 HB2 SER 13 12.611 -26.284 14.369 1.00 54.23 ATOM 202 OG SER 13 14.469 -26.444 13.540 1.00 32.02 ATOM 203 HG SER 13 14.587 -26.771 12.639 1.00 11.53 ATOM 204 C SER 13 13.957 -24.246 15.489 1.00 51.43 ATOM 205 O SER 13 13.228 -23.929 16.430 1.00 61.01 ATOM 206 N ALA 14 15.245 -24.536 15.649 1.00 35.34 ATOM 207 HN ALA 14 15.754 -24.872 14.878 1.00 36.63 ATOM 208 CA ALA 14 15.915 -24.412 16.950 1.00 64.33 ATOM 209 HA ALA 14 15.445 -25.110 17.631 1.00 72.23 ATOM 210 CB ALA 14 17.383 -24.799 16.820 1.00 5.23 ATOM 211 HB1 ALA 14 17.880 -24.114 16.147 1.00 10.21 ATOM 212 HB2 ALA 14 17.459 -25.803 16.430 1.00 21.32 ATOM 213 HB3 ALA 14 17.856 -24.753 17.791 1.00 15.44 ATOM 214 C ALA 14 15.789 -22.987 17.530 1.00 40.44 ATOM 215 O ALA 14 15.406 -22.810 18.689 1.00 32.15 ATOM 216 N GLU 15 16.100 -21.977 16.708 1.00 21.13 ATOM 217 HN GLU 15 16.370 -22.182 15.789 1.00 36.63 ATOM 218 CA GLU 15 16.037 -20.568 17.135 1.00 34.20 ATOM 219 HA GLU 15 16.746 -20.438 17.941 1.00 11.54 ATOM 220 CB GLU 15 16.424 -19.626 15.980 1.00 65.55 ATOM 221 HB1 GLU 15 16.228 -18.606 16.284 1.00 36.63 ATOM 222 HB2 GLU 15 15.805 -19.857 15.124 1.00 51.44 ATOM 223 CG GLU 15 17.884 -19.716 15.542 1.00 33.01 ATOM 224 HG1 GLU 15 18.082 -20.719 15.187 1.00 36.63 ATOM 225 HG2 GLU 15 18.519 -19.507 16.393 1.00 74.13 ATOM 226 CD GLU 15 18.212 -18.726 14.429 1.00 63.42 ATOM 227 OE1 GLU 15 18.517 -17.552 14.735 1.00 64.33 ATOM 228 OE2 GLU 15 18.144 -19.109 13.245 1.00 12.32 ATOM 229 C GLU 15 14.638 -20.186 17.645 1.00 12.44 ATOM 230 O GLU 15 14.496 -19.622 18.734 1.00 71.40 ATOM 231 N GLN 16 13.609 -20.492 16.855 1.00 63.32 ATOM 232 HN GLN 16 13.777 -20.968 16.012 1.00 36.63 ATOM 233 CA GLN 16 12.233 -20.128 17.213 1.00 53.44 ATOM 234 HA GLN 16 12.231 -19.072 17.446 1.00 32.01 ATOM 235 CB GLN 16 11.277 -20.369 16.036 1.00 24.53 ATOM 236 HB1 GLN 16 11.642 -19.821 15.178 1.00 36.63 ATOM 237 HB2 GLN 16 10.300 -19.990 16.301 1.00 23.21 ATOM 238 CG GLN 16 11.129 -21.832 15.642 1.00 54.43 ATOM 239 HG1 GLN 16 10.848 -22.399 16.519 1.00 36.63 ATOM 240 HG2 GLN 16 12.079 -22.193 15.274 1.00 74.43 ATOM 241 CD GLN 16 10.077 -22.049 14.567 1.00 64.30 ATOM 242 OE1 GLN 16 8.904 -22.253 14.864 1.00 40.42 ATOM 243 NE2 GLN 16 10.483 -22.013 13.314 1.00 51.44 ATOM 244 HE21 GLN 16 11.429 -21.849 13.135 1.00 40.12 ATOM 245 HE22 GLN 16 9.814 -22.162 12.611 1.00 11.33 ATOM 246 C GLN 16 11.747 -20.895 18.454 1.00 53.31 ATOM 247 O GLN 16 11.000 -20.354 19.268 1.00 24.12 ATOM 248 N THR 17 12.175 -22.153 18.594 1.00 72.01 ATOM 249 HN THR 17 12.740 -22.546 17.895 1.00 36.63 ATOM 250 CA THR 17 11.807 -22.969 19.762 1.00 74.32 ATOM 251 HA THR 17 10.727 -23.022 19.795 1.00 52.15 ATOM 252 CB THR 17 12.356 -24.415 19.652 1.00 40.51 ATOM 253 HB THR 17 13.433 -24.369 19.563 1.00 44.54 ATOM 254 OG1 THR 17 11.820 -25.055 18.484 1.00 60.01 ATOM 255 HG1 THR 17 12.451 -24.991 17.762 1.00 64.33 ATOM 256 CG2 THR 17 12.004 -25.247 20.884 1.00 25.42 ATOM 257 HG21 THR 17 12.403 -26.245 20.770 1.00 5.13 ATOM 258 HG22 THR 17 10.930 -25.300 20.989 1.00 23.01 ATOM 259 HG23 THR 17 12.429 -24.789 21.765 1.00 70.34 ATOM 260 C THR 17 12.303 -22.329 21.068 1.00 11.24 ATOM 261 O THR 17 11.575 -22.282 22.059 1.00 22.31 ATOM 262 N VAL 18 13.541 -21.824 21.062 1.00 25.10 ATOM 263 HN VAL 18 14.103 -21.945 20.263 1.00 36.63 ATOM 264 CA VAL 18 14.085 -21.101 22.224 1.00 21.15 ATOM 265 HA VAL 18 14.131 -21.796 23.054 1.00 14.42 ATOM 266 CB VAL 18 15.517 -20.569 21.951 1.00 71.31 ATOM 267 HB VAL 18 15.463 -19.867 21.130 1.00 31.50 ATOM 268 CG1 VAL 18 16.071 -19.826 23.170 1.00 14.41 ATOM 269 HG11 VAL 18 17.056 -19.443 22.943 1.00 40.14 ATOM 270 HG12 VAL 18 16.135 -20.502 24.011 1.00 52.34 ATOM 271 HG13 VAL 18 15.417 -19.003 23.421 1.00 10.14 ATOM 272 CG2 VAL 18 16.452 -21.705 21.540 1.00 65.42 ATOM 273 HG21 VAL 18 16.544 -22.411 22.353 1.00 13.33 ATOM 274 HG22 VAL 18 17.426 -21.303 21.301 1.00 20.42 ATOM 275 HG23 VAL 18 16.049 -22.208 20.672 1.00 50.41 ATOM 276 C VAL 18 13.176 -19.919 22.613 1.00 21.13 ATOM 277 O VAL 18 12.730 -19.808 23.757 1.00 54.31 ATOM 278 N THR 19 12.891 -19.047 21.642 1.00 11.11 ATOM 279 HN THR 19 13.285 -19.182 20.754 1.00 36.63 ATOM 280 CA THR 19 12.003 -17.893 21.864 1.00 25.42 ATOM 281 HA THR 19 12.440 -17.279 22.642 1.00 11.11 ATOM 282 CB THR 19 11.860 -17.030 20.582 1.00 62.40 ATOM 283 HB THR 19 11.420 -17.642 19.806 1.00 31.44 ATOM 284 OG1 THR 19 13.147 -16.568 20.132 1.00 53.41 ATOM 285 HG1 THR 19 13.840 -16.956 20.680 1.00 41.11 ATOM 286 CG2 THR 19 10.950 -15.828 20.823 1.00 45.03 ATOM 287 HG21 THR 19 10.862 -15.255 19.912 1.00 74.13 ATOM 288 HG22 THR 19 11.371 -15.207 21.600 1.00 1.35 ATOM 289 HG23 THR 19 9.971 -16.170 21.129 1.00 24.31 ATOM 290 C THR 19 10.603 -18.346 22.311 1.00 50.20 ATOM 291 O THR 19 9.963 -17.712 23.152 1.00 0.32 ATOM 292 N TRP 20 10.144 -19.458 21.742 1.00 50.52 ATOM 293 HN TRP 20 10.711 -19.920 21.091 1.00 36.63 ATOM 294 CA TRP 20 8.823 -20.020 22.049 1.00 53.21 ATOM 295 HA TRP 20 8.085 -19.260 21.829 1.00 13.21 ATOM 296 CB TRP 20 8.567 -21.235 21.142 1.00 43.05 ATOM 297 HB1 TRP 20 9.302 -21.996 21.360 1.00 36.63 ATOM 298 HB2 TRP 20 8.676 -20.931 20.110 1.00 72.24 ATOM 299 CG TRP 20 7.206 -21.853 21.289 1.00 51.13 ATOM 300 CD1 TRP 20 5.999 -21.217 21.228 1.00 15.24 ATOM 301 HD1 TRP 20 5.879 -20.153 21.081 1.00 22.32 ATOM 302 CD2 TRP 20 6.919 -23.243 21.486 1.00 52.22 ATOM 303 NE1 TRP 20 4.981 -22.126 21.382 1.00 1.21 ATOM 304 HE1 TRP 20 4.022 -21.913 21.382 1.00 24.21 ATOM 305 CE2 TRP 20 5.521 -23.377 21.545 1.00 24.04 ATOM 306 CE3 TRP 20 7.714 -24.386 21.619 1.00 24.52 ATOM 307 HE3 TRP 20 8.791 -24.324 21.581 1.00 60.35 ATOM 308 CZ2 TRP 20 4.898 -24.608 21.733 1.00 31.22 ATOM 309 HZ2 TRP 20 3.822 -24.704 21.777 1.00 15.52 ATOM 310 CZ3 TRP 20 7.096 -25.608 21.807 1.00 1.31 ATOM 311 HZ3 TRP 20 7.691 -26.502 21.915 1.00 62.34 ATOM 312 CH2 TRP 20 5.700 -25.710 21.861 1.00 33.32 ATOM 313 HH2 TRP 20 5.261 -26.685 22.012 1.00 0.42 ATOM 314 C TRP 20 8.707 -20.405 23.537 1.00 74.43 ATOM 315 O TRP 20 7.724 -20.072 24.203 1.00 44.31 ATOM 316 N LEU 21 9.724 -21.088 24.058 1.00 71.13 ATOM 317 HN LEU 21 10.470 -21.351 23.475 1.00 36.63 ATOM 318 CA LEU 21 9.760 -21.465 25.477 1.00 51.40 ATOM 319 HA LEU 21 8.865 -22.035 25.690 1.00 71.44 ATOM 320 CB LEU 21 10.988 -22.342 25.759 1.00 33.41 ATOM 321 HB1 LEU 21 10.997 -22.586 26.814 1.00 36.63 ATOM 322 HB2 LEU 21 11.875 -21.764 25.537 1.00 4.22 ATOM 323 CG LEU 21 11.060 -23.657 24.965 1.00 73.44 ATOM 324 HG LEU 21 11.088 -23.430 23.907 1.00 54.12 ATOM 325 CD1 LEU 21 12.333 -24.423 25.311 1.00 62.12 ATOM 326 HD11 LEU 21 13.195 -23.816 25.074 1.00 11.33 ATOM 327 HD12 LEU 21 12.372 -25.339 24.740 1.00 11.43 ATOM 328 HD13 LEU 21 12.339 -24.656 26.367 1.00 32.22 ATOM 329 CD2 LEU 21 9.826 -24.515 25.229 1.00 41.42 ATOM 330 HD21 LEU 21 8.942 -23.984 24.906 1.00 22.12 ATOM 331 HD22 LEU 21 9.750 -24.727 26.286 1.00 45.44 ATOM 332 HD23 LEU 21 9.907 -25.445 24.682 1.00 62.11 ATOM 333 C LEU 21 9.780 -20.220 26.388 1.00 13.40 ATOM 334 O LEU 21 9.178 -20.210 27.468 1.00 10.01 ATOM 335 N ILE 22 10.470 -19.174 25.940 1.00 11.01 ATOM 336 HN ILE 22 10.936 -19.248 25.079 1.00 36.63 ATOM 337 CA ILE 22 10.565 -17.920 26.695 1.00 13.33 ATOM 338 HA ILE 22 10.843 -18.168 27.711 1.00 35.32 ATOM 339 CB ILE 22 11.663 -16.995 26.107 1.00 73.45 ATOM 340 HB ILE 22 11.401 -16.775 25.080 1.00 54.33 ATOM 341 CG1 ILE 22 13.030 -17.706 26.131 1.00 43.11 ATOM 342 HG11 ILE 22 12.949 -18.646 25.602 1.00 36.63 ATOM 343 HG12 ILE 22 13.311 -17.903 27.156 1.00 31.02 ATOM 344 CG2 ILE 22 11.729 -15.670 26.872 1.00 2.41 ATOM 345 HG21 ILE 22 12.492 -15.039 26.438 1.00 55.15 ATOM 346 HG22 ILE 22 11.968 -15.860 27.908 1.00 71.43 ATOM 347 HG23 ILE 22 10.773 -15.168 26.811 1.00 2.51 ATOM 348 CD1 ILE 22 14.150 -16.909 25.490 1.00 63.52 ATOM 349 HD11 ILE 22 13.898 -16.699 24.460 1.00 3.13 ATOM 350 HD12 ILE 22 15.065 -17.483 25.526 1.00 12.20 ATOM 351 HD13 ILE 22 14.286 -15.981 26.025 1.00 15.44 ATOM 352 C ILE 22 9.222 -17.166 26.720 1.00 2.20 ATOM 353 O ILE 22 8.760 -16.743 27.779 1.00 33.44 ATOM 354 N THR 23 8.589 -17.016 25.555 1.00 71.12 ATOM 355 HN THR 23 8.982 -17.409 24.746 1.00 36.63 ATOM 356 CA THR 23 7.321 -16.267 25.453 1.00 52.44 ATOM 357 HA THR 23 7.486 -15.297 25.903 1.00 25.14 ATOM 358 CB THR 23 6.892 -16.036 23.978 1.00 40.40 ATOM 359 HB THR 23 7.698 -15.531 23.461 1.00 15.42 ATOM 360 OG1 THR 23 5.715 -15.210 23.926 1.00 44.31 ATOM 361 HG1 THR 23 4.928 -15.773 23.985 1.00 60.13 ATOM 362 CG2 THR 23 6.611 -17.354 23.264 1.00 34.20 ATOM 363 HG21 THR 23 6.294 -17.155 22.250 1.00 40.31 ATOM 364 HG22 THR 23 5.831 -17.889 23.786 1.00 44.34 ATOM 365 HG23 THR 23 7.509 -17.955 23.249 1.00 31.45 ATOM 366 C THR 23 6.172 -16.962 26.207 1.00 20.21 ATOM 367 O THR 23 5.220 -16.313 26.642 1.00 43.54 ATOM 368 N LEU 24 6.257 -18.286 26.352 1.00 32.51 ATOM 369 HN LEU 24 6.991 -18.768 25.911 1.00 36.63 ATOM 370 CA LEU 24 5.270 -19.048 27.135 1.00 24.15 ATOM 371 HA LEU 24 4.295 -18.622 26.938 1.00 1.43 ATOM 372 CB LEU 24 5.264 -20.518 26.689 1.00 31.31 ATOM 373 HB1 LEU 24 4.654 -21.083 27.381 1.00 36.63 ATOM 374 HB2 LEU 24 6.278 -20.891 26.747 1.00 50.11 ATOM 375 CG LEU 24 4.736 -20.772 25.265 1.00 51.11 ATOM 376 HG LEU 24 5.308 -20.179 24.563 1.00 35.52 ATOM 377 CD1 LEU 24 4.902 -22.237 24.879 1.00 42.42 ATOM 378 HD11 LEU 24 4.546 -22.387 23.870 1.00 21.23 ATOM 379 HD12 LEU 24 4.333 -22.858 25.557 1.00 50.34 ATOM 380 HD13 LEU 24 5.946 -22.508 24.934 1.00 40.21 ATOM 381 CD2 LEU 24 3.271 -20.356 25.150 1.00 11.23 ATOM 382 HD21 LEU 24 3.175 -19.304 25.374 1.00 20.50 ATOM 383 HD22 LEU 24 2.675 -20.929 25.848 1.00 44.24 ATOM 384 HD23 LEU 24 2.921 -20.543 24.144 1.00 74.41 ATOM 385 C LEU 24 5.546 -18.949 28.648 1.00 24.24 ATOM 386 O LEU 24 4.745 -19.401 29.467 1.00 15.11 ATOM 387 N GLY 25 6.686 -18.361 29.006 1.00 53.03 ATOM 388 HN GLY 25 7.303 -18.054 28.308 1.00 36.63 ATOM 389 CA GLY 25 7.028 -18.154 30.411 1.00 63.24 ATOM 390 HA1 GLY 25 6.169 -17.739 30.919 1.00 36.63 ATOM 391 HA2 GLY 25 7.837 -17.441 30.465 1.00 50.42 ATOM 392 C GLY 25 7.460 -19.427 31.133 1.00 14.15 ATOM 393 O GLY 25 7.495 -19.469 32.363 1.00 14.12 ATOM 394 N VAL 26 7.785 -20.472 30.377 1.00 15.32 ATOM 395 HN VAL 26 7.733 -20.388 29.401 1.00 36.63 ATOM 396 CA VAL 26 8.217 -21.744 30.972 1.00 75.13 ATOM 397 HA VAL 26 7.794 -21.802 31.967 1.00 10.12 ATOM 398 CB VAL 26 7.698 -22.956 30.162 1.00 72.40 ATOM 399 HB VAL 26 7.987 -23.860 30.682 1.00 62.20 ATOM 400 CG1 VAL 26 6.175 -22.924 30.088 1.00 34.42 ATOM 401 HG11 VAL 26 5.764 -22.950 31.087 1.00 61.04 ATOM 402 HG12 VAL 26 5.821 -23.780 29.534 1.00 75.24 ATOM 403 HG13 VAL 26 5.856 -22.019 29.592 1.00 22.32 ATOM 404 CG2 VAL 26 8.310 -22.996 28.761 1.00 21.51 ATOM 405 HG21 VAL 26 7.953 -23.870 28.233 1.00 54.11 ATOM 406 HG22 VAL 26 9.387 -23.039 28.837 1.00 52.11 ATOM 407 HG23 VAL 26 8.024 -22.107 28.217 1.00 74.44 ATOM 408 C VAL 26 9.743 -21.815 31.092 1.00 43.52 ATOM 409 O VAL 26 10.278 -22.473 31.986 1.00 3.52 ATOM 410 N LEU 27 10.436 -21.128 30.190 1.00 53.10 ATOM 411 HN LEU 27 9.953 -20.662 29.475 1.00 36.63 ATOM 412 CA LEU 27 11.896 -21.038 30.230 1.00 2.50 ATOM 413 HA LEU 27 12.245 -21.594 31.092 1.00 41.54 ATOM 414 CB LEU 27 12.503 -21.650 28.960 1.00 53.53 ATOM 415 HB1 LEU 27 12.157 -21.077 28.111 1.00 36.63 ATOM 416 HB2 LEU 27 12.132 -22.661 28.862 1.00 15.20 ATOM 417 CG LEU 27 14.043 -21.692 28.916 1.00 12.23 ATOM 418 HG LEU 27 14.424 -20.686 29.028 1.00 35.20 ATOM 419 CD1 LEU 27 14.598 -22.528 30.067 1.00 61.14 ATOM 420 HD11 LEU 27 14.213 -23.536 30.004 1.00 5.11 ATOM 421 HD12 LEU 27 14.301 -22.090 31.009 1.00 21.22 ATOM 422 HD13 LEU 27 15.676 -22.551 30.009 1.00 30.32 ATOM 423 CD2 LEU 27 14.531 -22.231 27.571 1.00 15.01 ATOM 424 HD21 LEU 27 15.613 -22.247 27.560 1.00 54.25 ATOM 425 HD22 LEU 27 14.176 -21.592 26.775 1.00 0.53 ATOM 426 HD23 LEU 27 14.155 -23.233 27.423 1.00 5.35 ATOM 427 C LEU 27 12.333 -19.577 30.375 1.00 73.21 ATOM 428 O LEU 27 11.758 -18.680 29.755 1.00 71.41 ATOM 429 N GLU 28 13.332 -19.339 31.212 1.00 51.54 ATOM 430 HN GLU 28 13.737 -20.091 31.692 1.00 36.63 ATOM 431 CA GLU 28 13.844 -17.984 31.441 1.00 3.12 ATOM 432 HA GLU 28 12.992 -17.324 31.535 1.00 14.01 ATOM 433 CB GLU 28 14.644 -17.939 32.746 1.00 4.43 ATOM 434 HB1 GLU 28 13.968 -18.098 33.574 1.00 36.63 ATOM 435 HB2 GLU 28 15.095 -16.961 32.847 1.00 43.44 ATOM 436 CG GLU 28 15.749 -18.985 32.825 1.00 32.01 ATOM 437 HG1 GLU 28 16.442 -18.816 32.010 1.00 36.63 ATOM 438 HG2 GLU 28 15.308 -19.967 32.719 1.00 3.11 ATOM 439 CD GLU 28 16.513 -18.935 34.137 1.00 55.20 ATOM 440 OE1 GLU 28 15.885 -19.119 35.201 1.00 11.43 ATOM 441 OE2 GLU 28 17.743 -18.721 34.107 1.00 3.23 ATOM 442 C GLU 28 14.713 -17.493 30.271 1.00 52.32 ATOM 443 O GLU 28 15.253 -18.287 29.499 1.00 15.54 ATOM 444 N SER 29 14.845 -16.176 30.162 1.00 22.53 ATOM 445 HN SER 29 14.409 -15.604 30.824 1.00 36.63 ATOM 446 CA SER 29 15.629 -15.549 29.088 1.00 73.24 ATOM 447 HA SER 29 15.390 -16.060 28.167 1.00 51.04 ATOM 448 CB SER 29 15.241 -14.068 28.945 1.00 24.03 ATOM 449 HB1 SER 29 14.221 -13.998 28.595 1.00 36.63 ATOM 450 HB2 SER 29 15.896 -13.590 28.230 1.00 72.43 ATOM 451 OG SER 29 15.344 -13.381 30.187 1.00 74.33 ATOM 452 HG SER 29 16.149 -12.839 30.189 1.00 12.42 ATOM 453 C SER 29 17.140 -15.673 29.341 1.00 53.14 ATOM 454 O SER 29 17.600 -15.562 30.482 1.00 2.12 ATOM 455 N PRO 30 17.935 -15.895 28.271 1.00 61.24 ATOM 456 CA PRO 30 19.391 -16.075 28.385 1.00 34.45 ATOM 457 HA PRO 30 19.638 -16.797 29.153 1.00 52.14 ATOM 458 CB PRO 30 19.777 -16.635 27.012 1.00 50.11 ATOM 459 HB1 PRO 30 19.729 -17.714 27.031 1.00 36.63 ATOM 460 HB2 PRO 30 20.779 -16.317 26.756 1.00 74.21 ATOM 461 CG PRO 30 18.765 -16.061 26.081 1.00 34.24 ATOM 462 HG1 PRO 30 18.643 -16.708 25.224 1.00 36.63 ATOM 463 HG2 PRO 30 19.075 -15.074 25.764 1.00 62.12 ATOM 464 CD PRO 30 17.480 -15.982 26.866 1.00 60.13 ATOM 465 HD1 PRO 30 16.886 -16.871 26.711 1.00 36.63 ATOM 466 HD2 PRO 30 16.919 -15.101 26.587 1.00 74.31 ATOM 467 C PRO 30 20.144 -14.765 28.664 1.00 31.31 ATOM 468 O PRO 30 19.575 -13.673 28.592 1.00 62.23 ATOM 469 N LYS 31 21.431 -14.884 28.976 1.00 42.32 ATOM 470 HN LYS 31 21.828 -15.781 29.018 1.00 36.63 ATOM 471 CA LYS 31 22.269 -13.718 29.272 1.00 40.34 ATOM 472 HA LYS 31 21.676 -13.027 29.855 1.00 4.31 ATOM 473 CB LYS 31 23.484 -14.146 30.104 1.00 2.23 ATOM 474 HB1 LYS 31 24.081 -13.272 30.322 1.00 36.63 ATOM 475 HB2 LYS 31 24.079 -14.838 29.523 1.00 14.13 ATOM 476 CG LYS 31 23.123 -14.821 31.426 1.00 52.41 ATOM 477 HG1 LYS 31 24.035 -15.089 31.942 1.00 36.63 ATOM 478 HG2 LYS 31 22.555 -15.716 31.215 1.00 62.24 ATOM 479 CD LYS 31 22.288 -13.907 32.327 1.00 54.22 ATOM 480 HD1 LYS 31 22.045 -14.441 33.236 1.00 36.63 ATOM 481 HD2 LYS 31 21.376 -13.645 31.810 1.00 4.13 ATOM 482 CE LYS 31 23.031 -12.625 32.689 1.00 53.41 ATOM 483 HE1 LYS 31 23.272 -12.092 31.779 1.00 36.63 ATOM 484 HE2 LYS 31 23.944 -12.883 33.204 1.00 72.41 ATOM 485 NZ LYS 31 22.221 -11.737 33.565 1.00 34.11 ATOM 486 HZ1 LYS 31 21.338 -11.471 33.085 1.00 22.10 ATOM 487 HZ2 LYS 31 22.754 -10.875 33.788 1.00 34.30 ATOM 488 HZ3 LYS 31 21.988 -12.224 34.451 1.00 71.20 ATOM 489 C LYS 31 22.734 -13.003 27.992 1.00 55.44 ATOM 490 O LYS 31 22.850 -11.778 27.961 1.00 45.02 ATOM 491 N LYS 32 22.999 -13.772 26.940 1.00 15.22 ATOM 492 HN LYS 32 22.876 -14.739 27.016 1.00 36.63 ATOM 493 CA LYS 32 23.459 -13.206 25.662 1.00 51.53 ATOM 494 HA LYS 32 23.000 -12.234 25.546 1.00 63.43 ATOM 495 CB LYS 32 24.990 -13.038 25.668 1.00 10.32 ATOM 496 HB1 LYS 32 25.265 -12.387 26.487 1.00 36.63 ATOM 497 HB2 LYS 32 25.292 -12.577 24.738 1.00 30.43 ATOM 498 CG LYS 32 25.755 -14.354 25.823 1.00 10.10 ATOM 499 HG1 LYS 32 25.334 -15.083 25.145 1.00 36.63 ATOM 500 HG2 LYS 32 25.645 -14.707 26.839 1.00 2.01 ATOM 501 CD LYS 32 27.243 -14.195 25.514 1.00 54.21 ATOM 502 HD1 LYS 32 27.350 -13.799 24.512 1.00 36.63 ATOM 503 HD2 LYS 32 27.712 -15.166 25.566 1.00 73.14 ATOM 504 CE LYS 32 27.948 -13.262 26.491 1.00 20.34 ATOM 505 HE1 LYS 32 27.431 -12.313 26.504 1.00 36.63 ATOM 506 HE2 LYS 32 28.963 -13.111 26.154 1.00 3.32 ATOM 507 NZ LYS 32 27.979 -13.814 27.872 1.00 53.14 ATOM 508 HZ1 LYS 32 28.532 -13.191 28.495 1.00 74.15 ATOM 509 HZ2 LYS 32 28.414 -14.759 27.873 1.00 61.43 ATOM 510 HZ3 LYS 32 27.015 -13.892 28.251 1.00 42.22 ATOM 511 C LYS 32 23.038 -14.090 24.477 1.00 54.35 ATOM 512 O LYS 32 22.276 -15.045 24.642 1.00 43.13 ATOM 513 N THR 33 23.536 -13.762 23.284 1.00 54.41 ATOM 514 HN THR 33 24.090 -12.959 23.204 1.00 36.63 ATOM 515 CA THR 33 23.271 -14.568 22.085 1.00 31.23 ATOM 516 HA THR 33 22.201 -14.585 21.931 1.00 51.13 ATOM 517 CB THR 33 23.930 -13.963 20.821 1.00 31.21 ATOM 518 HB THR 33 24.983 -13.816 21.020 1.00 33.42 ATOM 519 OG1 THR 33 23.338 -12.692 20.514 1.00 14.52 ATOM 520 HG1 THR 33 23.914 -12.217 19.898 1.00 35.44 ATOM 521 CG2 THR 33 23.786 -14.892 19.615 1.00 73.12 ATOM 522 HG21 THR 33 24.295 -15.824 19.814 1.00 1.22 ATOM 523 HG22 THR 33 24.220 -14.423 18.745 1.00 3.10 ATOM 524 HG23 THR 33 22.739 -15.087 19.434 1.00 51.04 ATOM 525 C THR 33 23.770 -16.006 22.259 1.00 61.34 ATOM 526 O THR 33 24.962 -16.246 22.453 1.00 44.13 ATOM 527 N ILE 34 22.844 -16.954 22.192 1.00 72.01 ATOM 528 HN ILE 34 21.910 -16.691 22.071 1.00 36.63 ATOM 529 CA ILE 34 23.173 -18.377 22.301 1.00 40.42 ATOM 530 HA ILE 34 23.836 -18.504 23.148 1.00 42.30 ATOM 531 CB ILE 34 21.894 -19.217 22.551 1.00 3.33 ATOM 532 HB ILE 34 21.246 -19.106 21.692 1.00 5.53 ATOM 533 CG1 ILE 34 21.156 -18.704 23.802 1.00 0.34 ATOM 534 HG11 ILE 34 20.945 -17.651 23.681 1.00 36.63 ATOM 535 HG12 ILE 34 21.788 -18.840 24.669 1.00 25.24 ATOM 536 CG2 ILE 34 22.238 -20.697 22.694 1.00 35.54 ATOM 537 HG21 ILE 34 22.914 -20.833 23.526 1.00 3.25 ATOM 538 HG22 ILE 34 22.711 -21.047 21.786 1.00 64.13 ATOM 539 HG23 ILE 34 21.335 -21.265 22.868 1.00 23.52 ATOM 540 CD1 ILE 34 19.844 -19.410 24.076 1.00 71.02 ATOM 541 HD11 ILE 34 19.368 -18.963 24.936 1.00 21.10 ATOM 542 HD12 ILE 34 20.031 -20.456 24.274 1.00 43.22 ATOM 543 HD13 ILE 34 19.195 -19.316 23.217 1.00 12.21 ATOM 544 C ILE 34 23.878 -18.878 21.029 1.00 2.33 ATOM 545 O ILE 34 23.300 -18.852 19.941 1.00 62.40 ATOM 546 N SER 35 25.126 -19.324 21.172 1.00 65.20 ATOM 547 HN SER 35 25.526 -19.339 22.071 1.00 36.63 ATOM 548 CA SER 35 25.922 -19.787 20.023 1.00 1.14 ATOM 549 HA SER 35 25.949 -18.982 19.301 1.00 22.41 ATOM 550 CB SER 35 27.359 -20.107 20.456 1.00 14.21 ATOM 551 HB1 SER 35 27.936 -20.406 19.592 1.00 36.63 ATOM 552 HB2 SER 35 27.346 -20.915 21.174 1.00 31.13 ATOM 553 OG SER 35 27.985 -18.977 21.053 1.00 5.33 ATOM 554 HG SER 35 28.445 -18.466 20.370 1.00 14.20 ATOM 555 C SER 35 25.295 -21.021 19.351 1.00 74.14 ATOM 556 O SER 35 25.220 -21.102 18.124 1.00 61.20 ATOM 557 N ASP 36 24.852 -21.981 20.161 1.00 11.54 ATOM 558 HN ASP 36 24.970 -21.878 21.129 1.00 36.63 ATOM 559 CA ASP 36 24.193 -23.191 19.651 1.00 54.14 ATOM 560 HA ASP 36 23.979 -23.033 18.603 1.00 34.43 ATOM 561 CB ASP 36 25.126 -24.404 19.785 1.00 63.55 ATOM 562 HB1 ASP 36 25.321 -24.585 20.834 1.00 36.63 ATOM 563 HB2 ASP 36 26.059 -24.189 19.284 1.00 10.23 ATOM 564 CG ASP 36 24.533 -25.663 19.176 1.00 14.52 ATOM 565 OD1 ASP 36 24.413 -25.728 17.933 1.00 63.31 ATOM 566 OD2 ASP 36 24.186 -26.593 19.929 1.00 23.10 ATOM 567 C ASP 36 22.861 -23.446 20.389 1.00 14.20 ATOM 568 O ASP 36 22.837 -24.040 21.473 1.00 71.23 ATOM 569 N PRO 37 21.733 -22.966 19.820 1.00 1.54 ATOM 570 CA PRO 37 20.395 -23.115 20.429 1.00 11.30 ATOM 571 HA PRO 37 20.343 -22.589 21.373 1.00 60.44 ATOM 572 CB PRO 37 19.455 -22.430 19.417 1.00 50.10 ATOM 573 HB1 PRO 37 19.194 -21.444 19.777 1.00 36.63 ATOM 574 HB2 PRO 37 18.556 -23.017 19.292 1.00 34.42 ATOM 575 CG PRO 37 20.234 -22.353 18.146 1.00 71.35 ATOM 576 HG1 PRO 37 19.922 -21.489 17.575 1.00 36.63 ATOM 577 HG2 PRO 37 20.089 -23.256 17.567 1.00 1.22 ATOM 578 CD PRO 37 21.674 -22.216 18.552 1.00 60.14 ATOM 579 HD1 PRO 37 21.929 -21.177 18.705 1.00 36.63 ATOM 580 HD2 PRO 37 22.321 -22.659 17.808 1.00 42.31 ATOM 581 C PRO 37 19.980 -24.581 20.660 1.00 70.35 ATOM 582 O PRO 37 19.325 -24.894 21.656 1.00 13.24 ATOM 583 N GLU 38 20.366 -25.471 19.747 1.00 62.24 ATOM 584 HN GLU 38 20.886 -25.164 18.972 1.00 36.63 ATOM 585 CA GLU 38 20.039 -26.901 19.870 1.00 34.15 ATOM 586 HA GLU 38 18.961 -26.988 19.882 1.00 72.33 ATOM 587 CB GLU 38 20.583 -27.675 18.659 1.00 51.23 ATOM 588 HB1 GLU 38 20.426 -28.732 18.821 1.00 36.63 ATOM 589 HB2 GLU 38 21.645 -27.487 18.573 1.00 63.44 ATOM 590 CG GLU 38 19.918 -27.290 17.339 1.00 12.21 ATOM 591 HG1 GLU 38 19.985 -26.216 17.217 1.00 36.63 ATOM 592 HG2 GLU 38 18.877 -27.577 17.380 1.00 1.10 ATOM 593 CD GLU 38 20.558 -27.959 16.131 1.00 14.42 ATOM 594 OE1 GLU 38 20.107 -29.055 15.736 1.00 30.20 ATOM 595 OE2 GLU 38 21.521 -27.389 15.572 1.00 60.24 ATOM 596 C GLU 38 20.590 -27.495 21.180 1.00 71.32 ATOM 597 O GLU 38 19.854 -28.118 21.952 1.00 41.55 ATOM 598 N GLY 39 21.883 -27.292 21.427 1.00 73.12 ATOM 599 HN GLY 39 22.433 -26.825 20.760 1.00 36.63 ATOM 600 CA GLY 39 22.495 -27.760 22.668 1.00 51.23 ATOM 601 HA1 GLY 39 23.554 -27.549 22.634 1.00 36.63 ATOM 602 HA2 GLY 39 22.357 -28.829 22.746 1.00 33.13 ATOM 603 C GLY 39 21.904 -27.093 23.909 1.00 35.32 ATOM 604 O GLY 39 21.778 -27.719 24.968 1.00 73.12 ATOM 605 N PHE 40 21.540 -25.817 23.781 1.00 33.14 ATOM 606 HN PHE 40 21.709 -25.358 22.929 1.00 36.63 ATOM 607 CA PHE 40 20.901 -25.079 24.877 1.00 73.20 ATOM 608 HA PHE 40 21.566 -25.118 25.729 1.00 63.23 ATOM 609 CB PHE 40 20.689 -23.612 24.480 1.00 44.53 ATOM 610 HB1 PHE 40 20.106 -23.574 23.571 1.00 36.63 ATOM 611 HB2 PHE 40 21.652 -23.155 24.299 1.00 71.40 ATOM 612 CG PHE 40 19.974 -22.789 25.528 1.00 70.11 ATOM 613 CD1 PHE 40 20.658 -22.295 26.632 1.00 35.44 ATOM 614 HD1 PHE 40 21.712 -22.506 26.741 1.00 4.23 ATOM 615 CD2 PHE 40 18.618 -22.508 25.407 1.00 35.12 ATOM 616 HD2 PHE 40 18.072 -22.885 24.553 1.00 13.43 ATOM 617 CE1 PHE 40 20.006 -21.539 27.590 1.00 52.23 ATOM 618 HE1 PHE 40 20.552 -21.162 28.444 1.00 21.34 ATOM 619 CE2 PHE 40 17.963 -21.753 26.363 1.00 52.22 ATOM 620 HE2 PHE 40 16.908 -21.542 26.256 1.00 41.01 ATOM 621 CZ PHE 40 18.657 -21.269 27.455 1.00 32.10 ATOM 622 HZ PHE 40 18.145 -20.678 28.202 1.00 41.33 ATOM 623 C PHE 40 19.559 -25.716 25.270 1.00 31.50 ATOM 624 O PHE 40 19.273 -25.911 26.453 1.00 51.13 ATOM 625 N LEU 41 18.737 -26.034 24.271 1.00 13.42 ATOM 626 HN LEU 41 19.009 -25.833 23.349 1.00 36.63 ATOM 627 CA LEU 41 17.436 -26.671 24.508 1.00 11.33 ATOM 628 HA LEU 41 16.877 -26.037 25.182 1.00 1.33 ATOM 629 CB LEU 41 16.665 -26.794 23.187 1.00 62.23 ATOM 630 HB1 LEU 41 15.746 -27.331 23.377 1.00 36.63 ATOM 631 HB2 LEU 41 17.264 -27.377 22.502 1.00 73.32 ATOM 632 CG LEU 41 16.309 -25.463 22.504 1.00 13.41 ATOM 633 HG LEU 41 17.214 -24.893 22.352 1.00 72.04 ATOM 634 CD1 LEU 41 15.676 -25.705 21.135 1.00 13.40 ATOM 635 HD11 LEU 41 15.429 -24.757 20.680 1.00 34.32 ATOM 636 HD12 LEU 41 14.777 -26.295 21.249 1.00 30.41 ATOM 637 HD13 LEU 41 16.374 -26.234 20.503 1.00 1.22 ATOM 638 CD2 LEU 41 15.380 -24.638 23.389 1.00 64.22 ATOM 639 HD21 LEU 41 15.866 -24.437 24.333 1.00 52.34 ATOM 640 HD22 LEU 41 14.465 -25.185 23.565 1.00 42.32 ATOM 641 HD23 LEU 41 15.151 -23.703 22.898 1.00 34.43 ATOM 642 C LEU 41 17.597 -28.057 25.155 1.00 10.23 ATOM 643 O LEU 41 16.864 -28.411 26.077 1.00 25.25 ATOM 644 N GLN 42 18.569 -28.828 24.672 1.00 10.40 ATOM 645 HN GLN 42 19.107 -28.499 23.920 1.00 36.63 ATOM 646 CA GLN 42 18.852 -30.159 25.222 1.00 54.41 ATOM 647 HA GLN 42 17.975 -30.772 25.062 1.00 54.40 ATOM 648 CB GLN 42 20.041 -30.787 24.467 1.00 11.42 ATOM 649 HB1 GLN 42 20.919 -30.179 24.638 1.00 36.63 ATOM 650 HB2 GLN 42 19.816 -30.777 23.409 1.00 12.04 ATOM 651 CG GLN 42 20.372 -32.230 24.865 1.00 60.35 ATOM 652 HG1 GLN 42 20.932 -32.687 24.061 1.00 36.63 ATOM 653 HG2 GLN 42 19.447 -32.770 25.001 1.00 33.11 ATOM 654 CD GLN 42 21.187 -32.346 26.148 1.00 42.43 ATOM 655 OE1 GLN 42 21.984 -31.472 26.482 1.00 45.22 ATOM 656 NE2 GLN 42 20.993 -33.426 26.880 1.00 10.00 ATOM 657 HE21 GLN 42 20.341 -34.086 26.566 1.00 20.10 ATOM 658 HE22 GLN 42 21.508 -33.521 27.706 1.00 11.12 ATOM 659 C GLN 42 19.138 -30.087 26.733 1.00 13.22 ATOM 660 O GLN 42 18.609 -30.880 27.514 1.00 51.53 ATOM 661 N ALA 43 19.972 -29.130 27.137 1.00 13.31 ATOM 662 HN ALA 43 20.360 -28.524 26.469 1.00 36.63 ATOM 663 CA ALA 43 20.334 -28.964 28.550 1.00 1.31 ATOM 664 HA ALA 43 20.578 -29.941 28.944 1.00 30.00 ATOM 665 CB ALA 43 21.580 -28.090 28.671 1.00 63.42 ATOM 666 HB1 ALA 43 21.363 -27.096 28.307 1.00 74.30 ATOM 667 HB2 ALA 43 22.379 -28.519 28.084 1.00 14.50 ATOM 668 HB3 ALA 43 21.887 -28.035 29.706 1.00 52.52 ATOM 669 C ALA 43 19.183 -28.370 29.385 1.00 60.43 ATOM 670 O ALA 43 18.945 -28.792 30.519 1.00 1.30 ATOM 671 N SER 44 18.465 -27.402 28.815 1.00 52.42 ATOM 672 HN SER 44 18.647 -27.161 27.881 1.00 36.63 ATOM 673 CA SER 44 17.405 -26.683 29.547 1.00 70.44 ATOM 674 HA SER 44 17.788 -26.462 30.534 1.00 63.23 ATOM 675 CB SER 44 17.077 -25.357 28.848 1.00 32.20 ATOM 676 HB1 SER 44 17.956 -24.728 28.848 1.00 36.63 ATOM 677 HB2 SER 44 16.280 -24.858 29.379 1.00 50.11 ATOM 678 OG SER 44 16.667 -25.565 27.507 1.00 44.42 ATOM 679 HG SER 44 17.390 -25.338 26.912 1.00 73.12 ATOM 680 C SER 44 16.122 -27.514 29.704 1.00 22.11 ATOM 681 O SER 44 15.365 -27.315 30.653 1.00 20.22 ATOM 682 N LEU 45 15.874 -28.434 28.775 1.00 44.34 ATOM 683 HN LEU 45 16.491 -28.524 28.017 1.00 36.63 ATOM 684 CA LEU 45 14.688 -29.304 28.840 1.00 41.32 ATOM 685 HA LEU 45 13.933 -28.802 29.430 1.00 5.42 ATOM 686 CB LEU 45 14.139 -29.537 27.425 1.00 34.43 ATOM 687 HB1 LEU 45 13.271 -30.177 27.500 1.00 36.63 ATOM 688 HB2 LEU 45 14.897 -30.055 26.851 1.00 4.33 ATOM 689 CG LEU 45 13.735 -28.266 26.659 1.00 12.44 ATOM 690 HG LEU 45 14.593 -27.610 26.592 1.00 63.30 ATOM 691 CD1 LEU 45 13.300 -28.607 25.235 1.00 53.31 ATOM 692 HD11 LEU 45 14.104 -29.120 24.726 1.00 13.34 ATOM 693 HD12 LEU 45 13.061 -27.697 24.702 1.00 21.22 ATOM 694 HD13 LEU 45 12.429 -29.246 25.265 1.00 34.22 ATOM 695 CD2 LEU 45 12.628 -27.520 27.402 1.00 52.14 ATOM 696 HD21 LEU 45 11.763 -28.159 27.497 1.00 75.31 ATOM 697 HD22 LEU 45 12.359 -26.629 26.853 1.00 5.35 ATOM 698 HD23 LEU 45 12.979 -27.242 28.386 1.00 23.51 ATOM 699 C LEU 45 15.011 -30.657 29.500 1.00 3.24 ATOM 700 O LEU 45 14.131 -31.503 29.675 1.00 52.45 ATOM 701 N LYS 46 16.272 -30.832 29.886 1.00 25.41 ATOM 702 HN LYS 46 16.886 -30.069 29.835 1.00 36.63 ATOM 703 CA LYS 46 16.784 -32.116 30.382 1.00 54.41 ATOM 704 HA LYS 46 16.662 -32.841 29.591 1.00 30.44 ATOM 705 CB LYS 46 18.281 -31.974 30.684 1.00 33.35 ATOM 706 HB1 LYS 46 18.403 -31.309 31.528 1.00 36.63 ATOM 707 HB2 LYS 46 18.765 -31.534 29.823 1.00 24.21 ATOM 708 CG LYS 46 18.985 -33.287 31.004 1.00 11.13 ATOM 709 HG1 LYS 46 18.834 -33.975 30.182 1.00 36.63 ATOM 710 HG2 LYS 46 18.560 -33.705 31.907 1.00 44.10 ATOM 711 CD LYS 46 20.482 -33.079 31.210 1.00 4.44 ATOM 712 HD1 LYS 46 20.632 -32.474 32.094 1.00 36.63 ATOM 713 HD2 LYS 46 20.886 -32.567 30.351 1.00 24.20 ATOM 714 CE LYS 46 21.221 -34.399 31.385 1.00 1.53 ATOM 715 HE1 LYS 46 20.994 -35.040 30.545 1.00 36.63 ATOM 716 HE2 LYS 46 20.884 -34.869 32.298 1.00 71.43 ATOM 717 NZ LYS 46 22.695 -34.204 31.461 1.00 54.35 ATOM 718 HZ1 LYS 46 22.945 -33.679 32.322 1.00 33.31 ATOM 719 HZ2 LYS 46 23.029 -33.667 30.635 1.00 32.04 ATOM 720 HZ3 LYS 46 23.181 -35.125 31.477 1.00 71.41 ATOM 721 C LYS 46 16.032 -32.624 31.631 1.00 1.03 ATOM 722 O LYS 46 15.775 -33.820 31.764 1.00 5.42 ATOM 723 N ASP 47 15.686 -31.716 32.540 1.00 75.24 ATOM 724 HN ASP 47 15.902 -30.773 32.376 1.00 36.63 ATOM 725 CA ASP 47 14.993 -32.088 33.784 1.00 21.50 ATOM 726 HA ASP 47 15.540 -32.910 34.226 1.00 41.31 ATOM 727 CB ASP 47 15.008 -30.912 34.767 1.00 71.22 ATOM 728 HB1 ASP 47 16.016 -30.776 35.136 1.00 36.63 ATOM 729 HB2 ASP 47 14.354 -31.135 35.600 1.00 15.42 ATOM 730 CG ASP 47 14.546 -29.613 34.128 1.00 44.31 ATOM 731 OD1 ASP 47 15.401 -28.742 33.877 1.00 24.24 ATOM 732 OD2 ASP 47 13.334 -29.466 33.863 1.00 33.13 ATOM 733 C ASP 47 13.545 -32.549 33.537 1.00 43.25 ATOM 734 O ASP 47 12.948 -33.227 34.378 1.00 10.23 ATOM 735 N GLY 48 12.981 -32.162 32.397 1.00 13.11 ATOM 736 HN GLY 48 13.509 -31.638 31.757 1.00 36.63 ATOM 737 CA GLY 48 11.603 -32.525 32.078 1.00 22.31 ATOM 738 HA1 GLY 48 11.426 -33.541 32.404 1.00 36.63 ATOM 739 HA2 GLY 48 11.476 -32.482 31.005 1.00 70.04 ATOM 740 C GLY 48 10.562 -31.611 32.732 1.00 54.03 ATOM 741 O GLY 48 9.424 -31.522 32.262 1.00 54.10 ATOM 742 N VAL 49 10.949 -30.927 33.811 1.00 42.54 ATOM 743 HN VAL 49 11.871 -31.027 34.131 1.00 36.63 ATOM 744 CA VAL 49 10.048 -30.013 34.521 1.00 71.32 ATOM 745 HA VAL 49 9.171 -30.573 34.818 1.00 62.30 ATOM 746 CB VAL 49 10.717 -29.435 35.797 1.00 1.03 ATOM 747 HB VAL 49 11.552 -28.819 35.490 1.00 63.10 ATOM 748 CG1 VAL 49 9.742 -28.552 36.574 1.00 63.03 ATOM 749 HG11 VAL 49 8.877 -29.133 36.861 1.00 31.35 ATOM 750 HG12 VAL 49 9.429 -27.725 35.952 1.00 4.12 ATOM 751 HG13 VAL 49 10.227 -28.170 37.461 1.00 64.21 ATOM 752 CG2 VAL 49 11.260 -30.561 36.682 1.00 3.32 ATOM 753 HG21 VAL 49 11.719 -30.139 37.565 1.00 31.05 ATOM 754 HG22 VAL 49 11.998 -31.129 36.133 1.00 25.11 ATOM 755 HG23 VAL 49 10.451 -31.214 36.976 1.00 61.11 ATOM 756 C VAL 49 9.615 -28.860 33.605 1.00 41.34 ATOM 757 O VAL 49 8.432 -28.504 33.544 1.00 35.33 ATOM 758 N VAL 50 10.579 -28.288 32.882 1.00 20.04 ATOM 759 HN VAL 50 11.513 -28.574 33.021 1.00 36.63 ATOM 760 CA VAL 50 10.286 -27.238 31.899 1.00 62.12 ATOM 761 HA VAL 50 9.803 -26.425 32.424 1.00 3.11 ATOM 762 CB VAL 50 11.578 -26.689 31.234 1.00 14.53 ATOM 763 HB VAL 50 12.050 -27.497 30.692 1.00 1.23 ATOM 764 CG1 VAL 50 11.247 -25.578 30.235 1.00 15.23 ATOM 765 HG11 VAL 50 10.764 -24.759 30.749 1.00 34.42 ATOM 766 HG12 VAL 50 10.585 -25.962 29.472 1.00 23.52 ATOM 767 HG13 VAL 50 12.158 -25.224 29.771 1.00 20.21 ATOM 768 CG2 VAL 50 12.564 -26.188 32.293 1.00 72.33 ATOM 769 HG21 VAL 50 13.457 -25.817 31.808 1.00 13.35 ATOM 770 HG22 VAL 50 12.827 -26.999 32.956 1.00 33.32 ATOM 771 HG23 VAL 50 12.108 -25.390 32.863 1.00 51.23 ATOM 772 C VAL 50 9.331 -27.758 30.807 1.00 11.52 ATOM 773 O VAL 50 8.423 -27.047 30.372 1.00 43.41 ATOM 774 N LEU 51 9.534 -29.009 30.382 1.00 32.53 ATOM 775 HN LEU 51 10.291 -29.515 30.744 1.00 36.63 ATOM 776 CA LEU 51 8.656 -29.650 29.391 1.00 34.44 ATOM 777 HA LEU 51 8.665 -29.039 28.500 1.00 11.04 ATOM 778 CB LEU 51 9.172 -31.054 29.037 1.00 63.42 ATOM 779 HB1 LEU 51 8.410 -31.560 28.461 1.00 36.63 ATOM 780 HB2 LEU 51 9.317 -31.600 29.960 1.00 55.44 ATOM 781 CG LEU 51 10.485 -31.102 28.240 1.00 10.42 ATOM 782 HG LEU 51 11.252 -30.575 28.791 1.00 31.13 ATOM 783 CD1 LEU 51 10.947 -32.546 28.057 1.00 74.32 ATOM 784 HD11 LEU 51 11.878 -32.559 27.511 1.00 63.11 ATOM 785 HD12 LEU 51 10.200 -33.101 27.507 1.00 53.41 ATOM 786 HD13 LEU 51 11.094 -33.004 29.025 1.00 1.13 ATOM 787 CD2 LEU 51 10.319 -30.416 26.884 1.00 51.34 ATOM 788 HD21 LEU 51 11.250 -30.468 26.337 1.00 1.04 ATOM 789 HD22 LEU 51 10.050 -29.381 27.033 1.00 23.55 ATOM 790 HD23 LEU 51 9.542 -30.911 26.318 1.00 11.34 ATOM 791 C LEU 51 7.211 -29.753 29.904 1.00 3.43 ATOM 792 O LEU 51 6.262 -29.453 29.180 1.00 63.51 ATOM 793 N CYS 52 7.052 -30.188 31.153 1.00 2.50 ATOM 794 HN CYS 52 7.844 -30.446 31.674 1.00 36.63 ATOM 795 CA CYS 52 5.725 -30.296 31.770 1.00 30.22 ATOM 796 HA CYS 52 5.150 -31.003 31.188 1.00 13.53 ATOM 797 CB CYS 52 5.842 -30.817 33.208 1.00 41.53 ATOM 798 HB1 CYS 52 4.858 -30.845 33.655 1.00 36.63 ATOM 799 HB2 CYS 52 6.471 -30.148 33.778 1.00 54.44 ATOM 800 SG CYS 52 6.551 -32.477 33.336 1.00 31.11 ATOM 801 HG CYS 52 7.729 -32.472 32.726 1.00 41.32 ATOM 802 C CYS 52 4.999 -28.943 31.755 1.00 24.32 ATOM 803 O CYS 52 3.870 -28.836 31.275 1.00 61.22 ATOM 804 N ARG 53 5.672 -27.908 32.259 1.00 33.14 ATOM 805 HN ARG 53 6.569 -28.059 32.628 1.00 36.63 ATOM 806 CA ARG 53 5.112 -26.550 32.274 1.00 1.35 ATOM 807 HA ARG 53 4.189 -26.583 32.838 1.00 24.34 ATOM 808 CB ARG 53 6.083 -25.587 32.969 1.00 5.25 ATOM 809 HB1 ARG 53 5.659 -24.592 32.957 1.00 36.63 ATOM 810 HB2 ARG 53 7.016 -25.578 32.422 1.00 22.14 ATOM 811 CG ARG 53 6.380 -25.966 34.417 1.00 13.31 ATOM 812 HG1 ARG 53 6.799 -26.963 34.439 1.00 36.63 ATOM 813 HG2 ARG 53 5.458 -25.952 34.981 1.00 51.31 ATOM 814 CD ARG 53 7.366 -25.003 35.066 1.00 2.31 ATOM 815 HD1 ARG 53 6.950 -24.005 35.036 1.00 36.63 ATOM 816 HD2 ARG 53 8.290 -25.023 34.506 1.00 34.24 ATOM 817 NE ARG 53 7.645 -25.360 36.455 1.00 64.01 ATOM 818 HE ARG 53 7.174 -26.134 36.826 1.00 12.11 ATOM 819 CZ ARG 53 8.487 -24.723 37.224 1.00 75.41 ATOM 820 NH1 ARG 53 9.124 -23.682 36.793 1.00 11.15 ATOM 821 HH11 ARG 53 8.977 -23.355 35.865 1.00 25.12 ATOM 822 HH12 ARG 53 9.776 -23.212 37.390 1.00 23.31 ATOM 823 NH2 ARG 53 8.678 -25.124 38.433 1.00 71.54 ATOM 824 HH21 ARG 53 8.186 -25.922 38.777 1.00 22.01 ATOM 825 HH22 ARG 53 9.321 -24.636 39.023 1.00 24.51 ATOM 826 C ARG 53 4.801 -26.059 30.849 1.00 24.42 ATOM 827 O ARG 53 3.808 -25.360 30.623 1.00 32.42 ATOM 828 N LEU 54 5.663 -26.426 29.898 1.00 42.41 ATOM 829 HN LEU 54 6.480 -26.901 30.160 1.00 36.63 ATOM 830 CA LEU 54 5.435 -26.142 28.476 1.00 11.32 ATOM 831 HA LEU 54 5.447 -25.069 28.343 1.00 14.44 ATOM 832 CB LEU 54 6.562 -26.765 27.633 1.00 41.13 ATOM 833 HB1 LEU 54 6.675 -27.796 27.935 1.00 36.63 ATOM 834 HB2 LEU 54 7.482 -26.243 27.859 1.00 42.44 ATOM 835 CG LEU 54 6.354 -26.736 26.109 1.00 22.52 ATOM 836 HG LEU 54 5.423 -27.233 25.874 1.00 34.02 ATOM 837 CD1 LEU 54 6.250 -25.303 25.599 1.00 24.00 ATOM 838 HD11 LEU 54 5.422 -24.806 26.085 1.00 3.12 ATOM 839 HD12 LEU 54 6.084 -25.312 24.531 1.00 41.43 ATOM 840 HD13 LEU 54 7.166 -24.771 25.816 1.00 2.52 ATOM 841 CD2 LEU 54 7.477 -27.490 25.400 1.00 32.43 ATOM 842 HD21 LEU 54 7.500 -28.513 25.750 1.00 13.24 ATOM 843 HD22 LEU 54 8.425 -27.017 25.613 1.00 32.04 ATOM 844 HD23 LEU 54 7.303 -27.479 24.333 1.00 32.41 ATOM 845 C LEU 54 4.075 -26.684 28.023 1.00 30.53 ATOM 846 O LEU 54 3.239 -25.946 27.493 1.00 51.15 ATOM 847 N LEU 55 3.853 -27.973 28.259 1.00 2.23 ATOM 848 HN LEU 55 4.555 -28.506 28.693 1.00 36.63 ATOM 849 CA LEU 55 2.596 -28.620 27.888 1.00 52.21 ATOM 850 HA LEU 55 2.458 -28.481 26.825 1.00 73.11 ATOM 851 CB LEU 55 2.670 -30.126 28.184 1.00 71.54 ATOM 852 HB1 LEU 55 2.756 -30.254 29.255 1.00 36.63 ATOM 853 HB2 LEU 55 3.567 -30.515 27.723 1.00 44.34 ATOM 854 CG LEU 55 1.473 -30.959 27.693 1.00 12.01 ATOM 855 HG LEU 55 0.573 -30.603 28.178 1.00 55.43 ATOM 856 CD1 LEU 55 1.282 -30.802 26.185 1.00 42.11 ATOM 857 HD11 LEU 55 1.146 -29.758 25.946 1.00 43.43 ATOM 858 HD12 LEU 55 0.408 -31.357 25.873 1.00 3.01 ATOM 859 HD13 LEU 55 2.151 -31.181 25.668 1.00 43.20 ATOM 860 CD2 LEU 55 1.653 -32.430 28.062 1.00 4.21 ATOM 861 HD21 LEU 55 1.696 -32.527 29.137 1.00 21.11 ATOM 862 HD22 LEU 55 2.571 -32.804 27.631 1.00 43.44 ATOM 863 HD23 LEU 55 0.819 -33.003 27.682 1.00 20.22 ATOM 864 C LEU 55 1.404 -27.984 28.624 1.00 23.11 ATOM 865 O LEU 55 0.308 -27.892 28.077 1.00 14.35 ATOM 866 N GLU 56 1.626 -27.531 29.858 1.00 64.11 ATOM 867 HN GLU 56 2.517 -27.645 30.255 1.00 36.63 ATOM 868 CA GLU 56 0.567 -26.880 30.644 1.00 35.32 ATOM 869 HA GLU 56 -0.309 -27.513 30.593 1.00 25.14 ATOM 870 CB GLU 56 0.990 -26.756 32.113 1.00 31.33 ATOM 871 HB1 GLU 56 0.221 -26.220 32.652 1.00 36.63 ATOM 872 HB2 GLU 56 1.910 -26.189 32.163 1.00 21.35 ATOM 873 CG GLU 56 1.215 -28.094 32.809 1.00 72.32 ATOM 874 HG1 GLU 56 2.048 -28.597 32.338 1.00 36.63 ATOM 875 HG2 GLU 56 0.325 -28.697 32.696 1.00 24.32 ATOM 876 CD GLU 56 1.512 -27.938 34.290 1.00 74.41 ATOM 877 OE1 GLU 56 0.549 -27.883 35.086 1.00 64.53 ATOM 878 OE2 GLU 56 2.701 -27.858 34.666 1.00 51.55 ATOM 879 C GLU 56 0.194 -25.491 30.085 1.00 33.11 ATOM 880 O GLU 56 -0.922 -25.012 30.290 1.00 51.34 ATOM 881 N ARG 57 1.133 -24.841 29.394 1.00 21.23 ATOM 882 HN ARG 57 2.030 -25.233 29.322 1.00 36.63 ATOM 883 CA ARG 57 0.857 -23.550 28.740 1.00 23.53 ATOM 884 HA ARG 57 0.250 -22.963 29.415 1.00 63.33 ATOM 885 CB ARG 57 2.166 -22.793 28.467 1.00 12.31 ATOM 886 HB1 ARG 57 1.969 -21.996 27.761 1.00 36.63 ATOM 887 HB2 ARG 57 2.879 -23.477 28.028 1.00 2.34 ATOM 888 CG ARG 57 2.802 -22.179 29.710 1.00 44.15 ATOM 889 HG1 ARG 57 3.717 -21.678 29.426 1.00 36.63 ATOM 890 HG2 ARG 57 3.029 -22.967 30.414 1.00 62.23 ATOM 891 CD ARG 57 1.875 -21.169 30.381 1.00 35.44 ATOM 892 HD1 ARG 57 2.418 -20.669 31.171 1.00 36.63 ATOM 893 HD2 ARG 57 1.032 -21.697 30.805 1.00 23.55 ATOM 894 NE ARG 57 1.379 -20.166 29.438 1.00 63.14 ATOM 895 HE ARG 57 1.439 -20.369 28.483 1.00 73.44 ATOM 896 CZ ARG 57 0.848 -19.030 29.790 1.00 44.54 ATOM 897 NH1 ARG 57 0.751 -18.702 31.037 1.00 45.11 ATOM 898 HH11 ARG 57 1.082 -19.322 31.741 1.00 50.21 ATOM 899 HH12 ARG 57 0.346 -17.826 31.293 1.00 2.12 ATOM 900 NH2 ARG 57 0.408 -18.222 28.886 1.00 12.40 ATOM 901 HH21 ARG 57 0.473 -18.472 27.923 1.00 33.23 ATOM 902 HH22 ARG 57 0.004 -17.351 29.152 1.00 61.41 ATOM 903 C ARG 57 0.081 -23.732 27.425 1.00 43.02 ATOM 904 O ARG 57 -0.390 -22.761 26.829 1.00 21.45 ATOM 905 N LEU 58 -0.029 -24.979 26.979 1.00 10.55 ATOM 906 HN LEU 58 0.384 -25.699 27.498 1.00 36.63 ATOM 907 CA LEU 58 -0.727 -25.314 25.734 1.00 21.44 ATOM 908 HA LEU 58 -0.988 -24.393 25.230 1.00 31.22 ATOM 909 CB LEU 58 0.217 -26.128 24.841 1.00 11.51 ATOM 910 HB1 LEU 58 -0.248 -26.250 23.873 1.00 36.63 ATOM 911 HB2 LEU 58 0.347 -27.106 25.285 1.00 61.31 ATOM 912 CG LEU 58 1.608 -25.497 24.633 1.00 4.24 ATOM 913 HG LEU 58 2.057 -25.319 25.600 1.00 54.03 ATOM 914 CD1 LEU 58 2.526 -26.442 23.869 1.00 33.13 ATOM 915 HD11 LEU 58 3.493 -25.977 23.736 1.00 3.04 ATOM 916 HD12 LEU 58 2.098 -26.662 22.902 1.00 73.40 ATOM 917 HD13 LEU 58 2.644 -27.359 24.427 1.00 42.54 ATOM 918 CD2 LEU 58 1.495 -24.153 23.916 1.00 53.15 ATOM 919 HD21 LEU 58 2.480 -23.727 23.789 1.00 51.32 ATOM 920 HD22 LEU 58 0.888 -23.480 24.504 1.00 34.13 ATOM 921 HD23 LEU 58 1.038 -24.296 22.948 1.00 63.54 ATOM 922 C LEU 58 -2.014 -26.108 26.025 1.00 54.35 ATOM 923 O LEU 58 -3.118 -25.675 25.694 1.00 52.43 ATOM 924 N LEU 59 -1.851 -27.280 26.637 1.00 12.22 ATOM 925 HN LEU 59 -0.944 -27.602 26.795 1.00 36.63 ATOM 926 CA LEU 59 -2.975 -28.108 27.082 1.00 42.11 ATOM 927 HA LEU 59 -3.888 -27.694 26.672 1.00 61.14 ATOM 928 CB LEU 59 -2.804 -29.548 26.569 1.00 71.24 ATOM 929 HB1 LEU 59 -3.620 -30.143 26.954 1.00 36.63 ATOM 930 HB2 LEU 59 -1.879 -29.939 26.973 1.00 70.44 ATOM 931 CG LEU 59 -2.768 -29.713 25.040 1.00 64.52 ATOM 932 HG LEU 59 -2.016 -29.054 24.630 1.00 43.33 ATOM 933 CD1 LEU 59 -2.389 -31.145 24.664 1.00 43.24 ATOM 934 HD11 LEU 59 -3.137 -31.829 25.040 1.00 70.45 ATOM 935 HD12 LEU 59 -1.429 -31.389 25.096 1.00 41.15 ATOM 936 HD13 LEU 59 -2.331 -31.231 23.589 1.00 22.25 ATOM 937 CD2 LEU 59 -4.115 -29.338 24.423 1.00 51.04 ATOM 938 HD21 LEU 59 -4.885 -29.993 24.809 1.00 63.14 ATOM 939 HD22 LEU 59 -4.062 -29.443 23.349 1.00 33.15 ATOM 940 HD23 LEU 59 -4.354 -28.314 24.672 1.00 74.01 ATOM 941 C LEU 59 -3.068 -28.102 28.624 1.00 1.11 ATOM 942 O LEU 59 -2.427 -28.915 29.298 1.00 34.30 ATOM 943 N PRO 60 -3.856 -27.174 29.202 1.00 21.25 ATOM 944 CA PRO 60 -3.970 -27.010 30.669 1.00 2.33 ATOM 945 HA PRO 60 -3.042 -26.649 31.088 1.00 71.23 ATOM 946 CB PRO 60 -5.050 -25.927 30.824 1.00 21.24 ATOM 947 HB1 PRO 60 -4.802 -25.281 31.655 1.00 36.63 ATOM 948 HB2 PRO 60 -6.011 -26.390 30.998 1.00 20.23 ATOM 949 CG PRO 60 -5.032 -25.181 29.532 1.00 5.14 ATOM 950 HG1 PRO 60 -4.279 -24.406 29.564 1.00 36.63 ATOM 951 HG2 PRO 60 -6.005 -24.750 29.342 1.00 43.42 ATOM 952 CD PRO 60 -4.691 -26.198 28.475 1.00 22.12 ATOM 953 HD1 PRO 60 -4.134 -25.735 27.674 1.00 36.63 ATOM 954 HD2 PRO 60 -5.587 -26.666 28.092 1.00 13.04 ATOM 955 C PRO 60 -4.392 -28.292 31.418 1.00 51.45 ATOM 956 O PRO 60 -5.372 -28.951 31.058 1.00 55.25 ATOM 957 N GLY 61 -3.643 -28.634 32.468 1.00 43.51 ATOM 958 HN GLY 61 -2.838 -28.110 32.666 1.00 36.63 ATOM 959 CA GLY 61 -4.001 -29.756 33.336 1.00 20.43 ATOM 960 HA1 GLY 61 -5.048 -29.672 33.588 1.00 36.63 ATOM 961 HA2 GLY 61 -3.423 -29.681 34.245 1.00 54.45 ATOM 962 C GLY 61 -3.755 -31.135 32.724 1.00 54.53 ATOM 963 O GLY 61 -4.341 -32.125 33.162 1.00 21.11 ATOM 964 N THR 62 -2.896 -31.213 31.712 1.00 13.32 ATOM 965 HN THR 62 -2.491 -30.391 31.364 1.00 36.63 ATOM 966 CA THR 62 -2.568 -32.506 31.081 1.00 74.12 ATOM 967 HA THR 62 -3.473 -33.100 31.061 1.00 40.45 ATOM 968 CB THR 62 -2.090 -32.315 29.623 1.00 5.11 ATOM 969 HB THR 62 -1.173 -31.739 29.632 1.00 30.25 ATOM 970 OG1 THR 62 -3.084 -31.594 28.885 1.00 72.54 ATOM 971 HG1 THR 62 -2.758 -30.711 28.697 1.00 51.21 ATOM 972 CG2 THR 62 -1.822 -33.653 28.933 1.00 74.24 ATOM 973 HG21 THR 62 -1.503 -33.476 27.916 1.00 52.30 ATOM 974 HG22 THR 62 -2.725 -34.246 28.927 1.00 44.52 ATOM 975 HG23 THR 62 -1.047 -34.186 29.465 1.00 61.34 ATOM 976 C THR 62 -1.500 -33.273 31.877 1.00 33.20 ATOM 977 O THR 62 -1.432 -34.502 31.825 1.00 30.01 ATOM 978 N ILE 63 -0.674 -32.541 32.619 1.00 64.32 ATOM 979 HN ILE 63 -0.764 -31.568 32.611 1.00 36.63 ATOM 980 CA ILE 63 0.363 -33.150 33.459 1.00 53.53 ATOM 981 HA ILE 63 0.788 -33.986 32.915 1.00 72.12 ATOM 982 CB ILE 63 1.500 -32.137 33.765 1.00 21.12 ATOM 983 HB ILE 63 1.070 -31.305 34.305 1.00 14.42 ATOM 984 CG1 ILE 63 2.120 -31.612 32.456 1.00 50.03 ATOM 985 HG11 ILE 63 2.871 -30.872 32.692 1.00 36.63 ATOM 986 HG12 ILE 63 1.346 -31.150 31.861 1.00 54.32 ATOM 987 CG2 ILE 63 2.573 -32.769 34.655 1.00 64.41 ATOM 988 HG21 ILE 63 2.980 -33.642 34.165 1.00 14.12 ATOM 989 HG22 ILE 63 2.134 -33.059 35.599 1.00 25.11 ATOM 990 HG23 ILE 63 3.363 -32.054 34.832 1.00 74.34 ATOM 991 CD1 ILE 63 2.774 -32.683 31.605 1.00 74.55 ATOM 992 HD11 ILE 63 3.178 -32.232 30.710 1.00 31.34 ATOM 993 HD12 ILE 63 2.041 -33.428 31.332 1.00 23.41 ATOM 994 HD13 ILE 63 3.572 -33.149 32.163 1.00 62.43 ATOM 995 C ILE 63 -0.237 -33.667 34.780 1.00 33.14 ATOM 996 O ILE 63 -0.729 -32.887 35.600 1.00 44.23 ATOM 997 N GLU 64 -0.204 -34.985 34.973 1.00 31.33 ATOM 998 HN GLU 64 0.196 -35.556 34.283 1.00 36.63 ATOM 999 CA GLU 64 -0.755 -35.607 36.182 1.00 21.41 ATOM 1000 HA GLU 64 -1.632 -35.044 36.475 1.00 71.35 ATOM 1001 CB GLU 64 -1.175 -37.052 35.881 1.00 10.32 ATOM 1002 HB1 GLU 64 -0.309 -37.598 35.531 1.00 36.63 ATOM 1003 HB2 GLU 64 -1.920 -37.041 35.097 1.00 63.30 ATOM 1004 CG GLU 64 -1.754 -37.794 37.082 1.00 63.33 ATOM 1005 HG1 GLU 64 -2.659 -37.293 37.400 1.00 36.63 ATOM 1006 HG2 GLU 64 -1.032 -37.769 37.886 1.00 11.20 ATOM 1007 CD GLU 64 -2.079 -39.244 36.769 1.00 31.53 ATOM 1008 OE1 GLU 64 -1.153 -40.085 36.803 1.00 71.31 ATOM 1009 OE2 GLU 64 -3.255 -39.552 36.485 1.00 74.32 ATOM 1010 C GLU 64 0.255 -35.581 37.341 1.00 55.12 ATOM 1011 O GLU 64 -0.088 -35.227 38.471 1.00 15.21 ATOM 1012 N LYS 65 1.502 -35.964 37.060 1.00 33.41 ATOM 1013 HN LYS 65 1.719 -36.263 36.149 1.00 36.63 ATOM 1014 CA LYS 65 2.555 -35.953 38.084 1.00 4.54 ATOM 1015 HA LYS 65 2.230 -35.290 38.875 1.00 61.53 ATOM 1016 CB LYS 65 2.757 -37.356 38.679 1.00 75.33 ATOM 1017 HB1 LYS 65 2.992 -38.045 37.879 1.00 36.63 ATOM 1018 HB2 LYS 65 1.837 -37.671 39.154 1.00 14.03 ATOM 1019 CG LYS 65 3.881 -37.426 39.717 1.00 3.02 ATOM 1020 HG1 LYS 65 4.814 -37.154 39.242 1.00 36.63 ATOM 1021 HG2 LYS 65 3.950 -38.439 40.089 1.00 23.11 ATOM 1022 CD LYS 65 3.628 -36.484 40.893 1.00 71.52 ATOM 1023 HD1 LYS 65 2.773 -36.843 41.448 1.00 36.63 ATOM 1024 HD2 LYS 65 3.416 -35.496 40.510 1.00 2.25 ATOM 1025 CE LYS 65 4.822 -36.392 41.835 1.00 31.13 ATOM 1026 HE1 LYS 65 5.682 -36.043 41.280 1.00 36.63 ATOM 1027 HE2 LYS 65 5.028 -37.373 42.236 1.00 11.33 ATOM 1028 NZ LYS 65 4.563 -35.456 42.960 1.00 21.50 ATOM 1029 HZ1 LYS 65 4.229 -34.540 42.595 1.00 41.40 ATOM 1030 HZ2 LYS 65 5.433 -35.299 43.508 1.00 53.51 ATOM 1031 HZ3 LYS 65 3.836 -35.846 43.594 1.00 21.02 ATOM 1032 C LYS 65 3.893 -35.431 37.539 1.00 4.23 ATOM 1033 O LYS 65 4.537 -36.073 36.707 1.00 74.44 ATOM 1034 N VAL 66 4.305 -34.264 38.027 1.00 32.12 ATOM 1035 HN VAL 66 3.696 -33.746 38.594 1.00 36.63 ATOM 1036 CA VAL 66 5.637 -33.723 37.741 1.00 54.11 ATOM 1037 HA VAL 66 6.124 -34.380 37.032 1.00 60.33 ATOM 1038 CB VAL 66 5.558 -32.302 37.118 1.00 74.51 ATOM 1039 HB VAL 66 4.923 -32.357 36.243 1.00 34.53 ATOM 1040 CG1 VAL 66 4.926 -31.309 38.092 1.00 12.41 ATOM 1041 HG11 VAL 66 5.530 -31.245 38.987 1.00 25.21 ATOM 1042 HG12 VAL 66 3.932 -31.641 38.353 1.00 14.25 ATOM 1043 HG13 VAL 66 4.869 -30.335 37.628 1.00 13.50 ATOM 1044 CG2 VAL 66 6.942 -31.822 36.667 1.00 21.40 ATOM 1045 HG21 VAL 66 6.859 -30.834 36.236 1.00 33.31 ATOM 1046 HG22 VAL 66 7.338 -32.503 35.927 1.00 61.10 ATOM 1047 HG23 VAL 66 7.609 -31.788 37.517 1.00 54.23 ATOM 1048 C VAL 66 6.477 -33.669 39.025 1.00 72.15 ATOM 1049 O VAL 66 5.945 -33.445 40.114 1.00 24.41 ATOM 1050 N TYR 67 7.779 -33.893 38.898 1.00 2.12 ATOM 1051 HN TYR 67 8.136 -34.121 38.015 1.00 36.63 ATOM 1052 CA TYR 67 8.697 -33.817 40.040 1.00 41.14 ATOM 1053 HA TYR 67 8.105 -33.801 40.945 1.00 61.13 ATOM 1054 CB TYR 67 9.615 -35.048 40.070 1.00 74.44 ATOM 1055 HB1 TYR 67 10.242 -35.001 40.950 1.00 36.63 ATOM 1056 HB2 TYR 67 10.244 -35.042 39.189 1.00 71.35 ATOM 1057 CG TYR 67 8.861 -36.367 40.097 1.00 34.21 ATOM 1058 CD1 TYR 67 8.481 -36.995 38.915 1.00 41.32 ATOM 1059 HD1 TYR 67 8.734 -36.535 37.971 1.00 64.35 ATOM 1060 CD2 TYR 67 8.523 -36.980 41.300 1.00 23.41 ATOM 1061 HD2 TYR 67 8.809 -36.509 42.230 1.00 41.31 ATOM 1062 CE1 TYR 67 7.787 -38.188 38.931 1.00 24.51 ATOM 1063 HE1 TYR 67 7.502 -38.657 38.002 1.00 63.22 ATOM 1064 CE2 TYR 67 7.830 -38.176 41.321 1.00 12.30 ATOM 1065 HE2 TYR 67 7.573 -38.635 42.263 1.00 20.14 ATOM 1066 CZ TYR 67 7.464 -38.775 40.134 1.00 43.44 ATOM 1067 OH TYR 67 6.770 -39.966 40.149 1.00 12.43 ATOM 1068 HH TYR 67 7.031 -40.498 39.380 1.00 13.12 ATOM 1069 C TYR 67 9.538 -32.534 39.975 1.00 11.53 ATOM 1070 O TYR 67 10.535 -32.478 39.251 1.00 53.05 ATOM 1071 N PRO 68 9.139 -31.475 40.717 1.00 33.51 ATOM 1072 CA PRO 68 9.880 -30.201 40.740 1.00 4.24 ATOM 1073 HA PRO 68 9.914 -29.754 39.754 1.00 65.33 ATOM 1074 CB PRO 68 9.051 -29.309 41.683 1.00 63.15 ATOM 1075 HB1 PRO 68 8.427 -28.647 41.099 1.00 36.63 ATOM 1076 HB2 PRO 68 9.709 -28.724 42.311 1.00 12.11 ATOM 1077 CG PRO 68 8.227 -30.258 42.488 1.00 33.14 ATOM 1078 HG1 PRO 68 7.302 -29.784 42.786 1.00 36.63 ATOM 1079 HG2 PRO 68 8.782 -30.578 43.360 1.00 71.42 ATOM 1080 CD PRO 68 7.948 -31.431 41.586 1.00 24.22 ATOM 1081 HD1 PRO 68 7.053 -31.259 41.003 1.00 36.63 ATOM 1082 HD2 PRO 68 7.855 -32.340 42.162 1.00 74.31 ATOM 1083 C PRO 68 11.316 -30.371 41.263 1.00 4.32 ATOM 1084 O PRO 68 12.214 -29.604 40.912 1.00 14.45 ATOM 1085 N GLU 69 11.518 -31.377 42.115 1.00 64.12 ATOM 1086 HN GLU 69 10.745 -31.886 42.440 1.00 36.63 ATOM 1087 CA GLU 69 12.857 -31.744 42.586 1.00 62.20 ATOM 1088 HA GLU 69 13.577 -31.120 42.074 1.00 25.13 ATOM 1089 CB GLU 69 12.990 -31.519 44.099 1.00 51.44 ATOM 1090 HB1 GLU 69 13.991 -31.797 44.401 1.00 36.63 ATOM 1091 HB2 GLU 69 12.285 -32.164 44.605 1.00 10.03 ATOM 1092 CG GLU 69 12.735 -30.089 44.558 1.00 53.03 ATOM 1093 HG1 GLU 69 11.714 -29.822 44.321 1.00 36.63 ATOM 1094 HG2 GLU 69 13.411 -29.427 44.033 1.00 63.11 ATOM 1095 CD GLU 69 12.952 -29.926 46.055 1.00 74.13 ATOM 1096 OE1 GLU 69 14.074 -29.550 46.461 1.00 54.02 ATOM 1097 OE2 GLU 69 12.014 -30.203 46.833 1.00 64.24 ATOM 1098 C GLU 69 13.165 -33.219 42.268 1.00 64.15 ATOM 1099 O GLU 69 12.953 -34.098 43.103 1.00 40.55 ATOM 1100 N PRO 70 13.630 -33.524 41.045 1.00 15.22 ATOM 1101 CA PRO 70 14.029 -34.890 40.684 1.00 21.12 ATOM 1102 HA PRO 70 13.290 -35.613 41.003 1.00 73.53 ATOM 1103 CB PRO 70 14.076 -34.845 39.151 1.00 2.34 ATOM 1104 HB1 PRO 70 13.118 -35.140 38.750 1.00 36.63 ATOM 1105 HB2 PRO 70 14.843 -35.517 38.787 1.00 5.34 ATOM 1106 CG PRO 70 14.390 -33.421 38.819 1.00 52.22 ATOM 1107 HG1 PRO 70 13.955 -33.162 37.864 1.00 36.63 ATOM 1108 HG2 PRO 70 15.463 -33.280 38.790 1.00 43.34 ATOM 1109 CD PRO 70 13.781 -32.580 39.918 1.00 35.45 ATOM 1110 HD1 PRO 70 12.820 -32.195 39.609 1.00 36.63 ATOM 1111 HD2 PRO 70 14.443 -31.767 40.183 1.00 25.54 ATOM 1112 C PRO 70 15.399 -35.271 41.278 1.00 61.42 ATOM 1113 O PRO 70 16.436 -34.729 40.884 1.00 25.51 ATOM 1114 N ARG 71 15.398 -36.193 42.243 1.00 11.42 ATOM 1115 HN ARG 71 14.546 -36.596 42.517 1.00 36.63 ATOM 1116 CA ARG 71 16.640 -36.630 42.894 1.00 32.05 ATOM 1117 HA ARG 71 17.275 -35.760 43.001 1.00 4.11 ATOM 1118 CB ARG 71 16.364 -37.213 44.295 1.00 74.23 ATOM 1119 HB1 ARG 71 17.225 -37.793 44.606 1.00 36.63 ATOM 1120 HB2 ARG 71 15.510 -37.873 44.233 1.00 73.21 ATOM 1121 CG ARG 71 16.081 -36.171 45.380 1.00 74.23 ATOM 1122 HG1 ARG 71 16.851 -35.413 45.338 1.00 36.63 ATOM 1123 HG2 ARG 71 16.114 -36.656 46.345 1.00 14.52 ATOM 1124 CD ARG 71 14.721 -35.500 45.222 1.00 64.23 ATOM 1125 HD1 ARG 71 13.951 -36.258 45.258 1.00 36.63 ATOM 1126 HD2 ARG 71 14.688 -35.000 44.264 1.00 34.04 ATOM 1127 NE ARG 71 14.475 -34.519 46.279 1.00 5.52 ATOM 1128 HE ARG 71 15.224 -34.288 46.865 1.00 41.21 ATOM 1129 CZ ARG 71 13.330 -33.928 46.487 1.00 21.42 ATOM 1130 NH1 ARG 71 12.304 -34.189 45.741 1.00 75.31 ATOM 1131 HH11 ARG 71 12.385 -34.847 44.991 1.00 42.32 ATOM 1132 HH12 ARG 71 11.433 -33.742 45.918 1.00 52.41 ATOM 1133 NH2 ARG 71 13.218 -33.061 47.440 1.00 12.21 ATOM 1134 HH21 ARG 71 14.008 -32.846 48.012 1.00 64.32 ATOM 1135 HH22 ARG 71 12.350 -32.600 47.595 1.00 35.33 ATOM 1136 C ARG 71 17.386 -37.669 42.042 1.00 2.02 ATOM 1137 O ARG 71 18.609 -37.608 41.900 1.00 23.31 ATOM 1138 N SER 72 16.647 -38.623 41.483 1.00 65.45 ATOM 1139 HN SER 72 15.675 -38.613 41.624 1.00 36.63 ATOM 1140 CA SER 72 17.242 -39.694 40.667 1.00 73.45 ATOM 1141 HA SER 72 18.316 -39.654 40.795 1.00 22.24 ATOM 1142 CB SER 72 16.743 -41.064 41.142 1.00 63.53 ATOM 1143 HB1 SER 72 15.664 -41.089 41.090 1.00 36.63 ATOM 1144 HB2 SER 72 17.056 -41.223 42.164 1.00 2.25 ATOM 1145 OG SER 72 17.262 -42.113 40.339 1.00 65.12 ATOM 1146 HG SER 72 16.719 -42.901 40.455 1.00 42.45 ATOM 1147 C SER 72 16.922 -39.530 39.174 1.00 71.44 ATOM 1148 O SER 72 15.939 -38.883 38.802 1.00 61.31 ATOM 1149 N GLU 73 17.759 -40.136 38.326 1.00 44.23 ATOM 1150 HN GLU 73 18.527 -40.619 38.692 1.00 36.63 ATOM 1151 CA GLU 73 17.570 -40.111 36.867 1.00 12.21 ATOM 1152 HA GLU 73 17.733 -39.099 36.528 1.00 34.23 ATOM 1153 CB GLU 73 18.597 -41.035 36.192 1.00 33.54 ATOM 1154 HB1 GLU 73 18.534 -42.015 36.646 1.00 36.63 ATOM 1155 HB2 GLU 73 19.587 -40.635 36.362 1.00 41.25 ATOM 1156 CG GLU 73 18.398 -41.194 34.684 1.00 71.31 ATOM 1157 HG1 GLU 73 18.493 -40.223 34.218 1.00 36.63 ATOM 1158 HG2 GLU 73 17.403 -41.577 34.505 1.00 2.11 ATOM 1159 CD GLU 73 19.401 -42.144 34.049 1.00 53.31 ATOM 1160 OE1 GLU 73 20.363 -41.667 33.407 1.00 5.04 ATOM 1161 OE2 GLU 73 19.235 -43.373 34.197 1.00 10.23 ATOM 1162 C GLU 73 16.148 -40.543 36.475 1.00 14.13 ATOM 1163 O GLU 73 15.526 -39.950 35.593 1.00 31.41 ATOM 1164 N SER 74 15.641 -41.574 37.151 1.00 3.41 ATOM 1165 HN SER 74 16.188 -41.993 37.849 1.00 36.63 ATOM 1166 CA SER 74 14.291 -42.100 36.898 1.00 63.41 ATOM 1167 HA SER 74 14.281 -42.526 35.906 1.00 10.44 ATOM 1168 CB SER 74 13.959 -43.198 37.915 1.00 2.11 ATOM 1169 HB1 SER 74 14.668 -44.008 37.816 1.00 36.63 ATOM 1170 HB2 SER 74 12.961 -43.572 37.733 1.00 74.51 ATOM 1171 OG SER 74 14.025 -42.692 39.240 1.00 44.35 ATOM 1172 HG SER 74 13.330 -43.097 39.772 1.00 65.13 ATOM 1173 C SER 74 13.224 -40.998 36.983 1.00 52.22 ATOM 1174 O SER 74 12.361 -40.887 36.112 1.00 53.35 ATOM 1175 N GLU 75 13.286 -40.188 38.040 1.00 53.11 ATOM 1176 HN GLU 75 14.004 -40.321 38.695 1.00 36.63 ATOM 1177 CA GLU 75 12.317 -39.105 38.250 1.00 63.12 ATOM 1178 HA GLU 75 11.329 -39.541 38.208 1.00 40.20 ATOM 1179 CB GLU 75 12.515 -38.468 39.635 1.00 61.14 ATOM 1180 HB1 GLU 75 11.757 -37.712 39.784 1.00 36.63 ATOM 1181 HB2 GLU 75 13.487 -37.999 39.669 1.00 3.15 ATOM 1182 CG GLU 75 12.423 -39.470 40.784 1.00 64.30 ATOM 1183 HG1 GLU 75 13.156 -40.250 40.624 1.00 36.63 ATOM 1184 HG2 GLU 75 11.434 -39.909 40.786 1.00 44.34 ATOM 1185 CD GLU 75 12.677 -38.837 42.143 1.00 61.14 ATOM 1186 OE1 GLU 75 11.702 -38.549 42.867 1.00 15.23 ATOM 1187 OE2 GLU 75 13.858 -38.631 42.495 1.00 11.24 ATOM 1188 C GLU 75 12.425 -38.040 37.146 1.00 15.10 ATOM 1189 O GLU 75 11.409 -37.581 36.618 1.00 40.31 ATOM 1190 N CYS 76 13.657 -37.664 36.791 1.00 62.41 ATOM 1191 HN CYS 76 14.427 -38.017 37.291 1.00 36.63 ATOM 1192 CA CYS 76 13.892 -36.729 35.676 1.00 1.11 ATOM 1193 HA CYS 76 13.449 -35.778 35.937 1.00 21.31 ATOM 1194 CB CYS 76 15.396 -36.536 35.441 1.00 71.51 ATOM 1195 HB1 CYS 76 15.539 -35.828 34.637 1.00 36.63 ATOM 1196 HB2 CYS 76 15.834 -37.482 35.157 1.00 22.24 ATOM 1197 SG CYS 76 16.311 -35.927 36.880 1.00 31.54 ATOM 1198 HG CYS 76 17.558 -36.370 36.780 1.00 22.22 ATOM 1199 C CYS 76 13.241 -37.249 34.387 1.00 41.00 ATOM 1200 O CYS 76 12.490 -36.539 33.714 1.00 25.44 ATOM 1201 N LEU 77 13.537 -38.506 34.058 1.00 14.31 ATOM 1202 HN LEU 77 14.175 -39.003 34.614 1.00 36.63 ATOM 1203 CA LEU 77 12.942 -39.170 32.895 1.00 32.41 ATOM 1204 HA LEU 77 13.229 -38.614 32.014 1.00 2.52 ATOM 1205 CB LEU 77 13.479 -40.605 32.774 1.00 72.25 ATOM 1206 HB1 LEU 77 12.976 -41.086 31.946 1.00 36.63 ATOM 1207 HB2 LEU 77 13.227 -41.136 33.682 1.00 22.12 ATOM 1208 CG LEU 77 14.998 -40.724 32.548 1.00 55.20 ATOM 1209 HG LEU 77 15.515 -40.207 33.345 1.00 54.32 ATOM 1210 CD1 LEU 77 15.443 -42.185 32.578 1.00 53.54 ATOM 1211 HD11 LEU 77 16.514 -42.238 32.438 1.00 30.14 ATOM 1212 HD12 LEU 77 14.950 -42.732 31.787 1.00 13.25 ATOM 1213 HD13 LEU 77 15.185 -42.621 33.532 1.00 21.31 ATOM 1214 CD2 LEU 77 15.398 -40.069 31.229 1.00 0.45 ATOM 1215 HD21 LEU 77 15.151 -39.018 31.260 1.00 54.01 ATOM 1216 HD22 LEU 77 14.865 -40.539 30.415 1.00 31.21 ATOM 1217 HD23 LEU 77 16.461 -40.183 31.076 1.00 73.12 ATOM 1218 C LEU 77 11.407 -39.194 32.987 1.00 3.51 ATOM 1219 O LEU 77 10.717 -38.956 31.997 1.00 44.51 ATOM 1220 N SER 78 10.886 -39.473 34.184 1.00 13.24 ATOM 1221 HN SER 78 11.494 -39.640 34.935 1.00 36.63 ATOM 1222 CA SER 78 9.431 -39.536 34.417 1.00 21.34 ATOM 1223 HA SER 78 9.036 -40.325 33.792 1.00 14.31 ATOM 1224 CB SER 78 9.132 -39.880 35.885 1.00 4.33 ATOM 1225 HB1 SER 78 8.065 -39.834 36.056 1.00 36.63 ATOM 1226 HB2 SER 78 9.629 -39.170 36.529 1.00 2.45 ATOM 1227 OG SER 78 9.588 -41.185 36.212 1.00 71.44 ATOM 1228 HG SER 78 10.498 -41.135 36.527 1.00 20.21 ATOM 1229 C SER 78 8.730 -38.224 34.038 1.00 32.22 ATOM 1230 O SER 78 7.623 -38.238 33.490 1.00 52.02 ATOM 1231 N ASN 79 9.374 -37.093 34.329 1.00 52.52 ATOM 1232 HN ASN 79 10.213 -37.138 34.838 1.00 36.63 ATOM 1233 CA ASN 79 8.856 -35.782 33.917 1.00 52.42 ATOM 1234 HA ASN 79 7.881 -35.654 34.365 1.00 20.14 ATOM 1235 CB ASN 79 9.784 -34.658 34.399 1.00 40.42 ATOM 1236 HB1 ASN 79 9.406 -33.711 34.041 1.00 36.63 ATOM 1237 HB2 ASN 79 10.773 -34.818 33.994 1.00 55.11 ATOM 1238 CG ASN 79 9.891 -34.586 35.910 1.00 61.44 ATOM 1239 OD1 ASN 79 8.971 -34.954 36.626 1.00 71.44 ATOM 1240 ND2 ASN 79 11.012 -34.101 36.406 1.00 44.24 ATOM 1241 HD21 ASN 79 11.713 -33.819 35.779 1.00 63.22 ATOM 1242 HD22 ASN 79 11.093 -34.033 37.378 1.00 62.54 ATOM 1243 C ASN 79 8.714 -35.715 32.389 1.00 11.23 ATOM 1244 O ASN 79 7.720 -35.215 31.859 1.00 23.14 ATOM 1245 N ILE 80 9.716 -36.239 31.689 1.00 31.21 ATOM 1246 HN ILE 80 10.492 -36.604 32.170 1.00 36.63 ATOM 1247 CA ILE 80 9.701 -36.281 30.226 1.00 31.42 ATOM 1248 HA ILE 80 9.450 -35.291 29.869 1.00 24.23 ATOM 1249 CB ILE 80 11.094 -36.661 29.660 1.00 31.34 ATOM 1250 HB ILE 80 11.313 -37.678 29.956 1.00 34.21 ATOM 1251 CG1 ILE 80 12.179 -35.728 30.229 1.00 30.14 ATOM 1252 HG11 ILE 80 12.161 -35.782 31.309 1.00 36.63 ATOM 1253 HG12 ILE 80 11.970 -34.714 29.923 1.00 60.04 ATOM 1254 CG2 ILE 80 11.086 -36.604 28.130 1.00 53.42 ATOM 1255 HG21 ILE 80 10.859 -35.598 27.805 1.00 40.11 ATOM 1256 HG22 ILE 80 10.336 -37.282 27.748 1.00 2.44 ATOM 1257 HG23 ILE 80 12.056 -36.893 27.752 1.00 75.35 ATOM 1258 CD1 ILE 80 13.585 -36.066 29.769 1.00 32.10 ATOM 1259 HD11 ILE 80 13.645 -35.977 28.695 1.00 74.00 ATOM 1260 HD12 ILE 80 13.825 -37.079 30.060 1.00 64.45 ATOM 1261 HD13 ILE 80 14.286 -35.385 30.227 1.00 60.31 ATOM 1262 C ILE 80 8.649 -37.278 29.706 1.00 23.13 ATOM 1263 O ILE 80 7.972 -37.013 28.713 1.00 64.53 ATOM 1264 N ARG 81 8.500 -38.421 30.390 1.00 61.32 ATOM 1265 HN ARG 81 9.060 -38.579 31.181 1.00 36.63 ATOM 1266 CA ARG 81 7.513 -39.440 29.986 1.00 32.34 ATOM 1267 HA ARG 81 7.728 -39.716 28.963 1.00 33.31 ATOM 1268 CB ARG 81 7.596 -40.700 30.870 1.00 62.11 ATOM 1269 HB1 ARG 81 6.967 -41.467 30.439 1.00 36.63 ATOM 1270 HB2 ARG 81 7.222 -40.458 31.854 1.00 20.01 ATOM 1271 CG ARG 81 9.001 -41.273 31.029 1.00 4.13 ATOM 1272 HG1 ARG 81 8.935 -42.206 31.574 1.00 36.63 ATOM 1273 HG2 ARG 81 9.598 -40.575 31.595 1.00 72.32 ATOM 1274 CD ARG 81 9.692 -41.532 29.693 1.00 63.32 ATOM 1275 HD1 ARG 81 10.737 -41.741 29.884 1.00 36.63 ATOM 1276 HD2 ARG 81 9.616 -40.641 29.087 1.00 61.15 ATOM 1277 NE ARG 81 9.116 -42.651 28.948 1.00 42.41 ATOM 1278 HE ARG 81 8.167 -42.855 29.082 1.00 74.02 ATOM 1279 CZ ARG 81 9.796 -43.381 28.101 1.00 75.22 ATOM 1280 NH1 ARG 81 11.057 -43.156 27.909 1.00 40.11 ATOM 1281 HH11 ARG 81 11.513 -42.431 28.407 1.00 31.22 ATOM 1282 HH12 ARG 81 11.569 -43.704 27.243 1.00 60.23 ATOM 1283 NH2 ARG 81 9.222 -44.341 27.458 1.00 44.23 ATOM 1284 HH21 ARG 81 8.252 -44.528 27.602 1.00 41.11 ATOM 1285 HH22 ARG 81 9.754 -44.902 26.827 1.00 22.14 ATOM 1286 C ARG 81 6.088 -38.875 30.049 1.00 45.44 ATOM 1287 O ARG 81 5.263 -39.146 29.177 1.00 12.43 ATOM 1288 N GLU 82 5.808 -38.093 31.091 1.00 70.11 ATOM 1289 HN GLU 82 6.495 -37.956 31.780 1.00 36.63 ATOM 1290 CA GLU 82 4.504 -37.437 31.243 1.00 33.23 ATOM 1291 HA GLU 82 3.746 -38.207 31.254 1.00 23.51 ATOM 1292 CB GLU 82 4.455 -36.663 32.569 1.00 13.12 ATOM 1293 HB1 GLU 82 5.170 -35.853 32.521 1.00 36.63 ATOM 1294 HB2 GLU 82 4.740 -37.329 33.372 1.00 12.53 ATOM 1295 CG GLU 82 3.085 -36.070 32.899 1.00 62.43 ATOM 1296 HG1 GLU 82 2.740 -35.504 32.045 1.00 36.63 ATOM 1297 HG2 GLU 82 3.192 -35.407 33.742 1.00 2.11 ATOM 1298 CD GLU 82 2.038 -37.121 33.240 1.00 31.10 ATOM 1299 OE1 GLU 82 1.849 -37.418 34.439 1.00 42.13 ATOM 1300 OE2 GLU 82 1.401 -37.663 32.317 1.00 60.43 ATOM 1301 C GLU 82 4.230 -36.482 30.067 1.00 2.44 ATOM 1302 O GLU 82 3.153 -36.503 29.471 1.00 1.11 ATOM 1303 N PHE 83 5.219 -35.651 29.739 1.00 53.42 ATOM 1304 HN PHE 83 6.020 -35.620 30.306 1.00 36.63 ATOM 1305 CA PHE 83 5.141 -34.760 28.571 1.00 74.14 ATOM 1306 HA PHE 83 4.332 -34.063 28.741 1.00 51.52 ATOM 1307 CB PHE 83 6.456 -33.977 28.436 1.00 62.45 ATOM 1308 HB1 PHE 83 7.280 -34.678 28.399 1.00 36.63 ATOM 1309 HB2 PHE 83 6.577 -33.343 29.303 1.00 10.41 ATOM 1310 CG PHE 83 6.534 -33.099 27.210 1.00 34.14 ATOM 1311 CD1 PHE 83 7.316 -33.466 26.123 1.00 35.31 ATOM 1312 HD1 PHE 83 7.873 -34.393 26.158 1.00 3.43 ATOM 1313 CD2 PHE 83 5.826 -31.908 27.147 1.00 52.24 ATOM 1314 HD2 PHE 83 5.211 -31.611 27.985 1.00 15.13 ATOM 1315 CE1 PHE 83 7.392 -32.661 25.003 1.00 10.33 ATOM 1316 HE1 PHE 83 8.005 -32.958 24.164 1.00 52.11 ATOM 1317 CE2 PHE 83 5.899 -31.100 26.028 1.00 4.22 ATOM 1318 HE2 PHE 83 5.343 -30.175 25.993 1.00 44.33 ATOM 1319 CZ PHE 83 6.682 -31.478 24.955 1.00 55.21 ATOM 1320 HZ PHE 83 6.741 -30.847 24.080 1.00 53.23 ATOM 1321 C PHE 83 4.852 -35.553 27.280 1.00 74.11 ATOM 1322 O PHE 83 3.912 -35.248 26.540 1.00 14.54 ATOM 1323 N LEU 84 5.665 -36.577 27.026 1.00 53.00 ATOM 1324 HN LEU 84 6.417 -36.744 27.633 1.00 36.63 ATOM 1325 CA LEU 84 5.482 -37.456 25.862 1.00 51.21 ATOM 1326 HA LEU 84 5.572 -36.851 24.969 1.00 61.42 ATOM 1327 CB LEU 84 6.574 -38.531 25.851 1.00 14.32 ATOM 1328 HB1 LEU 84 6.390 -39.191 25.015 1.00 36.63 ATOM 1329 HB2 LEU 84 6.491 -39.103 26.764 1.00 11.51 ATOM 1330 CG LEU 84 8.015 -38.004 25.738 1.00 34.33 ATOM 1331 HG LEU 84 8.187 -37.282 26.523 1.00 44.22 ATOM 1332 CD1 LEU 84 9.023 -39.138 25.921 1.00 12.15 ATOM 1333 HD11 LEU 84 8.843 -39.907 25.183 1.00 35.51 ATOM 1334 HD12 LEU 84 8.919 -39.557 26.911 1.00 62.02 ATOM 1335 HD13 LEU 84 10.025 -38.752 25.800 1.00 32.14 ATOM 1336 CD2 LEU 84 8.226 -37.297 24.401 1.00 63.34 ATOM 1337 HD21 LEU 84 8.069 -37.996 23.592 1.00 11.12 ATOM 1338 HD22 LEU 84 9.233 -36.911 24.351 1.00 62.02 ATOM 1339 HD23 LEU 84 7.525 -36.479 24.310 1.00 54.54 ATOM 1340 C LEU 84 4.100 -38.132 25.871 1.00 61.13 ATOM 1341 O LEU 84 3.505 -38.376 24.817 1.00 23.11 ATOM 1342 N ARG 85 3.605 -38.437 27.068 1.00 14.50 ATOM 1343 HN ARG 85 4.130 -38.219 27.867 1.00 36.63 ATOM 1344 CA ARG 85 2.303 -39.084 27.233 1.00 53.12 ATOM 1345 HA ARG 85 2.262 -39.923 26.550 1.00 15.20 ATOM 1346 CB ARG 85 2.166 -39.609 28.668 1.00 24.50 ATOM 1347 HB1 ARG 85 2.211 -38.768 29.348 1.00 36.63 ATOM 1348 HB2 ARG 85 2.997 -40.265 28.879 1.00 34.30 ATOM 1349 CG ARG 85 0.872 -40.371 28.942 1.00 63.44 ATOM 1350 HG1 ARG 85 0.653 -41.010 28.096 1.00 36.63 ATOM 1351 HG2 ARG 85 0.066 -39.661 29.075 1.00 50.31 ATOM 1352 CD ARG 85 0.986 -41.230 30.198 1.00 70.31 ATOM 1353 HD1 ARG 85 1.672 -42.043 30.000 1.00 36.63 ATOM 1354 HD2 ARG 85 0.011 -41.635 30.431 1.00 64.15 ATOM 1355 NE ARG 85 1.467 -40.465 31.350 1.00 54.21 ATOM 1356 HE ARG 85 1.029 -39.611 31.542 1.00 32.33 ATOM 1357 CZ ARG 85 2.432 -40.852 32.143 1.00 4.44 ATOM 1358 NH1 ARG 85 3.058 -41.966 31.929 1.00 3.41 ATOM 1359 HH11 ARG 85 2.803 -42.540 31.155 1.00 2.01 ATOM 1360 HH12 ARG 85 3.799 -42.248 32.538 1.00 4.12 ATOM 1361 NH2 ARG 85 2.765 -40.117 33.151 1.00 31.52 ATOM 1362 HH21 ARG 85 2.282 -39.258 33.317 1.00 11.31 ATOM 1363 HH22 ARG 85 3.492 -40.410 33.764 1.00 14.00 ATOM 1364 C ARG 85 1.158 -38.118 26.897 1.00 13.25 ATOM 1365 O ARG 85 0.219 -38.478 26.192 1.00 12.41 ATOM 1366 N GLY 86 1.252 -36.886 27.394 1.00 12.31 ATOM 1367 HN GLY 86 2.014 -36.657 27.970 1.00 36.63 ATOM 1368 CA GLY 86 0.238 -35.879 27.103 1.00 0.12 ATOM 1369 HA1 GLY 86 0.488 -34.971 27.634 1.00 36.63 ATOM 1370 HA2 GLY 86 -0.718 -36.236 27.458 1.00 62.22 ATOM 1371 C GLY 86 0.123 -35.561 25.614 1.00 63.22 ATOM 1372 O GLY 86 -0.963 -35.639 25.035 1.00 62.43 ATOM 1373 N CYS 87 1.246 -35.210 24.990 1.00 52.11 ATOM 1374 HN CYS 87 2.076 -35.128 25.512 1.00 36.63 ATOM 1375 CA CYS 87 1.279 -34.923 23.548 1.00 24.12 ATOM 1376 HA CYS 87 0.554 -34.146 23.350 1.00 63.55 ATOM 1377 CB CYS 87 2.668 -34.417 23.143 1.00 2.34 ATOM 1378 HB1 CYS 87 2.673 -34.204 22.082 1.00 36.63 ATOM 1379 HB2 CYS 87 3.399 -35.183 23.355 1.00 15.13 ATOM 1380 SG CYS 87 3.185 -32.914 24.008 1.00 11.10 ATOM 1381 HG CYS 87 4.337 -32.515 23.486 1.00 24.53 ATOM 1382 C CYS 87 0.912 -36.164 22.716 1.00 41.14 ATOM 1383 O CYS 87 0.133 -36.082 21.764 1.00 30.43 ATOM 1384 N GLY 88 1.476 -37.312 23.090 1.00 4.14 ATOM 1385 HN GLY 88 2.093 -37.313 23.852 1.00 36.63 ATOM 1386 CA GLY 88 1.205 -38.560 22.381 1.00 10.10 ATOM 1387 HA1 GLY 88 1.854 -39.327 22.777 1.00 36.63 ATOM 1388 HA2 GLY 88 1.438 -38.420 21.335 1.00 3.12 ATOM 1389 C GLY 88 -0.243 -39.038 22.500 1.00 23.12 ATOM 1390 O GLY 88 -0.777 -39.644 21.571 1.00 51.33 ATOM 1391 N ALA 89 -0.877 -38.784 23.645 1.00 3.45 ATOM 1392 HN ALA 89 -0.395 -38.323 24.364 1.00 36.63 ATOM 1393 CA ALA 89 -2.270 -39.199 23.870 1.00 15.22 ATOM 1394 HA ALA 89 -2.422 -40.141 23.361 1.00 62.20 ATOM 1395 CB ALA 89 -2.517 -39.427 25.360 1.00 32.41 ATOM 1396 HB1 ALA 89 -2.385 -38.495 25.895 1.00 41.34 ATOM 1397 HB2 ALA 89 -1.815 -40.157 25.735 1.00 4.42 ATOM 1398 HB3 ALA 89 -3.525 -39.787 25.510 1.00 73.54 ATOM 1399 C ALA 89 -3.276 -38.173 23.321 1.00 34.03 ATOM 1400 O ALA 89 -4.084 -38.484 22.445 1.00 22.24 ATOM 1401 N SER 90 -3.218 -36.949 23.842 1.00 32.50 ATOM 1402 HN SER 90 -2.520 -36.748 24.502 1.00 36.63 ATOM 1403 CA SER 90 -4.167 -35.889 23.462 1.00 23.32 ATOM 1404 HA SER 90 -5.167 -36.276 23.605 1.00 45.34 ATOM 1405 CB SER 90 -3.978 -34.662 24.369 1.00 54.30 ATOM 1406 HB1 SER 90 -2.983 -34.264 24.228 1.00 36.63 ATOM 1407 HB2 SER 90 -4.102 -34.957 25.400 1.00 61.01 ATOM 1408 OG SER 90 -4.920 -33.644 24.077 1.00 50.34 ATOM 1409 HG SER 90 -5.420 -33.439 24.881 1.00 23.11 ATOM 1410 C SER 90 -4.006 -35.475 21.992 1.00 53.32 ATOM 1411 O SER 90 -4.953 -35.535 21.204 1.00 43.34 ATOM 1412 N LEU 91 -2.794 -35.068 21.627 1.00 60.31 ATOM 1413 HN LEU 91 -2.068 -35.098 22.286 1.00 36.63 ATOM 1414 CA LEU 91 -2.505 -34.574 20.275 1.00 72.52 ATOM 1415 HA LEU 91 -3.382 -34.048 19.924 1.00 22.12 ATOM 1416 CB LEU 91 -1.333 -33.589 20.336 1.00 54.25 ATOM 1417 HB1 LEU 91 -1.032 -33.355 19.325 1.00 36.63 ATOM 1418 HB2 LEU 91 -0.506 -34.078 20.834 1.00 1.14 ATOM 1419 CG LEU 91 -1.632 -32.268 21.066 1.00 71.35 ATOM 1420 HG LEU 91 -2.160 -32.481 21.984 1.00 21.20 ATOM 1421 CD1 LEU 91 -0.342 -31.538 21.426 1.00 54.51 ATOM 1422 HD11 LEU 91 -0.578 -30.619 21.942 1.00 74.13 ATOM 1423 HD12 LEU 91 0.213 -31.312 20.525 1.00 21.35 ATOM 1424 HD13 LEU 91 0.259 -32.166 22.068 1.00 54.35 ATOM 1425 CD2 LEU 91 -2.528 -31.382 20.203 1.00 14.33 ATOM 1426 HD21 LEU 91 -2.741 -30.461 20.726 1.00 23.34 ATOM 1427 HD22 LEU 91 -3.454 -31.899 19.997 1.00 21.45 ATOM 1428 HD23 LEU 91 -2.025 -31.160 19.271 1.00 3.14 ATOM 1429 C LEU 91 -2.195 -35.713 19.290 1.00 75.10 ATOM 1430 O LEU 91 -2.341 -35.545 18.079 1.00 11.31 ATOM 1431 N ARG 92 -1.742 -36.856 19.815 1.00 61.41 ATOM 1432 HN ARG 92 -1.589 -36.903 20.780 1.00 36.63 ATOM 1433 CA ARG 92 -1.463 -38.047 18.992 1.00 4.34 ATOM 1434 HA ARG 92 -1.157 -38.837 19.662 1.00 14.54 ATOM 1435 CB ARG 92 -2.752 -38.486 18.257 1.00 25.23 ATOM 1436 HB1 ARG 92 -2.715 -38.123 17.238 1.00 36.63 ATOM 1437 HB2 ARG 92 -3.599 -38.034 18.751 1.00 45.43 ATOM 1438 CG ARG 92 -2.990 -40.000 18.215 1.00 3.11 ATOM 1439 HG1 ARG 92 -3.955 -40.186 17.763 1.00 36.63 ATOM 1440 HG2 ARG 92 -2.993 -40.381 19.227 1.00 34.31 ATOM 1441 CD ARG 92 -1.922 -40.743 17.417 1.00 3.14 ATOM 1442 HD1 ARG 92 -0.967 -40.609 17.907 1.00 36.63 ATOM 1443 HD2 ARG 92 -1.877 -40.322 16.423 1.00 32.14 ATOM 1444 NE ARG 92 -2.205 -42.172 17.311 1.00 13.04 ATOM 1445 HE ARG 92 -3.111 -42.473 17.530 1.00 42.14 ATOM 1446 CZ ARG 92 -1.339 -43.067 16.926 1.00 44.41 ATOM 1447 NH1 ARG 92 -0.116 -42.735 16.663 1.00 32.12 ATOM 1448 HH11 ARG 92 0.172 -41.789 16.754 1.00 64.34 ATOM 1449 HH12 ARG 92 0.537 -43.434 16.376 1.00 15.33 ATOM 1450 NH2 ARG 92 -1.704 -44.304 16.821 1.00 34.14 ATOM 1451 HH21 ARG 92 -2.645 -44.562 17.039 1.00 25.45 ATOM 1452 HH22 ARG 92 -1.052 -44.993 16.516 1.00 25.01 ATOM 1453 C ARG 92 -0.314 -37.781 17.991 1.00 14.01 ATOM 1454 O ARG 92 -0.157 -38.488 16.996 1.00 53.24 ATOM 1455 N LEU 93 0.505 -36.771 18.280 1.00 30.24 ATOM 1456 HN LEU 93 0.377 -36.285 19.119 1.00 36.63 ATOM 1457 CA LEU 93 1.594 -36.369 17.378 1.00 12.20 ATOM 1458 HA LEU 93 1.255 -36.558 16.368 1.00 22.24 ATOM 1459 CB LEU 93 1.867 -34.856 17.516 1.00 55.43 ATOM 1460 HB1 LEU 93 1.012 -34.329 17.115 1.00 36.63 ATOM 1461 HB2 LEU 93 2.727 -34.613 16.906 1.00 25.11 ATOM 1462 CG LEU 93 2.128 -34.324 18.946 1.00 40.44 ATOM 1463 HG LEU 93 1.419 -34.783 19.621 1.00 61.53 ATOM 1464 CD1 LEU 93 3.527 -34.680 19.436 1.00 20.12 ATOM 1465 HD11 LEU 93 3.631 -35.754 19.482 1.00 70.51 ATOM 1466 HD12 LEU 93 3.680 -34.263 20.421 1.00 32.35 ATOM 1467 HD13 LEU 93 4.263 -34.276 18.756 1.00 35.41 ATOM 1468 CD2 LEU 93 1.914 -32.814 19.006 1.00 42.11 ATOM 1469 HD21 LEU 93 2.088 -32.468 20.015 1.00 0.54 ATOM 1470 HD22 LEU 93 0.899 -32.583 18.718 1.00 60.01 ATOM 1471 HD23 LEU 93 2.601 -32.321 18.333 1.00 74.15 ATOM 1472 C LEU 93 2.879 -37.191 17.605 1.00 54.24 ATOM 1473 O LEU 93 2.988 -37.954 18.571 1.00 54.03 ATOM 1474 N GLU 94 3.846 -37.026 16.702 1.00 10.30 ATOM 1475 HN GLU 94 3.694 -36.408 15.956 1.00 36.63 ATOM 1476 CA GLU 94 5.130 -37.739 16.782 1.00 22.20 ATOM 1477 HA GLU 94 4.907 -38.794 16.865 1.00 62.44 ATOM 1478 CB GLU 94 5.940 -37.508 15.494 1.00 11.11 ATOM 1479 HB1 GLU 94 5.405 -37.951 14.666 1.00 36.63 ATOM 1480 HB2 GLU 94 6.897 -38.000 15.593 1.00 31.42 ATOM 1481 CG GLU 94 6.194 -36.036 15.164 1.00 50.20 ATOM 1482 HG1 GLU 94 6.855 -35.623 15.914 1.00 36.63 ATOM 1483 HG2 GLU 94 5.250 -35.508 15.191 1.00 43.45 ATOM 1484 CD GLU 94 6.825 -35.838 13.792 1.00 62.14 ATOM 1485 OE1 GLU 94 6.074 -35.687 12.803 1.00 55.44 ATOM 1486 OE2 GLU 94 8.066 -35.837 13.690 1.00 60.41 ATOM 1487 C GLU 94 5.943 -37.313 18.024 1.00 41.14 ATOM 1488 O GLU 94 6.137 -36.123 18.283 1.00 13.54 ATOM 1489 N THR 95 6.414 -38.295 18.794 1.00 2.11 ATOM 1490 HN THR 95 6.280 -39.227 18.513 1.00 36.63 ATOM 1491 CA THR 95 7.131 -38.023 20.053 1.00 3.22 ATOM 1492 HA THR 95 7.330 -36.959 20.097 1.00 14.22 ATOM 1493 CB THR 95 6.271 -38.398 21.289 1.00 44.45 ATOM 1494 HB THR 95 6.895 -38.341 22.171 1.00 73.43 ATOM 1495 OG1 THR 95 5.773 -39.742 21.163 1.00 14.43 ATOM 1496 HG1 THR 95 5.644 -40.123 22.045 1.00 43.22 ATOM 1497 CG2 THR 95 5.099 -37.435 21.463 1.00 23.54 ATOM 1498 HG21 THR 95 4.470 -37.466 20.584 1.00 44.24 ATOM 1499 HG22 THR 95 5.473 -36.432 21.601 1.00 63.41 ATOM 1500 HG23 THR 95 4.521 -37.724 22.329 1.00 62.13 ATOM 1501 C THR 95 8.471 -38.770 20.141 1.00 2.10 ATOM 1502 O THR 95 8.635 -39.861 19.592 1.00 63.34 ATOM 1503 N PHE 96 9.423 -38.162 20.846 1.00 31.22 ATOM 1504 HN PHE 96 9.234 -37.278 21.220 1.00 36.63 ATOM 1505 CA PHE 96 10.742 -38.766 21.098 1.00 10.22 ATOM 1506 HA PHE 96 11.002 -39.391 20.249 1.00 60.03 ATOM 1507 CB PHE 96 11.805 -37.662 21.245 1.00 1.24 ATOM 1508 HB1 PHE 96 11.857 -37.101 20.322 1.00 36.63 ATOM 1509 HB2 PHE 96 12.766 -38.123 21.427 1.00 24.25 ATOM 1510 CG PHE 96 11.535 -36.685 22.371 1.00 3.22 ATOM 1511 CD1 PHE 96 10.644 -35.634 22.202 1.00 33.15 ATOM 1512 HD1 PHE 96 10.134 -35.519 21.255 1.00 13.04 ATOM 1513 CD2 PHE 96 12.179 -36.816 23.595 1.00 21.13 ATOM 1514 HD2 PHE 96 12.876 -37.629 23.742 1.00 11.14 ATOM 1515 CE1 PHE 96 10.403 -34.737 23.226 1.00 3.31 ATOM 1516 HE1 PHE 96 9.707 -33.925 23.079 1.00 64.55 ATOM 1517 CE2 PHE 96 11.940 -35.923 24.623 1.00 13.45 ATOM 1518 HE2 PHE 96 12.449 -36.039 25.569 1.00 52.23 ATOM 1519 CZ PHE 96 11.051 -34.882 24.439 1.00 44.54 ATOM 1520 HZ PHE 96 10.863 -34.182 25.240 1.00 23.34 ATOM 1521 C PHE 96 10.710 -39.634 22.367 1.00 54.50 ATOM 1522 O PHE 96 9.666 -39.778 23.001 1.00 71.21 ATOM 1523 N ASP 97 11.843 -40.235 22.722 1.00 2.31 ATOM 1524 HN ASP 97 12.622 -40.188 22.127 1.00 36.63 ATOM 1525 CA ASP 97 11.957 -40.966 23.988 1.00 63.30 ATOM 1526 HA ASP 97 10.958 -41.118 24.378 1.00 72.33 ATOM 1527 CB ASP 97 12.622 -42.333 23.765 1.00 45.03 ATOM 1528 HB1 ASP 97 13.684 -42.190 23.615 1.00 36.63 ATOM 1529 HB2 ASP 97 12.202 -42.791 22.880 1.00 11.42 ATOM 1530 CG ASP 97 12.424 -43.277 24.942 1.00 53.01 ATOM 1531 OD1 ASP 97 11.706 -44.292 24.788 1.00 55.13 ATOM 1532 OD2 ASP 97 12.967 -43.006 26.031 1.00 53.14 ATOM 1533 C ASP 97 12.763 -40.138 25.006 1.00 21.12 ATOM 1534 O ASP 97 13.645 -39.362 24.634 1.00 73.14 ATOM 1535 N ALA 98 12.465 -40.317 26.291 1.00 33.33 ATOM 1536 HN ALA 98 11.786 -40.981 26.530 1.00 36.63 ATOM 1537 CA ALA 98 13.139 -39.563 27.357 1.00 21.33 ATOM 1538 HA ALA 98 12.895 -38.518 27.225 1.00 22.13 ATOM 1539 CB ALA 98 12.620 -39.997 28.722 1.00 2.12 ATOM 1540 HB1 ALA 98 13.092 -39.404 29.493 1.00 11.13 ATOM 1541 HB2 ALA 98 12.847 -41.041 28.883 1.00 51.40 ATOM 1542 HB3 ALA 98 11.550 -39.851 28.763 1.00 13.00 ATOM 1543 C ALA 98 14.665 -39.725 27.295 1.00 74.04 ATOM 1544 O ALA 98 15.413 -38.815 27.662 1.00 74.34 ATOM 1545 N ASN 99 15.117 -40.884 26.828 1.00 15.32 ATOM 1546 HN ASN 99 14.469 -41.578 26.559 1.00 36.63 ATOM 1547 CA ASN 99 16.549 -41.162 26.706 1.00 31.45 ATOM 1548 HA ASN 99 17.007 -40.913 27.656 1.00 0.42 ATOM 1549 CB ASN 99 16.772 -42.653 26.430 1.00 13.23 ATOM 1550 HB1 ASN 99 17.817 -42.824 26.212 1.00 36.63 ATOM 1551 HB2 ASN 99 16.176 -42.950 25.578 1.00 25.41 ATOM 1552 CG ASN 99 16.380 -43.518 27.617 1.00 61.24 ATOM 1553 OD1 ASN 99 15.226 -43.899 27.774 1.00 41.32 ATOM 1554 ND2 ASN 99 17.338 -43.838 28.463 1.00 11.54 ATOM 1555 HD21 ASN 99 18.239 -43.508 28.288 1.00 4.21 ATOM 1556 HD22 ASN 99 17.103 -44.400 29.233 1.00 35.40 ATOM 1557 C ASN 99 17.216 -40.304 25.616 1.00 25.24 ATOM 1558 O ASN 99 18.363 -39.880 25.780 1.00 51.04 ATOM 1559 N ASP 100 16.500 -40.032 24.519 1.00 33.12 ATOM 1560 HN ASP 100 15.598 -40.410 24.428 1.00 36.63 ATOM 1561 CA ASP 100 17.031 -39.173 23.450 1.00 35.41 ATOM 1562 HA ASP 100 17.887 -39.673 23.016 1.00 42.14 ATOM 1563 CB ASP 100 15.981 -38.939 22.356 1.00 24.02 ATOM 1564 HB1 ASP 100 16.357 -38.200 21.660 1.00 36.63 ATOM 1565 HB2 ASP 100 15.078 -38.561 22.814 1.00 12.45 ATOM 1566 CG ASP 100 15.637 -40.195 21.580 1.00 13.32 ATOM 1567 OD1 ASP 100 16.498 -40.690 20.824 1.00 2.32 ATOM 1568 OD2 ASP 100 14.492 -40.675 21.686 1.00 23.21 ATOM 1569 C ASP 100 17.479 -37.815 24.007 1.00 0.01 ATOM 1570 O ASP 100 18.602 -37.365 23.766 1.00 41.23 ATOM 1571 N LEU 101 16.590 -37.180 24.767 1.00 32.12 ATOM 1572 HN LEU 101 15.731 -37.616 24.954 1.00 36.63 ATOM 1573 CA LEU 101 16.847 -35.849 25.325 1.00 0.23 ATOM 1574 HA LEU 101 17.306 -35.250 24.551 1.00 12.53 ATOM 1575 CB LEU 101 15.517 -35.196 25.727 1.00 41.13 ATOM 1576 HB1 LEU 101 15.031 -35.838 26.448 1.00 36.63 ATOM 1577 HB2 LEU 101 14.889 -35.137 24.848 1.00 3.12 ATOM 1578 CG LEU 101 15.624 -33.788 26.338 1.00 42.14 ATOM 1579 HG LEU 101 16.291 -33.823 27.188 1.00 11.14 ATOM 1580 CD1 LEU 101 16.204 -32.798 25.332 1.00 0.04 ATOM 1581 HD11 LEU 101 15.564 -32.747 24.463 1.00 1.53 ATOM 1582 HD12 LEU 101 17.191 -33.121 25.034 1.00 50.24 ATOM 1583 HD13 LEU 101 16.269 -31.820 25.788 1.00 64.33 ATOM 1584 CD2 LEU 101 14.260 -33.319 26.833 1.00 35.33 ATOM 1585 HD21 LEU 101 13.893 -34.007 27.581 1.00 34.32 ATOM 1586 HD22 LEU 101 13.565 -33.285 26.006 1.00 4.54 ATOM 1587 HD23 LEU 101 14.352 -32.334 27.266 1.00 73.52 ATOM 1588 C LEU 101 17.791 -35.900 26.540 1.00 2.43 ATOM 1589 O LEU 101 18.813 -35.212 26.570 1.00 62.05 ATOM 1590 N TYR 102 17.462 -36.737 27.525 1.00 70.24 ATOM 1591 HN TYR 102 16.705 -37.350 27.398 1.00 36.63 ATOM 1592 CA TYR 102 18.195 -36.758 28.799 1.00 33.40 ATOM 1593 HA TYR 102 18.218 -35.745 29.174 1.00 3.20 ATOM 1594 CB TYR 102 17.475 -37.640 29.827 1.00 72.44 ATOM 1595 HB1 TYR 102 17.606 -38.679 29.557 1.00 36.63 ATOM 1596 HB2 TYR 102 16.420 -37.407 29.823 1.00 61.01 ATOM 1597 CG TYR 102 17.998 -37.449 31.239 1.00 44.13 ATOM 1598 CD1 TYR 102 17.637 -36.331 31.978 1.00 61.30 ATOM 1599 HD1 TYR 102 16.970 -35.605 31.537 1.00 43.23 ATOM 1600 CD2 TYR 102 18.857 -38.372 31.827 1.00 32.22 ATOM 1601 HD2 TYR 102 19.148 -39.251 31.268 1.00 2.22 ATOM 1602 CE1 TYR 102 18.121 -36.130 33.254 1.00 25.41 ATOM 1603 HE1 TYR 102 17.828 -35.251 33.808 1.00 2.13 ATOM 1604 CE2 TYR 102 19.342 -38.180 33.106 1.00 13.11 ATOM 1605 HE2 TYR 102 20.006 -38.912 33.545 1.00 43.34 ATOM 1606 CZ TYR 102 18.967 -37.058 33.817 1.00 51.35 ATOM 1607 OH TYR 102 19.451 -36.855 35.089 1.00 53.43 ATOM 1608 HH TYR 102 20.411 -36.957 35.085 1.00 73.25 ATOM 1609 C TYR 102 19.643 -37.244 28.636 1.00 23.01 ATOM 1610 O TYR 102 20.566 -36.687 29.233 1.00 51.32 ATOM 1611 N GLN 103 19.843 -38.288 27.836 1.00 11.44 ATOM 1612 HN GLN 103 19.082 -38.679 27.353 1.00 36.63 ATOM 1613 CA GLN 103 21.184 -38.859 27.654 1.00 4.14 ATOM 1614 HA GLN 103 21.714 -38.761 28.593 1.00 21.33 ATOM 1615 CB GLN 103 21.094 -40.352 27.292 1.00 33.52 ATOM 1616 HB1 GLN 103 22.093 -40.768 27.282 1.00 36.63 ATOM 1617 HB2 GLN 103 20.668 -40.445 26.303 1.00 43.42 ATOM 1618 CG GLN 103 20.243 -41.181 28.253 1.00 53.22 ATOM 1619 HG1 GLN 103 20.303 -42.219 27.957 1.00 36.63 ATOM 1620 HG2 GLN 103 19.218 -40.849 28.176 1.00 31.44 ATOM 1621 CD GLN 103 20.680 -41.067 29.708 1.00 21.35 ATOM 1622 OE1 GLN 103 21.848 -40.843 30.011 1.00 12.21 ATOM 1623 NE2 GLN 103 19.744 -41.230 30.622 1.00 43.32 ATOM 1624 HE21 GLN 103 18.833 -41.411 30.325 1.00 42.45 ATOM 1625 HE22 GLN 103 20.008 -41.171 31.566 1.00 42.11 ATOM 1626 C GLN 103 21.970 -38.104 26.572 1.00 21.42 ATOM 1627 O GLN 103 23.159 -38.354 26.372 1.00 30.34 ATOM 1628 N GLY 104 21.304 -37.171 25.890 1.00 45.00 ATOM 1629 HN GLY 104 20.371 -36.984 26.124 1.00 36.63 ATOM 1630 CA GLY 104 21.944 -36.422 24.814 1.00 32.32 ATOM 1631 HA1 GLY 104 22.837 -35.950 25.198 1.00 36.63 ATOM 1632 HA2 GLY 104 21.265 -35.654 24.474 1.00 5.31 ATOM 1633 C GLY 104 22.321 -37.298 23.626 1.00 21.21 ATOM 1634 O GLY 104 23.475 -37.316 23.191 1.00 5.30 ATOM 1635 N GLN 105 21.342 -38.030 23.104 1.00 3.43 ATOM 1636 HN GLN 105 20.442 -37.952 23.483 1.00 36.63 ATOM 1637 CA GLN 105 21.568 -38.946 21.980 1.00 21.21 ATOM 1638 HA GLN 105 22.632 -39.128 21.905 1.00 55.14 ATOM 1639 CB GLN 105 20.852 -40.282 22.237 1.00 21.41 ATOM 1640 HB1 GLN 105 21.067 -40.954 21.418 1.00 36.63 ATOM 1641 HB2 GLN 105 19.786 -40.106 22.275 1.00 73.04 ATOM 1642 CG GLN 105 21.272 -40.963 23.537 1.00 41.14 ATOM 1643 HG1 GLN 105 21.096 -40.284 24.359 1.00 36.63 ATOM 1644 HG2 GLN 105 22.328 -41.191 23.482 1.00 55.41 ATOM 1645 CD GLN 105 20.515 -42.253 23.806 1.00 63.32 ATOM 1646 OE1 GLN 105 19.370 -42.416 23.398 1.00 4.25 ATOM 1647 NE2 GLN 105 21.147 -43.177 24.503 1.00 44.02 ATOM 1648 HE21 GLN 105 22.062 -42.988 24.804 1.00 12.24 ATOM 1649 HE22 GLN 105 20.672 -44.014 24.690 1.00 12.25 ATOM 1650 C GLN 105 21.080 -38.334 20.658 1.00 72.44 ATOM 1651 O GLN 105 21.881 -37.931 19.814 1.00 31.31 ATOM 1652 N ASN 106 19.761 -38.263 20.490 1.00 72.33 ATOM 1653 HN ASN 106 19.175 -38.594 21.201 1.00 36.63 ATOM 1654 CA ASN 106 19.154 -37.708 19.275 1.00 11.44 ATOM 1655 HA ASN 106 19.946 -37.391 18.610 1.00 5.35 ATOM 1656 CB ASN 106 18.307 -38.776 18.577 1.00 53.12 ATOM 1657 HB1 ASN 106 17.882 -38.354 17.676 1.00 36.63 ATOM 1658 HB2 ASN 106 17.505 -39.073 19.237 1.00 43.13 ATOM 1659 CG ASN 106 19.094 -40.017 18.195 1.00 44.42 ATOM 1660 OD1 ASN 106 20.259 -39.946 17.819 1.00 45.31 ATOM 1661 ND2 ASN 106 18.462 -41.170 18.312 1.00 0.01 ATOM 1662 HD21 ASN 106 17.540 -41.162 18.640 1.00 20.31 ATOM 1663 HD22 ASN 106 18.942 -41.983 18.062 1.00 5.11 ATOM 1664 C ASN 106 18.266 -36.502 19.608 1.00 51.52 ATOM 1665 O ASN 106 17.126 -36.665 20.052 1.00 52.42 ATOM 1666 N PHE 107 18.779 -35.292 19.398 1.00 51.04 ATOM 1667 HN PHE 107 19.687 -35.212 19.030 1.00 36.63 ATOM 1668 CA PHE 107 18.012 -34.079 19.699 1.00 30.00 ATOM 1669 HA PHE 107 17.473 -34.257 20.621 1.00 20.35 ATOM 1670 CB PHE 107 18.944 -32.875 19.904 1.00 53.32 ATOM 1671 HB1 PHE 107 19.515 -32.711 19.000 1.00 36.63 ATOM 1672 HB2 PHE 107 19.623 -33.086 20.718 1.00 14.42 ATOM 1673 CG PHE 107 18.204 -31.598 20.228 1.00 13.13 ATOM 1674 CD1 PHE 107 17.656 -31.397 21.489 1.00 63.34 ATOM 1675 HD1 PHE 107 17.776 -32.159 22.246 1.00 12.43 ATOM 1676 CD2 PHE 107 18.039 -30.604 19.270 1.00 51.13 ATOM 1677 HD2 PHE 107 18.458 -30.744 18.284 1.00 44.24 ATOM 1678 CE1 PHE 107 16.965 -30.239 21.784 1.00 12.42 ATOM 1679 HE1 PHE 107 16.543 -30.097 22.769 1.00 34.10 ATOM 1680 CE2 PHE 107 17.351 -29.444 19.563 1.00 11.32 ATOM 1681 HE2 PHE 107 17.231 -28.679 18.808 1.00 45.52 ATOM 1682 CZ PHE 107 16.812 -29.262 20.820 1.00 65.12 ATOM 1683 HZ PHE 107 16.271 -28.356 21.050 1.00 1.43 ATOM 1684 C PHE 107 16.989 -33.767 18.596 1.00 43.23 ATOM 1685 O PHE 107 15.916 -33.233 18.872 1.00 52.14 ATOM 1686 N ASN 108 17.322 -34.102 17.350 1.00 2.50 ATOM 1687 HN ASN 108 18.194 -34.522 17.185 1.00 36.63 ATOM 1688 CA ASN 108 16.422 -33.842 16.217 1.00 32.25 ATOM 1689 HA ASN 108 16.302 -32.769 16.153 1.00 21.35 ATOM 1690 CB ASN 108 17.041 -34.337 14.899 1.00 15.25 ATOM 1691 HB1 ASN 108 17.877 -33.700 14.644 1.00 36.63 ATOM 1692 HB2 ASN 108 16.298 -34.271 14.116 1.00 73.52 ATOM 1693 CG ASN 108 17.535 -35.773 14.966 1.00 44.15 ATOM 1694 OD1 ASN 108 17.030 -36.591 15.726 1.00 15.24 ATOM 1695 ND2 ASN 108 18.537 -36.093 14.169 1.00 13.21 ATOM 1696 HD21 ASN 108 18.908 -35.396 13.585 1.00 32.51 ATOM 1697 HD22 ASN 108 18.859 -37.020 14.180 1.00 41.22 ATOM 1698 C ASN 108 15.025 -34.460 16.434 1.00 62.34 ATOM 1699 O ASN 108 14.019 -33.893 16.007 1.00 62.21 ATOM 1700 N LYS 109 14.973 -35.613 17.106 1.00 42.31 ATOM 1701 HN LYS 109 15.812 -36.057 17.348 1.00 36.63 ATOM 1702 CA LYS 109 13.697 -36.244 17.478 1.00 34.33 ATOM 1703 HA LYS 109 13.107 -36.365 16.578 1.00 5.14 ATOM 1704 CB LYS 109 13.949 -37.622 18.105 1.00 34.35 ATOM 1705 HB1 LYS 109 12.997 -38.073 18.350 1.00 36.63 ATOM 1706 HB2 LYS 109 14.516 -37.491 19.017 1.00 43.42 ATOM 1707 CG LYS 109 14.716 -38.586 17.209 1.00 52.15 ATOM 1708 HG1 LYS 109 15.610 -38.094 16.851 1.00 36.63 ATOM 1709 HG2 LYS 109 14.093 -38.859 16.368 1.00 54.14 ATOM 1710 CD LYS 109 15.113 -39.851 17.965 1.00 33.15 ATOM 1711 HD1 LYS 109 15.626 -39.565 18.872 1.00 36.63 ATOM 1712 HD2 LYS 109 15.779 -40.433 17.347 1.00 24.33 ATOM 1713 CE LYS 109 13.916 -40.712 18.336 1.00 32.20 ATOM 1714 HE1 LYS 109 13.477 -41.104 17.431 1.00 36.63 ATOM 1715 HE2 LYS 109 13.192 -40.104 18.857 1.00 22.54 ATOM 1716 NZ LYS 109 14.311 -41.847 19.210 1.00 14.54 ATOM 1717 HZ1 LYS 109 14.750 -41.492 20.087 1.00 62.30 ATOM 1718 HZ2 LYS 109 14.993 -42.456 18.720 1.00 35.45 ATOM 1719 HZ3 LYS 109 13.479 -42.417 19.459 1.00 31.43 ATOM 1720 C LYS 109 12.921 -35.368 18.474 1.00 10.22 ATOM 1721 O LYS 109 11.692 -35.291 18.438 1.00 61.24 ATOM 1722 N VAL 110 13.657 -34.720 19.372 1.00 61.45 ATOM 1723 HN VAL 110 14.628 -34.841 19.365 1.00 36.63 ATOM 1724 CA VAL 110 13.061 -33.822 20.362 1.00 13.33 ATOM 1725 HA VAL 110 12.235 -34.339 20.831 1.00 51.41 ATOM 1726 CB VAL 110 14.088 -33.437 21.458 1.00 4.31 ATOM 1727 HB VAL 110 14.876 -32.860 20.991 1.00 32.55 ATOM 1728 CG1 VAL 110 13.443 -32.566 22.537 1.00 35.33 ATOM 1729 HG11 VAL 110 14.182 -32.307 23.281 1.00 33.31 ATOM 1730 HG12 VAL 110 12.635 -33.110 23.007 1.00 63.04 ATOM 1731 HG13 VAL 110 13.054 -31.663 22.088 1.00 40.15 ATOM 1732 CG2 VAL 110 14.718 -34.686 22.069 1.00 11.01 ATOM 1733 HG21 VAL 110 15.461 -34.396 22.799 1.00 3.32 ATOM 1734 HG22 VAL 110 15.188 -35.270 21.290 1.00 52.15 ATOM 1735 HG23 VAL 110 13.954 -35.278 22.551 1.00 71.14 ATOM 1736 C VAL 110 12.542 -32.543 19.690 1.00 51.42 ATOM 1737 O VAL 110 11.398 -32.136 19.891 1.00 25.02 ATOM 1738 N LEU 111 13.397 -31.929 18.877 1.00 35.32 ATOM 1739 HN LEU 111 14.283 -32.325 18.738 1.00 36.63 ATOM 1740 CA LEU 111 13.063 -30.679 18.190 1.00 2.12 ATOM 1741 HA LEU 111 12.783 -29.958 18.946 1.00 61.14 ATOM 1742 CB LEU 111 14.295 -30.151 17.439 1.00 14.54 ATOM 1743 HB1 LEU 111 14.513 -30.832 16.627 1.00 36.63 ATOM 1744 HB2 LEU 111 15.136 -30.156 18.121 1.00 32.53 ATOM 1745 CG LEU 111 14.158 -28.734 16.855 1.00 21.30 ATOM 1746 HG LEU 111 13.320 -28.712 16.171 1.00 50.35 ATOM 1747 CD1 LEU 111 13.884 -27.716 17.962 1.00 11.42 ATOM 1748 HD11 LEU 111 13.798 -26.728 17.533 1.00 61.34 ATOM 1749 HD12 LEU 111 14.695 -27.728 18.675 1.00 41.40 ATOM 1750 HD13 LEU 111 12.961 -27.969 18.465 1.00 42.34 ATOM 1751 CD2 LEU 111 15.415 -28.355 16.072 1.00 71.55 ATOM 1752 HD21 LEU 111 15.578 -29.073 15.282 1.00 65.15 ATOM 1753 HD22 LEU 111 16.268 -28.351 16.736 1.00 74.02 ATOM 1754 HD23 LEU 111 15.291 -27.371 15.642 1.00 65.53 ATOM 1755 C LEU 111 11.880 -30.860 17.220 1.00 10.44 ATOM 1756 O LEU 111 10.994 -30.011 17.152 1.00 14.10 ATOM 1757 N SER 112 11.862 -31.973 16.483 1.00 52.11 ATOM 1758 HN SER 112 12.598 -32.618 16.570 1.00 36.63 ATOM 1759 CA SER 112 10.761 -32.269 15.547 1.00 55.41 ATOM 1760 HA SER 112 10.704 -31.457 14.835 1.00 51.11 ATOM 1761 CB SER 112 11.033 -33.577 14.793 1.00 42.34 ATOM 1762 HB1 SER 112 11.953 -33.483 14.233 1.00 36.63 ATOM 1763 HB2 SER 112 10.217 -33.778 14.113 1.00 25.30 ATOM 1764 OG SER 112 11.157 -34.668 15.692 1.00 43.41 ATOM 1765 HG SER 112 10.903 -35.482 15.245 1.00 32.42 ATOM 1766 C SER 112 9.421 -32.372 16.287 1.00 31.21 ATOM 1767 O SER 112 8.393 -31.863 15.824 1.00 44.12 ATOM 1768 N SER 113 9.439 -33.035 17.443 1.00 5.44 ATOM 1769 HN SER 113 10.271 -33.479 17.723 1.00 36.63 ATOM 1770 CA SER 113 8.249 -33.142 18.294 1.00 44.12 ATOM 1771 HA SER 113 7.452 -33.565 17.695 1.00 52.30 ATOM 1772 CB SER 113 8.523 -34.073 19.484 1.00 45.11 ATOM 1773 HB1 SER 113 9.267 -33.625 20.129 1.00 36.63 ATOM 1774 HB2 SER 113 8.892 -35.020 19.119 1.00 2.42 ATOM 1775 OG SER 113 7.347 -34.308 20.244 1.00 43.13 ATOM 1776 HG SER 113 6.741 -34.857 19.731 1.00 44.13 ATOM 1777 C SER 113 7.805 -31.760 18.800 1.00 52.14 ATOM 1778 O SER 113 6.616 -31.435 18.794 1.00 21.31 ATOM 1779 N LEU 114 8.773 -30.945 19.225 1.00 12.23 ATOM 1780 HN LEU 114 9.699 -31.268 19.222 1.00 36.63 ATOM 1781 CA LEU 114 8.496 -29.582 19.705 1.00 41.21 ATOM 1782 HA LEU 114 7.774 -29.658 20.504 1.00 70.24 ATOM 1783 CB LEU 114 9.778 -28.942 20.256 1.00 24.03 ATOM 1784 HB1 LEU 114 9.556 -27.919 20.526 1.00 36.63 ATOM 1785 HB2 LEU 114 10.516 -28.934 19.465 1.00 42.42 ATOM 1786 CG LEU 114 10.389 -29.640 21.484 1.00 13.23 ATOM 1787 HG LEU 114 10.603 -30.670 21.231 1.00 71.43 ATOM 1788 CD1 LEU 114 11.704 -28.978 21.884 1.00 50.51 ATOM 1789 HD11 LEU 114 11.535 -27.932 22.096 1.00 32.11 ATOM 1790 HD12 LEU 114 12.415 -29.070 21.074 1.00 51.51 ATOM 1791 HD13 LEU 114 12.100 -29.464 22.763 1.00 4.11 ATOM 1792 CD2 LEU 114 9.403 -29.642 22.652 1.00 40.44 ATOM 1793 HD21 LEU 114 9.853 -30.133 23.503 1.00 32.24 ATOM 1794 HD22 LEU 114 8.506 -30.172 22.367 1.00 42.03 ATOM 1795 HD23 LEU 114 9.152 -28.625 22.915 1.00 4.30 ATOM 1796 C LEU 114 7.905 -28.697 18.592 1.00 22.32 ATOM 1797 O LEU 114 6.943 -27.961 18.818 1.00 70.43 ATOM 1798 N VAL 115 8.483 -28.772 17.391 1.00 43.32 ATOM 1799 HN VAL 115 9.273 -29.339 17.279 1.00 36.63 ATOM 1800 CA VAL 115 7.968 -28.029 16.236 1.00 1.33 ATOM 1801 HA VAL 115 7.968 -26.978 16.494 1.00 3.45 ATOM 1802 CB VAL 115 8.867 -28.220 14.984 1.00 33.33 ATOM 1803 HB VAL 115 8.947 -29.280 14.784 1.00 24.34 ATOM 1804 CG1 VAL 115 8.247 -27.550 13.757 1.00 20.44 ATOM 1805 HG11 VAL 115 8.889 -27.698 12.901 1.00 15.10 ATOM 1806 HG12 VAL 115 8.133 -26.491 13.942 1.00 34.30 ATOM 1807 HG13 VAL 115 7.278 -27.986 13.559 1.00 5.14 ATOM 1808 CG2 VAL 115 10.273 -27.675 15.246 1.00 25.02 ATOM 1809 HG21 VAL 115 10.890 -27.827 14.372 1.00 60.30 ATOM 1810 HG22 VAL 115 10.711 -28.191 16.088 1.00 74.43 ATOM 1811 HG23 VAL 115 10.216 -26.618 15.465 1.00 42.31 ATOM 1812 C VAL 115 6.526 -28.452 15.912 1.00 11.02 ATOM 1813 O VAL 115 5.655 -27.609 15.692 1.00 64.43 ATOM 1814 N THR 116 6.274 -29.761 15.900 1.00 12.40 ATOM 1815 HN THR 116 7.018 -30.392 16.016 1.00 36.63 ATOM 1816 CA THR 116 4.910 -30.278 15.712 1.00 55.13 ATOM 1817 HA THR 116 4.551 -29.923 14.754 1.00 23.11 ATOM 1818 CB THR 116 4.871 -31.825 15.706 1.00 75.14 ATOM 1819 HB THR 116 5.275 -32.183 16.642 1.00 20.32 ATOM 1820 OG1 THR 116 5.676 -32.335 14.630 1.00 53.01 ATOM 1821 HG1 THR 116 6.592 -32.429 14.932 1.00 73.33 ATOM 1822 CG2 THR 116 3.438 -32.340 15.563 1.00 15.45 ATOM 1823 HG21 THR 116 2.836 -31.974 16.386 1.00 73.35 ATOM 1824 HG22 THR 116 3.440 -33.421 15.575 1.00 41.33 ATOM 1825 HG23 THR 116 3.019 -31.993 14.632 1.00 3.51 ATOM 1826 C THR 116 3.977 -29.765 16.814 1.00 43.03 ATOM 1827 O THR 116 2.835 -29.384 16.553 1.00 75.33 ATOM 1828 N LEU 117 4.483 -29.755 18.045 1.00 32.32 ATOM 1829 HN LEU 117 5.381 -30.122 18.192 1.00 36.63 ATOM 1830 CA LEU 117 3.745 -29.220 19.192 1.00 33.30 ATOM 1831 HA LEU 117 2.825 -29.781 19.281 1.00 71.12 ATOM 1832 CB LEU 117 4.573 -29.408 20.474 1.00 31.14 ATOM 1833 HB1 LEU 117 5.494 -28.851 20.366 1.00 36.63 ATOM 1834 HB2 LEU 117 4.821 -30.457 20.562 1.00 3.43 ATOM 1835 CG LEU 117 3.895 -28.963 21.780 1.00 5.20 ATOM 1836 HG LEU 117 3.632 -27.917 21.700 1.00 64.34 ATOM 1837 CD1 LEU 117 2.611 -29.748 22.023 1.00 70.32 ATOM 1838 HD11 LEU 117 2.166 -29.433 22.956 1.00 33.01 ATOM 1839 HD12 LEU 117 2.834 -30.805 22.070 1.00 73.52 ATOM 1840 HD13 LEU 117 1.918 -29.563 21.214 1.00 32.13 ATOM 1841 CD2 LEU 117 4.851 -29.116 22.962 1.00 21.51 ATOM 1842 HD21 LEU 117 5.137 -30.153 23.068 1.00 44.42 ATOM 1843 HD22 LEU 117 4.361 -28.784 23.866 1.00 21.40 ATOM 1844 HD23 LEU 117 5.734 -28.516 22.792 1.00 64.33 ATOM 1845 C LEU 117 3.403 -27.732 18.980 1.00 41.34 ATOM 1846 O LEU 117 2.320 -27.271 19.343 1.00 13.32 ATOM 1847 N ASN 118 4.332 -26.991 18.381 1.00 24.41 ATOM 1848 HN ASN 118 5.204 -27.395 18.180 1.00 36.63 ATOM 1849 CA ASN 118 4.101 -25.584 18.028 1.00 44.41 ATOM 1850 HA ASN 118 3.696 -25.091 18.901 1.00 15.31 ATOM 1851 CB ASN 118 5.430 -24.913 17.651 1.00 31.20 ATOM 1852 HB1 ASN 118 5.869 -25.444 16.819 1.00 36.63 ATOM 1853 HB2 ASN 118 6.102 -24.966 18.495 1.00 31.40 ATOM 1854 CG ASN 118 5.274 -23.452 17.258 1.00 31.03 ATOM 1855 OD1 ASN 118 5.128 -23.120 16.084 1.00 43.25 ATOM 1856 ND2 ASN 118 5.300 -22.564 18.235 1.00 21.44 ATOM 1857 HD21 ASN 118 5.419 -22.886 19.151 1.00 62.10 ATOM 1858 HD22 ASN 118 5.198 -21.619 18.001 1.00 5.31 ATOM 1859 C ASN 118 3.083 -25.460 16.879 1.00 51.24 ATOM 1860 O ASN 118 2.276 -24.535 16.849 1.00 53.42 ATOM 1861 N LYS 119 3.122 -26.406 15.941 1.00 72.45 ATOM 1862 HN LYS 119 3.804 -27.108 16.005 1.00 36.63 ATOM 1863 CA LYS 119 2.183 -26.427 14.811 1.00 15.24 ATOM 1864 HA LYS 119 2.241 -25.467 14.316 1.00 54.30 ATOM 1865 CB LYS 119 2.581 -27.524 13.811 1.00 50.45 ATOM 1866 HB1 LYS 119 1.792 -27.629 13.078 1.00 36.63 ATOM 1867 HB2 LYS 119 2.686 -28.459 14.345 1.00 61.05 ATOM 1868 CG LYS 119 3.888 -27.250 13.070 1.00 5.31 ATOM 1869 HG1 LYS 119 4.677 -27.107 13.796 1.00 36.63 ATOM 1870 HG2 LYS 119 3.774 -26.348 12.485 1.00 3.22 ATOM 1871 CD LYS 119 4.275 -28.400 12.139 1.00 34.14 ATOM 1872 HD1 LYS 119 4.466 -29.283 12.734 1.00 36.63 ATOM 1873 HD2 LYS 119 5.175 -28.127 11.605 1.00 2.31 ATOM 1874 CE LYS 119 3.178 -28.715 11.121 1.00 12.54 ATOM 1875 HE1 LYS 119 2.296 -29.049 11.649 1.00 36.63 ATOM 1876 HE2 LYS 119 3.524 -29.504 10.470 1.00 13.23 ATOM 1877 NZ LYS 119 2.824 -27.531 10.292 1.00 63.03 ATOM 1878 HZ1 LYS 119 2.196 -27.814 9.515 1.00 12.11 ATOM 1879 HZ2 LYS 119 3.682 -27.105 9.887 1.00 55.52 ATOM 1880 HZ3 LYS 119 2.339 -26.817 10.870 1.00 45.22 ATOM 1881 C LYS 119 0.732 -26.656 15.274 1.00 71.41 ATOM 1882 O LYS 119 -0.172 -25.885 14.940 1.00 41.21 ATOM 1883 N VAL 120 0.513 -27.727 16.036 1.00 53.25 ATOM 1884 HN VAL 120 1.272 -28.298 16.284 1.00 36.63 ATOM 1885 CA VAL 120 -0.833 -28.083 16.509 1.00 5.11 ATOM 1886 HA VAL 120 -1.467 -28.182 15.638 1.00 55.34 ATOM 1887 CB VAL 120 -0.830 -29.444 17.253 1.00 72.44 ATOM 1888 HB VAL 120 -1.834 -29.641 17.610 1.00 63.11 ATOM 1889 CG1 VAL 120 -0.438 -30.576 16.304 1.00 32.02 ATOM 1890 HG11 VAL 120 0.554 -30.394 15.913 1.00 13.13 ATOM 1891 HG12 VAL 120 -1.143 -30.623 15.486 1.00 31.42 ATOM 1892 HG13 VAL 120 -0.447 -31.516 16.838 1.00 30.34 ATOM 1893 CG2 VAL 120 0.105 -29.404 18.461 1.00 23.44 ATOM 1894 HG21 VAL 120 -0.249 -28.667 19.168 1.00 14.43 ATOM 1895 HG22 VAL 120 1.102 -29.139 18.138 1.00 72.23 ATOM 1896 HG23 VAL 120 0.129 -30.375 18.935 1.00 70.41 ATOM 1897 C VAL 120 -1.433 -26.998 17.422 1.00 62.44 ATOM 1898 O VAL 120 -2.650 -26.803 17.455 1.00 53.20 ATOM 1899 N THR 121 -0.574 -26.291 18.154 1.00 1.02 ATOM 1900 HN THR 121 0.383 -26.503 18.103 1.00 36.63 ATOM 1901 CA THR 121 -1.021 -25.204 19.036 1.00 74.21 ATOM 1902 HA THR 121 -1.973 -25.499 19.460 1.00 42.44 ATOM 1903 CB THR 121 -0.036 -24.967 20.200 1.00 34.12 ATOM 1904 HB THR 121 -0.389 -24.130 20.787 1.00 13.32 ATOM 1905 OG1 THR 121 1.272 -24.660 19.694 1.00 51.21 ATOM 1906 HG1 THR 121 1.847 -25.427 19.798 1.00 22.41 ATOM 1907 CG2 THR 121 0.032 -26.195 21.102 1.00 43.20 ATOM 1908 HG21 THR 121 0.715 -26.006 21.917 1.00 54.44 ATOM 1909 HG22 THR 121 0.382 -27.044 20.533 1.00 42.41 ATOM 1910 HG23 THR 121 -0.951 -26.409 21.498 1.00 30.23 ATOM 1911 C THR 121 -1.220 -23.894 18.264 1.00 3.13 ATOM 1912 O THR 121 -2.113 -23.111 18.585 1.00 1.13 ATOM 1913 N ALA 122 -0.392 -23.659 17.243 1.00 3.31 ATOM 1914 HN ALA 122 0.384 -24.245 17.113 1.00 36.63 ATOM 1915 CA ALA 122 -0.598 -22.530 16.323 1.00 42.32 ATOM 1916 HA ALA 122 -0.577 -21.617 16.906 1.00 22.14 ATOM 1917 CB ALA 122 0.524 -22.466 15.291 1.00 63.51 ATOM 1918 HB1 ALA 122 1.478 -22.391 15.796 1.00 62.31 ATOM 1919 HB2 ALA 122 0.386 -21.602 14.657 1.00 43.11 ATOM 1920 HB3 ALA 122 0.509 -23.361 14.686 1.00 74.32 ATOM 1921 C ALA 122 -1.964 -22.646 15.625 1.00 72.23 ATOM 1922 O ALA 122 -2.579 -21.646 15.248 1.00 45.44 ATOM 1923 N ASP 123 -2.423 -23.883 15.448 1.00 23.41 ATOM 1924 HN ASP 123 -1.832 -24.639 15.651 1.00 36.63 ATOM 1925 CA ASP 123 -3.769 -24.149 14.940 1.00 12.04 ATOM 1926 HA ASP 123 -3.907 -23.560 14.043 1.00 0.23 ATOM 1927 CB ASP 123 -3.904 -25.635 14.586 1.00 2.52 ATOM 1928 HB1 ASP 123 -3.668 -26.228 15.460 1.00 36.63 ATOM 1929 HB2 ASP 123 -3.204 -25.878 13.798 1.00 55.21 ATOM 1930 CG ASP 123 -5.301 -25.999 14.118 1.00 21.23 ATOM 1931 OD1 ASP 123 -6.080 -26.541 14.928 1.00 51.45 ATOM 1932 OD2 ASP 123 -5.632 -25.730 12.946 1.00 51.03 ATOM 1933 C ASP 123 -4.837 -23.739 15.974 1.00 13.44 ATOM 1934 O ASP 123 -5.880 -23.184 15.622 1.00 43.14 ATOM 1935 N ILE 124 -4.566 -24.015 17.250 1.00 4.14 ATOM 1936 HN ILE 124 -3.731 -24.483 17.466 1.00 36.63 ATOM 1937 CA ILE 124 -5.482 -23.651 18.342 1.00 4.22 ATOM 1938 HA ILE 124 -6.471 -24.001 18.078 1.00 34.44 ATOM 1939 CB ILE 124 -5.062 -24.336 19.671 1.00 1.14 ATOM 1940 HB ILE 124 -4.068 -23.992 19.924 1.00 43.44 ATOM 1941 CG1 ILE 124 -5.030 -25.865 19.500 1.00 34.24 ATOM 1942 HG11 ILE 124 -4.372 -26.115 18.680 1.00 36.63 ATOM 1943 HG12 ILE 124 -6.026 -26.217 19.271 1.00 54.02 ATOM 1944 CG2 ILE 124 -6.001 -23.939 20.815 1.00 31.30 ATOM 1945 HG21 ILE 124 -5.672 -24.405 21.733 1.00 22.21 ATOM 1946 HG22 ILE 124 -7.006 -24.264 20.589 1.00 52.44 ATOM 1947 HG23 ILE 124 -5.991 -22.864 20.937 1.00 15.01 ATOM 1948 CD1 ILE 124 -4.547 -26.613 20.727 1.00 11.15 ATOM 1949 HD11 ILE 124 -4.546 -27.673 20.523 1.00 2.24 ATOM 1950 HD12 ILE 124 -5.206 -26.407 21.557 1.00 1.31 ATOM 1951 HD13 ILE 124 -3.545 -26.293 20.974 1.00 2.41 ATOM 1952 C ILE 124 -5.534 -22.126 18.556 1.00 2.02 ATOM 1953 O ILE 124 -6.595 -21.559 18.831 1.00 4.32 ATOM 1954 N GLY 125 -4.384 -21.469 18.415 1.00 43.45 ATOM 1955 HN GLY 125 -3.576 -21.971 18.178 1.00 36.63 ATOM 1956 CA GLY 125 -4.306 -20.023 18.609 1.00 11.32 ATOM 1957 HA1 GLY 125 -5.307 -19.614 18.616 1.00 36.63 ATOM 1958 HA2 GLY 125 -3.765 -19.592 17.779 1.00 33.42 ATOM 1959 C GLY 125 -3.607 -19.634 19.911 1.00 75.22 ATOM 1960 O GLY 125 -4.247 -19.528 20.959 1.00 4.41 ATOM 1961 N LEU 126 -2.290 -19.426 19.844 1.00 70.52 ATOM 1962 HN LEU 126 -1.839 -19.526 18.978 1.00 36.63 ATOM 1963 HA LEU 126 -1.760 -19.734 21.823 1.00 21.15 ATOM 1964 CB LEU 126 0.009 -19.224 20.730 1.00 4.42 ATOM 1965 HB1 LEU 126 0.566 -18.863 21.584 1.00 36.63 ATOM 1966 HB2 LEU 126 0.255 -18.606 19.877 1.00 32.31 ATOM 1967 CG LEU 126 0.463 -20.662 20.433 1.00 63.22 ATOM 1968 HG LEU 126 -0.084 -21.033 19.576 1.00 30.11 ATOM 1969 CD1 LEU 126 1.950 -20.698 20.087 1.00 61.33 ATOM 1970 HD11 LEU 126 2.526 -20.340 20.929 1.00 74.44 ATOM 1971 HD12 LEU 126 2.136 -20.067 19.230 1.00 61.31 ATOM 1972 HD13 LEU 126 2.243 -21.712 19.857 1.00 15.23 ATOM 1973 CD2 LEU 126 0.160 -21.578 21.619 1.00 22.33 ATOM 1974 HD21 LEU 126 0.494 -22.581 21.397 1.00 62.05 ATOM 1975 HD22 LEU 126 -0.904 -21.588 21.806 1.00 31.34 ATOM 1976 HD23 LEU 126 0.676 -21.216 22.498 1.00 2.20 ATOM 1977 CA LEU 126 -1.491 -19.055 21.026 1.00 73.32 ATOM 1978 C LEU 126 -1.777 -17.611 21.492 1.00 41.41 ATOM 1979 OT1 LEU 126 -1.314 -16.655 20.822 1.00 36.63 ATOM 1980 OT2 LEU 126 -2.438 -17.437 22.538 1.00 36.63 ATOM 1981 OH2 TIP3 1 -7.044 -43.692 12.384 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.756 -43.704 11.737 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.909 -42.738 12.577 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -7.376 -48.523 15.347 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.259 -49.223 14.698 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -6.460 -48.265 15.592 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 1.234 -44.805 15.322 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 0.466 -45.242 14.914 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 1.925 -45.506 15.336 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.015 -41.466 11.099 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -3.132 -41.152 11.332 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.043 -41.389 10.112 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -8.615 -47.398 17.511 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -8.254 -47.839 16.712 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -9.482 -47.793 17.627 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -6.481 -46.137 13.679 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -7.235 -46.507 14.158 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -6.817 -45.295 13.312 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -3.682 -41.110 8.445 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -2.832 -40.635 8.284 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -3.913 -41.473 7.587 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.339 -39.903 7.816 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -0.515 -40.052 8.340 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.054 -39.344 7.089 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 3.145 -46.721 15.101 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 3.708 -46.239 14.456 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 3.680 -46.727 15.926 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -2.414 -48.468 16.793 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -2.398 -49.407 16.575 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -3.365 -48.221 16.726 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -11.711 -43.210 19.585 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.861 -43.392 20.050 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -12.099 -44.076 19.455 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -0.166 -47.947 18.436 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -1.078 -48.080 18.126 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 0.384 -48.156 17.651 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -4.916 -47.543 16.175 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -4.500 -46.952 15.515 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -5.393 -46.928 16.782 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -4.491 -44.009 16.906 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -4.819 -43.401 16.207 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -5.268 -44.566 17.126 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 3.363 -40.104 20.109 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 4.166 -39.812 20.589 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 3.127 -39.336 19.547 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -1.203 -46.544 15.201 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -1.509 -47.223 15.843 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -1.997 -46.365 14.652 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -11.583 -40.678 20.627 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -11.759 -41.510 20.130 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -12.059 -40.805 21.481 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -4.245 -43.787 12.605 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.177 -44.026 12.427 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.048 -43.094 11.944 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -8.823 -40.698 20.790 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -9.797 -40.599 20.726 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -8.482 -40.199 20.023 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -5.078 -45.070 20.043 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.446 -44.420 19.660 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -4.560 -45.525 20.720 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.354 -45.844 17.743 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -7.235 -46.275 17.822 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -6.099 -45.642 18.673 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -2.854 -43.490 19.865 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -2.937 -43.730 20.814 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -2.030 -42.959 19.829 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -0.225 -42.216 23.600 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -0.865 -42.774 24.085 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -0.712 -41.925 22.819 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -0.639 -41.967 20.380 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 0.306 -42.171 20.530 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -0.753 -41.071 20.755 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 1.248 -47.097 20.647 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 0.682 -47.426 19.911 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 1.973 -47.751 20.702 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -3.770 -46.076 14.080 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.607 -45.234 13.609 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.696 -46.302 13.837 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 0.990 -48.219 15.955 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 0.341 -47.740 15.419 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 1.855 -47.884 15.640 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 1.029 -40.009 9.149 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 1.354 -39.106 9.331 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 1.635 -40.587 9.656 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -7.357 -39.484 18.737 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.807 -40.271 18.642 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.824 -38.888 19.322 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.964 -42.321 14.821 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.536 -42.906 14.164 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -5.521 -41.733 14.283 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.772 -42.213 30.114 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -5.174 -42.813 30.786 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.073 -41.732 30.614 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -4.861 -38.213 30.153 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -4.647 -38.880 29.461 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -4.045 -37.681 30.232 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -6.017 -42.649 25.370 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.503 -43.454 25.160 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.496 -42.886 26.179 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -3.005 -40.654 31.518 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -2.256 -40.037 31.484 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -3.667 -40.193 32.065 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -4.360 -40.123 28.289 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -4.597 -40.927 28.797 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -4.955 -40.144 27.513 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -4.608 -43.216 27.555 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.638 -43.142 27.469 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.778 -43.027 28.503 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -3.148 -44.348 34.134 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -2.519 -44.857 33.590 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -2.636 -43.563 34.424 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -2.000 -45.497 36.693 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -2.610 -45.321 35.960 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -1.127 -45.248 36.343 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 1.488 -44.215 32.417 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 0.667 -44.743 32.389 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 1.414 -43.706 33.240 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.484 -43.951 32.162 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -4.767 -44.138 32.785 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.288 -44.271 32.619 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -6.112 -39.994 26.098 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -6.104 -40.943 25.849 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -6.475 -39.548 25.315 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 1.289 -40.424 37.970 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 1.933 -40.102 37.311 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 0.415 -40.257 37.553 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -4.776 -40.841 34.646 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -4.158 -40.335 35.219 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -4.918 -40.255 33.875 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.887 -38.103 27.291 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.217 -38.814 27.260 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.659 -37.595 28.100 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.203 -43.989 22.477 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.855 -43.263 22.590 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -2.792 -44.080 23.363 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -5.420 -43.322 35.354 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.326 -42.407 34.989 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -4.668 -43.811 34.964 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.087 -42.049 22.894 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.591 -41.236 22.655 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.299 -42.186 23.843 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -4.040 -42.031 37.437 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -4.755 -42.440 36.907 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -3.960 -41.120 37.074 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 3.627 -48.650 21.059 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 4.551 -48.352 20.936 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 3.642 -49.577 20.804 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -1.887 -42.461 35.713 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.657 -42.556 36.305 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -1.544 -41.559 35.917 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -4.827 -38.887 32.752 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -4.959 -38.617 31.811 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -4.852 -38.046 33.250 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.392 -44.700 34.040 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -8.008 -45.072 34.673 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.777 -44.167 34.587 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.946 -43.967 24.905 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -2.098 -43.552 25.781 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.154 -44.528 25.041 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -1.924 -42.565 27.291 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -2.050 -41.666 27.625 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -0.944 -42.689 27.291 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -9.357 -43.430 20.946 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -8.543 -43.854 21.290 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -9.154 -42.476 20.979 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -12.570 -40.816 23.164 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -11.994 -40.130 23.565 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -12.992 -41.238 23.914 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.957 -40.124 22.693 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -7.638 -40.355 22.022 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -7.433 -39.568 23.336 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -8.209 -38.633 24.628 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -9.153 -38.889 24.538 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.133 -38.327 25.561 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -1.032 -38.688 31.952 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -0.905 -39.220 32.767 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -0.226 -38.118 31.917 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.701 -38.105 20.382 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.233 -38.499 21.148 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.557 -37.151 20.485 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -6.832 -43.968 21.849 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -6.268 -43.248 22.192 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -6.283 -44.395 21.163 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.542 -44.466 41.958 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.328 -44.585 41.000 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -3.063 -45.243 42.179 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 2.048 -42.375 20.819 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 2.520 -41.564 20.518 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 2.271 -42.441 21.769 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -10.899 -38.802 23.946 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -11.082 -37.904 24.296 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -10.815 -38.664 22.974 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.920 -36.530 40.269 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -2.333 -37.277 40.018 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.829 -35.889 39.532 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 0.703 -43.205 26.995 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 0.724 -43.826 26.243 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 1.557 -43.363 27.461 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 3.080 -43.525 28.301 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 3.766 -42.824 28.292 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 3.549 -44.313 28.644 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 0.128 -44.192 35.318 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 0.965 -43.706 35.496 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -0.574 -43.516 35.469 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 0.068 -39.621 34.308 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.280 -39.822 35.199 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 0.582 -38.795 34.430 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 0.564 -45.144 24.896 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 0.452 -45.407 23.971 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 1.439 -45.516 25.145 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -0.642 -45.780 33.270 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -0.118 -46.604 33.291 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -0.353 -45.292 34.071 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.384 -38.078 37.084 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.014 -37.378 37.643 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.634 -38.711 36.954 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -4.802 -36.815 34.652 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -5.213 -37.260 35.422 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -3.866 -36.770 34.878 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -1.358 -38.809 40.227 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -0.716 -38.680 40.943 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -1.562 -39.752 40.255 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.611 -36.639 43.061 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.581 -36.680 43.128 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.452 -36.412 42.125 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -0.908 -37.887 44.719 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.494 -38.490 45.190 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -1.524 -37.297 44.218 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.290 -42.755 43.810 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.701 -42.053 43.278 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.554 -43.576 43.358 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -2.714 -41.712 41.605 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -2.463 -41.685 40.666 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -2.879 -42.659 41.780 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -11.643 -36.325 42.034 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -11.596 -36.919 41.248 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -12.395 -36.650 42.531 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -6.482 -39.019 41.631 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -6.031 -38.159 41.785 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -5.766 -39.658 41.598 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -8.536 -38.014 40.235 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -7.934 -38.544 40.809 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -8.644 -37.168 40.719 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -1.833 -41.770 38.969 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -1.422 -41.185 38.294 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.736 -41.946 38.607 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -10.221 -34.251 38.795 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -10.903 -33.663 38.452 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -10.381 -35.103 38.327 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 0.739 -41.422 45.011 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -0.035 -41.890 44.621 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 1.380 -42.137 45.192 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -9.211 -35.456 41.076 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -10.030 -35.669 41.578 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -9.537 -34.967 40.290 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 4.182 -39.420 43.170 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 4.812 -40.101 42.858 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 3.352 -39.623 42.688 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -2.110 -15.617 0.052 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -2.596 -15.873 -0.759 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -1.230 -15.348 -0.274 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -5.102 -25.824 10.329 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.302 -25.820 11.303 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -5.971 -25.685 9.908 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.985 -24.369 14.603 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.599 -25.226 14.332 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -7.252 -23.917 15.068 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -6.559 -34.133 15.916 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.871 -33.926 15.245 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -6.111 -34.005 16.761 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -7.336 -32.726 13.473 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -7.625 -33.083 14.326 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.393 -32.972 13.421 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -5.689 -28.960 12.452 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -6.552 -29.430 12.339 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -5.929 -28.123 12.881 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 2.703 -32.217 11.026 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 3.236 -32.665 11.717 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 1.833 -32.074 11.446 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -9.967 -23.219 18.260 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -10.350 -23.679 17.484 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -9.488 -22.456 17.872 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -0.049 -31.717 11.534 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -0.643 -30.950 11.717 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -0.283 -31.984 10.638 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -0.013 -26.069 6.931 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -0.844 -26.063 7.430 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 0.494 -26.802 7.332 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -7.917 -30.496 12.057 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -8.606 -30.831 11.483 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -7.695 -31.262 12.638 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -5.367 -23.130 12.161 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -6.115 -22.973 11.564 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -5.484 -24.065 12.452 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -8.468 -27.667 14.466 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -7.565 -27.276 14.490 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -8.428 -28.388 15.121 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -7.634 -26.473 17.215 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -7.081 -26.316 16.422 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -7.793 -27.437 17.203 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -1.803 -27.109 9.031 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -2.046 -26.188 9.260 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -2.487 -27.651 9.476 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -9.845 -22.115 20.809 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.941 -22.511 19.916 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -10.583 -22.508 21.324 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -9.910 -24.085 9.342 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -10.716 -23.773 8.916 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.209 -24.376 10.241 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -5.797 -20.993 9.776 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.547 -21.618 9.869 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -5.102 -21.519 9.337 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -8.944 -38.079 16.973 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -8.341 -38.569 17.580 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -9.617 -38.725 16.737 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -3.826 -30.983 13.135 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -3.025 -30.577 12.759 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -4.515 -30.297 13.027 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -5.860 -31.782 19.631 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -5.968 -31.942 20.600 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -5.198 -31.083 19.580 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -4.663 -33.413 14.057 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -3.849 -33.948 14.169 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -4.331 -32.536 13.748 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -8.913 -35.321 16.638 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -8.823 -36.291 16.561 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -8.084 -34.970 16.244 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -2.326 -34.931 14.589 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -2.121 -35.748 14.081 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.304 -35.216 15.514 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -4.990 -28.284 16.772 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -5.391 -27.720 16.076 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -4.216 -27.780 17.070 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -3.841 -28.210 10.565 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -4.267 -27.341 10.395 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -4.464 -28.660 11.178 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -10.834 -26.476 13.978 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -11.417 -27.241 13.938 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.936 -26.865 14.137 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -6.232 -23.988 7.458 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -6.769 -24.103 6.668 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -6.633 -24.599 8.111 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -9.603 -30.621 20.773 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -9.095 -30.863 19.967 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -9.936 -29.737 20.583 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 2.585 -32.672 8.348 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 2.619 -32.586 9.330 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 2.449 -33.638 8.196 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 1.330 -22.144 11.364 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 1.527 -22.318 10.411 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 0.446 -22.544 11.499 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.504 -24.717 11.879 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -10.085 -23.967 12.342 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -10.704 -25.358 12.596 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -7.843 -22.621 10.548 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -8.318 -22.599 11.407 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -8.453 -23.096 9.953 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -9.110 -22.559 12.954 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.634 -23.188 13.547 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -9.642 -22.012 13.568 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -4.049 -22.580 8.246 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -3.745 -22.134 7.450 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -4.818 -23.121 7.944 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -0.033 -18.818 5.112 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -0.818 -18.282 5.364 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -0.390 -19.694 4.943 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -1.779 -29.627 11.741 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -1.328 -28.828 12.100 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -2.498 -29.259 11.184 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -8.708 -36.715 22.677 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -9.252 -37.235 22.047 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -8.275 -37.391 23.234 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -7.655 -25.619 9.219 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -8.463 -25.059 9.163 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -7.961 -26.429 9.648 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -6.748 -34.375 19.566 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -6.326 -33.496 19.575 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -6.224 -34.895 20.205 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -2.754 -24.588 9.658 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -3.080 -23.794 9.182 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -3.577 -25.028 9.976 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -9.095 -22.048 23.519 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -9.548 -22.882 23.712 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -9.134 -21.979 22.543 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -8.880 -25.483 19.426 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -9.249 -24.660 19.048 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -8.395 -25.893 18.674 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -8.306 -31.400 18.480 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -7.392 -31.605 18.779 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -8.740 -32.273 18.421 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -9.341 -34.007 18.929 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -9.348 -34.364 18.007 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.438 -34.232 19.263 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.685 -29.199 16.753 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -7.935 -29.993 17.267 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -6.707 -29.188 16.786 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -10.661 -33.163 21.225 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.337 -33.541 20.379 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.406 -32.217 21.177 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -10.126 -36.743 19.129 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -9.695 -37.083 18.323 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -9.986 -35.783 19.086 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -6.265 -32.510 22.196 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -7.050 -33.112 22.257 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -5.625 -32.890 22.842 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -10.625 -38.201 21.313 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -10.507 -37.623 20.520 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -11.079 -38.997 20.960 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -10.742 -36.140 24.463 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -9.972 -36.155 23.859 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -11.386 -35.542 24.014 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -0.984 -23.668 11.516 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -1.525 -24.090 10.810 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -1.605 -23.037 11.941 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -0.719 -27.294 12.532 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -0.967 -26.806 13.333 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -0.094 -26.696 12.075 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 0.826 -30.679 7.744 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 0.327 -31.046 7.009 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 1.489 -31.376 7.956 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 0.319 -33.596 13.573 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -0.560 -33.895 13.868 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 0.126 -32.911 12.901 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -2.892 -21.859 12.459 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -3.786 -22.252 12.312 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -2.874 -21.659 13.414 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.462 -21.542 15.169 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.975 -21.306 15.985 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.786 -22.451 15.341 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -8.537 -21.193 17.093 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -7.997 -20.997 16.298 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -7.884 -21.207 17.822 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -10.472 -24.254 15.712 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.523 -24.318 15.465 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -10.877 -25.035 15.287 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -6.773 -20.153 12.183 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -6.260 -20.282 11.351 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -7.595 -20.641 12.030 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -6.247 -41.051 12.673 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -5.468 -41.159 12.079 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.480 -40.118 12.590 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 1.337 -37.361 12.554 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 1.683 -36.586 13.049 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 1.934 -38.093 12.811 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 2.468 -35.244 13.923 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 1.677 -34.654 13.905 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 3.165 -34.717 13.496 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -1.471 -37.042 13.044 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -0.508 -37.206 12.989 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -1.770 -37.109 12.134 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 1.173 -19.509 10.707 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 1.381 -20.436 10.956 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 0.192 -19.475 10.732 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -6.258 -17.610 24.739 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.232 -17.459 24.738 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -6.134 -18.361 24.110 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.511 -26.169 29.487 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.494 -26.253 29.520 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -8.218 -26.981 29.019 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -8.308 -26.522 32.189 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -8.113 -27.474 32.257 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -8.282 -26.340 31.227 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -7.512 -36.760 32.121 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -7.375 -36.684 31.146 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -7.211 -37.653 32.331 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 2.546 -23.890 32.542 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 2.975 -24.399 31.832 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 1.686 -23.651 32.179 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -10.071 -29.389 29.959 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -9.993 -30.315 29.647 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -9.303 -28.942 29.553 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -4.009 -21.752 30.899 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -4.608 -21.356 30.217 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -4.591 -22.317 31.420 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -7.415 -29.236 32.751 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -6.695 -29.185 32.093 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -7.299 -30.119 33.162 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -5.942 -20.698 29.327 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -6.886 -20.906 29.477 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -5.946 -20.148 28.518 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -0.554 -25.923 38.926 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -0.446 -25.639 38.000 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 0.360 -26.047 39.245 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -7.211 -28.561 36.178 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -6.630 -27.776 36.260 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -6.873 -29.022 35.403 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -6.457 -19.363 26.937 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -6.532 -20.113 26.308 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -6.120 -18.630 26.392 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.765 -30.509 32.398 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.564 -30.021 31.576 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.594 -29.862 33.109 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -8.805 -31.521 28.769 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -7.906 -31.398 29.136 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.687 -31.381 27.802 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -6.639 -34.478 41.055 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -6.834 -33.944 40.257 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -7.508 -34.866 41.295 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -8.449 -33.998 22.488 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -8.455 -34.970 22.620 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.297 -33.814 22.033 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -6.213 -30.637 29.219 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -5.780 -30.102 29.912 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -5.522 -31.254 28.928 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -7.946 -31.244 26.189 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -8.129 -31.059 25.240 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -7.301 -31.967 26.169 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.340 -34.538 22.955 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -11.751 -34.040 22.349 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -13.207 -34.154 22.809 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -5.699 -33.674 31.398 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -6.174 -34.177 32.087 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -5.192 -33.014 31.902 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.902 -28.592 28.392 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -8.144 -28.821 27.483 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.264 -29.292 28.651 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -5.280 -26.573 35.799 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -4.701 -25.850 36.120 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -5.986 -26.106 35.286 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -9.589 -28.972 34.419 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -8.859 -28.963 33.767 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.275 -28.393 35.131 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -2.845 -27.659 36.377 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -3.811 -27.740 36.252 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -2.727 -26.738 36.686 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 5.173 -28.102 36.751 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 4.438 -27.477 36.901 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 4.832 -28.704 36.073 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.124 -26.836 29.813 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.961 -27.786 29.992 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.081 -26.760 29.790 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -8.242 -23.711 28.230 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -8.254 -24.583 28.672 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -7.514 -23.781 27.574 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.694 -24.373 35.419 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -10.455 -24.229 35.983 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -10.040 -24.246 34.506 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 0.467 -25.523 36.347 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 0.315 -26.375 35.862 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 1.350 -25.640 36.750 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -6.212 -23.580 26.343 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -5.380 -23.912 25.982 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -6.343 -22.718 25.894 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -9.153 -18.928 27.511 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -8.191 -18.932 27.324 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.466 -18.078 27.143 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -8.382 -34.191 28.169 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -9.103 -34.722 27.757 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -8.815 -33.352 28.425 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.972 -31.713 34.104 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -6.438 -32.509 33.927 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -7.900 -32.023 33.996 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.303 -36.369 29.402 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -6.336 -36.219 29.328 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -7.700 -35.557 29.013 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.800 -21.253 24.916 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -6.378 -20.745 24.191 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -7.645 -21.565 24.526 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -9.940 -36.135 27.067 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -9.366 -36.922 27.076 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.314 -36.118 26.159 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -11.505 -23.582 22.392 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -12.380 -23.978 22.409 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -10.894 -24.348 22.276 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -9.626 -25.477 22.040 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -9.349 -25.478 21.090 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -9.008 -26.078 22.464 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -1.806 -27.031 33.935 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -0.902 -27.276 34.232 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.338 -27.073 34.751 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -6.005 -33.661 26.936 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -6.894 -33.880 27.294 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -5.391 -34.037 27.590 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -9.896 -31.320 35.894 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -9.954 -30.468 35.418 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -9.857 -31.986 35.182 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.229 -30.868 23.406 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.498 -31.386 23.024 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.848 -30.753 22.665 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -7.834 -30.830 37.609 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -7.646 -29.913 37.316 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -8.628 -31.087 37.087 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.768 -35.262 35.166 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -8.949 -34.757 35.245 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -9.959 -35.256 34.210 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.466 -32.628 33.501 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -10.001 -31.963 33.003 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -9.590 -33.460 32.998 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -7.370 -25.501 34.542 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -8.140 -25.059 34.965 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -7.710 -25.786 33.668 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -5.262 -31.278 36.325 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -5.760 -31.475 35.510 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -5.954 -31.149 36.998 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -0.814 -29.490 36.751 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -1.673 -29.053 36.582 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -0.180 -28.996 36.175 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -6.463 -34.771 33.797 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -6.966 -35.466 33.331 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -5.770 -35.265 34.280 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.519 -34.473 38.495 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -4.388 -34.694 38.096 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.272 -33.618 38.077 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -7.894 -37.336 37.717 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -7.107 -37.839 37.417 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.063 -37.674 38.628 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -11.163 -37.783 39.805 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -10.223 -38.010 39.976 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -11.172 -37.501 38.870 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -6.092 -19.568 22.840 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -5.272 -19.496 22.297 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -6.787 -19.805 22.185 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 4.660 -23.905 36.779 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 4.211 -24.012 37.652 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 5.559 -23.640 37.010 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 1.504 -29.245 40.052 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 1.620 -29.927 39.347 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 0.567 -28.964 39.955 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 1.668 -23.423 35.065 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 1.277 -24.248 35.403 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 2.081 -23.682 34.213 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -10.365 -24.114 32.794 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -10.109 -23.369 32.238 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -10.060 -24.894 32.304 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.263 -24.946 36.823 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -3.243 -24.612 37.726 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -2.690 -24.314 36.321 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -1.390 -23.322 35.769 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -0.624 -23.904 35.915 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -1.046 -22.614 35.210 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -8.672 -21.202 29.181 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -8.945 -20.680 28.408 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -8.604 -22.125 28.839 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -4.805 -35.213 29.328 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -5.168 -34.594 30.002 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -4.080 -35.671 29.793 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -9.728 -35.155 32.379 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -10.244 -35.311 31.581 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -8.941 -35.733 32.274 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -2.697 -36.666 30.866 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -2.218 -35.884 31.207 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -2.161 -37.425 31.177 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 2.116 -39.841 41.462 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 1.569 -40.589 41.128 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 1.460 -39.150 41.697 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.310 -31.363 39.592 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -1.430 -30.393 39.642 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -1.888 -31.638 38.842 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -6.022 -35.254 37.619 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -6.510 -34.481 37.973 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -6.696 -35.961 37.585 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.482 -36.603 37.399 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -9.574 -36.966 37.499 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -10.471 -36.187 36.508 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -5.147 -36.650 41.851 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -4.392 -36.564 41.225 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -5.697 -35.858 41.670 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -3.899 -33.739 41.198 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -3.724 -34.001 40.273 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -4.862 -33.849 41.298 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 1.059 -31.518 42.136 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 0.878 -30.897 41.415 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 0.220 -32.018 42.237 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -1.236 -33.063 41.694 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -2.181 -33.303 41.821 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -1.249 -32.463 40.912 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -1.072 -28.608 39.352 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -1.015 -28.892 38.413 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -1.146 -27.630 39.301 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 1.033 -31.154 38.205 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 0.276 -31.483 38.729 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 0.622 -30.799 37.398 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 0.180 -35.310 41.104 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.413 -34.586 41.410 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 0.071 -35.307 40.125 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.771 -32.054 37.369 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.570 -31.672 36.940 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.107 -32.093 36.654 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 1.495 -38.926 45.600 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 1.230 -39.861 45.416 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 0.682 -38.413 45.416 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 4.579 -36.291 46.757 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 4.778 -36.592 47.668 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 3.617 -36.114 46.769 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 0.430 -37.824 42.257 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 0.225 -36.936 41.877 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -0.107 -37.866 43.078 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -7.616 -33.321 38.750 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.561 -33.589 38.750 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -7.630 -32.391 38.431 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -1.617 -9.447 -4.318 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -1.090 -8.820 -3.804 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -1.951 -8.915 -5.072 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 1.764 -17.424 -2.001 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 2.116 -16.531 -2.188 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 0.881 -17.429 -2.429 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 2.806 -14.887 -2.031 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 2.898 -14.278 -2.794 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 3.684 -14.864 -1.600 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 0.369 -4.480 -7.028 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 0.026 -3.561 -6.977 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -0.419 -5.016 -7.235 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.058 -5.978 0.009 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -0.378 -5.562 -0.771 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -0.545 -5.774 0.754 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -3.143 -8.391 0.622 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -2.853 -8.729 1.490 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -2.589 -8.881 -0.021 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -1.370 -5.215 -2.140 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -2.228 -5.396 -1.703 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -1.330 -5.861 -2.875 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -0.807 -13.811 -3.182 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -1.744 -13.865 -3.376 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -0.483 -13.082 -3.764 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 0.574 -8.247 -1.435 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 0.241 -7.465 -0.959 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -0.099 -8.936 -1.260 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -1.560 -4.953 2.030 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.040 -4.124 1.988 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -2.049 -4.878 2.866 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.493 -10.007 -0.994 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.709 -10.357 -1.871 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -1.161 -10.793 -0.494 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -0.222 -2.595 2.479 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -0.859 -2.668 3.227 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -0.512 -1.794 1.997 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 2.151 -12.168 1.215 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 2.441 -11.238 1.087 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 2.939 -12.692 1.005 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -3.605 -15.911 -5.035 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -3.411 -15.229 -5.688 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -3.959 -16.643 -5.553 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -4.864 3.385 -5.092 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -4.933 3.751 -6.006 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -5.778 3.216 -4.838 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -2.893 -2.543 -0.237 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -3.260 -3.447 -0.251 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -3.681 -1.962 -0.300 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -3.217 -5.573 -0.106 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -2.729 -5.354 0.713 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -3.511 -6.494 0.033 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -6.176 -8.405 4.444 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -6.967 -7.868 4.354 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -6.011 -8.745 3.533 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -4.513 -11.939 2.438 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -4.116 -12.155 3.309 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.344 -12.743 1.894 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -5.512 -9.395 1.980 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.885 -9.016 1.340 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -5.314 -10.353 1.976 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.366 -16.211 -2.326 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.460 -16.048 -3.291 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -4.218 -16.582 -2.067 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -3.969 -14.471 1.689 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.342 -14.865 1.045 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.820 -14.978 2.507 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.952 -5.609 -8.031 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.656 -5.653 -8.949 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -2.597 -4.891 -8.022 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -2.400 -7.725 -6.305 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -3.142 -8.254 -6.681 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -2.273 -7.001 -6.952 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -4.412 -9.262 -7.308 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.858 -9.492 -8.130 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -4.874 -9.775 -6.635 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -0.209 -11.728 -4.807 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 0.634 -11.273 -5.019 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -0.839 -10.992 -4.648 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -0.430 -12.194 0.304 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 0.457 -12.102 0.711 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -0.376 -13.036 -0.182 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 0.220 -15.229 1.888 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 0.402 -14.970 0.961 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.715 -15.484 1.879 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 3.784 -13.702 3.856 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 3.945 -13.840 2.904 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 3.146 -14.406 4.093 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 1.579 -2.333 -0.477 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 1.973 -1.593 0.039 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 0.618 -2.139 -0.477 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 0.305 -14.617 -0.859 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 1.251 -14.764 -1.085 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -0.107 -14.376 -1.725 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -0.782 -1.779 -1.810 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -1.259 -1.172 -2.413 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -1.499 -2.226 -1.311 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -0.045 -3.749 -4.051 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -0.070 -4.539 -4.618 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.608 -3.990 -3.287 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 0.771 -14.860 13.357 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 1.696 -14.734 13.653 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.491 -15.702 13.791 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -1.068 -11.614 16.661 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -1.061 -12.089 15.798 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.016 -11.550 16.889 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -5.552 -13.393 11.680 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -5.205 -14.283 11.893 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -5.800 -13.023 12.537 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 2.021 -13.713 16.803 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 1.415 -13.377 17.492 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 2.313 -14.581 17.149 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -0.966 -12.990 14.335 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -1.848 -13.425 14.262 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -0.332 -13.688 14.058 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -2.552 -18.240 15.100 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -3.058 -17.459 15.428 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -3.229 -18.822 14.730 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -6.972 -20.895 14.852 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -6.672 -20.647 13.951 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -6.475 -21.715 15.052 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -6.648 -13.837 3.565 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -6.013 -13.127 3.377 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -7.169 -13.906 2.758 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -4.465 -10.325 8.258 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -5.209 -9.949 8.744 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -4.425 -11.260 8.568 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -6.605 -11.114 20.318 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -7.202 -10.641 19.729 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -6.571 -12.030 19.944 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -4.210 -9.936 5.532 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -4.344 -9.998 6.501 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -4.943 -9.350 5.225 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -2.802 -16.665 8.509 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -3.597 -16.095 8.485 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -2.794 -17.099 7.639 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -1.321 0.903 3.493 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -1.452 1.782 3.073 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -1.191 0.299 2.735 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -1.900 -12.431 20.559 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -2.610 -11.762 20.712 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -2.222 -13.230 21.038 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -9.143 -19.277 14.342 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -9.883 -19.891 14.512 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -8.346 -19.807 14.540 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -0.095 -16.561 18.375 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -0.735 -15.939 18.001 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -0.395 -16.675 19.311 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -2.724 -9.838 3.064 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.339 -10.495 2.684 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -3.172 -9.538 3.880 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -4.364 -12.892 9.288 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -4.831 -13.007 10.151 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -4.627 -13.682 8.769 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -6.502 -13.676 19.550 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -6.245 -14.485 19.066 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -6.668 -13.991 20.466 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -3.323 -14.291 14.166 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -3.379 -14.955 14.892 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -3.592 -14.792 13.364 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -5.487 -13.057 15.342 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -4.697 -13.362 14.855 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -5.124 -12.539 16.080 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -3.607 -15.235 4.426 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -4.473 -15.479 4.816 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -3.544 -14.267 4.571 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -3.397 -12.469 4.871 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -2.690 -12.717 5.514 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -3.725 -11.602 5.200 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -2.193 -3.011 4.276 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -2.814 -2.258 4.264 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -1.853 -3.023 5.199 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -1.077 -7.703 6.554 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -1.186 -8.434 7.197 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -1.750 -7.064 6.808 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -1.728 -9.821 8.290 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -2.704 -9.781 8.228 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -1.547 -10.748 8.564 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -3.779 -16.070 16.130 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -3.519 -15.978 17.078 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -4.761 -16.003 16.143 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -6.100 -15.662 5.507 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -6.381 -14.944 4.886 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -6.723 -16.377 5.335 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -3.767 -12.134 17.523 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -4.109 -11.610 18.262 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -3.580 -12.999 17.915 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.907 -16.123 22.374 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 1.181 -15.206 22.186 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 0.101 -16.253 21.824 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -4.798 -0.511 -0.134 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -5.699 -0.502 -0.475 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -4.909 -0.402 0.844 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -5.153 -9.977 23.637 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -5.772 -10.729 23.555 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -5.332 -9.617 24.509 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -8.351 -16.698 14.254 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -8.711 -17.608 14.397 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -9.079 -16.221 13.840 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -6.485 -15.636 15.970 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -6.417 -14.685 15.744 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -7.168 -15.983 15.352 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -2.683 -14.522 22.145 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -3.544 -14.909 22.403 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -2.149 -15.302 21.875 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -3.995 -10.781 21.229 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -4.105 -10.384 22.119 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -4.906 -10.829 20.879 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -3.103 -15.846 18.740 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -4.049 -15.990 18.964 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -2.623 -16.077 19.562 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -5.838 -16.189 18.605 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -6.232 -16.160 17.707 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -6.428 -16.803 19.108 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 1.719 -8.185 8.491 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 2.639 -8.340 8.759 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 1.189 -8.614 9.191 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.208 -9.680 10.387 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.599 -9.653 9.842 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.042 -10.236 11.161 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -1.656 -12.371 9.242 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -2.587 -12.615 9.448 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -1.122 -12.892 9.886 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 3.549 -9.699 21.034 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 2.848 -9.045 20.977 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 3.181 -10.489 20.577 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -1.497 -13.251 6.649 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -1.061 -14.112 6.817 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -1.579 -12.851 7.538 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 0.234 -12.671 18.795 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -0.464 -12.696 19.489 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -0.211 -12.239 18.031 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -0.440 -15.609 7.605 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 0.362 -15.687 8.140 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -1.152 -15.965 8.185 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 2.669 -13.852 22.064 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 2.849 -13.601 22.993 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 3.551 -14.070 21.705 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -2.011 -17.059 5.799 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -2.544 -16.478 5.213 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -1.379 -16.448 6.231 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -0.931 -18.996 17.220 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -1.526 -18.767 16.479 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.592 -18.137 17.535 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -4.316 -15.833 12.176 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -4.939 -16.508 12.547 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -3.706 -16.349 11.633 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -1.601 -19.927 10.871 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -2.035 -20.637 11.391 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -2.328 -19.489 10.416 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 2.110 -17.405 6.011 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 1.403 -18.007 5.674 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 2.874 -17.573 5.415 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 -6.006 -17.713 13.133 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 -6.804 -17.368 13.582 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 -6.292 -18.581 12.772 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -5.150 -15.255 8.047 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -5.391 -15.307 7.094 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 -5.934 -15.578 8.505 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 -1.300 -2.598 6.844 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 -1.595 -2.947 7.690 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 -0.572 -1.981 7.080 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -7.787 -20.337 20.839 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -7.248 -20.747 20.131 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -8.615 -20.868 20.845 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -1.168 -18.029 32.975 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -2.053 -18.423 32.782 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -1.344 -17.090 33.076 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 -3.870 -15.044 28.572 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 -3.593 -14.167 28.238 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 -4.551 -15.340 27.923 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 3.430 -15.642 35.513 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 2.858 -15.551 36.280 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 2.807 -15.646 34.747 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 -1.337 -22.430 31.212 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 -2.255 -22.138 31.032 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -1.313 -23.349 30.891 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.087 -20.572 32.964 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.647 -21.120 32.376 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.575 -19.722 33.040 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 -6.730 -12.126 22.924 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 -6.891 -13.066 22.683 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 -6.741 -11.657 22.064 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 -3.192 -12.955 26.924 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -4.143 -12.884 26.729 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 -2.763 -12.793 26.054 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -0.503 -11.580 22.791 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -0.866 -11.779 21.907 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 0.436 -11.768 22.710 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -5.484 -15.477 26.447 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -5.467 -14.661 25.905 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -5.753 -16.173 25.820 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -7.591 -17.693 20.048 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -8.084 -17.221 20.749 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -7.675 -18.636 20.293 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -11.621 -16.577 29.220 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -12.200 -16.284 29.927 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -11.253 -17.429 29.548 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 -11.951 -14.454 25.778 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -12.660 -14.274 25.154 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -12.120 -13.854 26.512 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -3.365 -19.349 32.200 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -3.603 -18.630 31.575 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -3.613 -20.167 31.731 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 -4.765 -16.191 22.921 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 -5.234 -16.659 23.638 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 -3.958 -16.751 22.758 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 -2.609 -12.665 24.252 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 -2.620 -13.381 23.584 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 -1.926 -12.043 23.922 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -10.394 -16.494 26.741 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -10.890 -15.777 26.289 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 -10.785 -16.516 27.645 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 -8.940 -17.401 24.610 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 -9.407 -18.270 24.525 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 -9.413 -16.948 25.342 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 -10.278 -19.724 24.483 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 -9.892 -20.528 24.078 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 -10.726 -20.049 25.271 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 2.142 -20.840 34.505 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 1.881 -21.717 34.858 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 1.368 -20.558 33.976 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -6.866 -14.681 22.034 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -7.624 -15.305 22.044 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -6.102 -15.228 22.334 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 2.292 -13.609 26.671 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 2.718 -13.116 25.944 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 1.371 -13.259 26.698 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -0.514 -17.908 24.454 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 0.129 -17.476 23.868 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -1.363 -17.862 23.949 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -5.246 -13.105 25.031 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 -5.883 -12.777 24.365 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 -4.370 -12.884 24.652 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 -0.117 -16.182 26.520 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 -0.448 -16.762 25.798 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 0.861 -16.238 26.439 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 0.317 -15.906 30.975 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 1.055 -15.584 30.402 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 -0.483 -15.726 30.450 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 3.243 -16.747 23.508 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.405 -16.590 23.017 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 2.977 -16.697 24.450 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 4.618 -21.879 34.785 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 4.460 -22.622 35.402 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 3.726 -21.472 34.670 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 -10.427 -18.937 29.959 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 -9.977 -18.918 29.089 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 -10.051 -19.711 30.398 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 -3.466 -17.124 30.623 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 -2.622 -17.001 30.159 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 -4.064 -16.492 30.195 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -8.990 -16.444 22.083 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -9.938 -16.428 21.911 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -8.918 -16.800 22.999 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 0.765 -0.431 -5.404 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 0.479 0.470 -5.655 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 0.292 -1.012 -6.029 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -1.898 0.273 -3.356 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -1.091 0.674 -2.965 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -2.570 0.978 -3.283 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 -0.377 8.034 -1.429 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 -1.287 8.134 -1.135 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -0.456 7.808 -2.381 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -2.757 1.379 -0.471 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -3.497 0.738 -0.395 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -2.955 1.870 -1.299 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 -3.296 2.636 -2.904 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 -3.952 2.821 -3.609 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 -2.693 3.413 -2.932 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 0.011 1.452 -1.881 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -0.581 1.454 -1.116 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 0.323 2.380 -1.944 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 -1.677 2.873 1.624 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 -1.156 3.590 1.220 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 -2.190 2.501 0.881 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 2.037 8.128 -0.198 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 1.196 7.996 -0.707 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 1.897 8.959 0.272 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 -2.173 3.861 -5.724 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 -3.111 3.612 -5.605 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 -1.912 4.226 -4.848 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 -1.597 4.759 -3.232 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 -0.838 4.523 -2.653 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 -1.432 5.698 -3.469 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -0.724 -1.982 -7.249 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -0.667 -1.582 -8.124 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -1.444 -1.474 -6.799 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 -2.228 -0.130 -6.043 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 -1.713 0.677 -6.232 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -2.264 -0.167 -5.065 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -1.456 -0.593 1.105 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 -1.969 -1.326 0.699 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 -1.761 0.201 0.626 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 4.844 -2.260 1.404 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 4.394 -1.513 0.968 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 5.588 -2.479 0.804 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 0.667 4.295 1.087 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 1.445 4.887 1.175 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 0.793 3.634 1.779 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 2.976 -0.282 0.708 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 3.251 0.644 0.673 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 2.763 -0.436 1.663 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -5.204 -0.162 2.511 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -4.520 -0.399 3.173 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -5.844 0.354 3.011 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 2.579 -0.855 3.279 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 1.982 -0.468 3.969 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 3.414 -1.040 3.760 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 -3.383 -0.505 4.569 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 -3.383 -0.343 5.520 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 -2.648 0.060 4.229 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 10.957 -45.420 13.172 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 11.683 -45.997 12.839 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 11.414 -44.586 13.419 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 18.364 -42.658 13.603 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 19.159 -42.257 14.027 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 18.059 -43.312 14.245 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 3.135 -42.755 15.625 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 2.525 -43.504 15.464 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 3.553 -42.967 16.481 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 12.313 -43.101 13.930 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 13.148 -43.533 14.160 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 12.559 -42.153 13.811 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 9.760 -46.608 15.382 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 9.995 -46.313 14.476 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.263 -46.007 15.961 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 7.263 -46.438 16.568 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 7.553 -45.645 17.082 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 7.971 -46.562 15.906 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 8.289 -44.482 18.091 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 9.080 -44.811 18.564 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 8.017 -43.695 18.606 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.033 -40.471 13.576 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.382 -40.512 12.652 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.222 -39.549 13.861 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 13.765 -40.561 10.973 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 13.012 -40.580 10.380 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 14.474 -40.124 10.446 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 17.440 -52.698 15.463 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 17.974 -53.490 15.520 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 16.902 -52.827 14.681 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 13.817 -45.823 15.193 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 13.087 -45.876 15.832 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 14.626 -45.912 15.745 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 9.040 -44.244 11.659 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 8.895 -44.737 10.847 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.656 -44.808 12.177 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 4.613 -44.837 13.666 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 5.574 -44.754 13.652 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 4.298 -43.999 13.300 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 10.402 -39.626 13.358 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 11.328 -39.929 13.432 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 9.878 -40.441 13.460 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.082 -43.570 18.182 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.553 -43.947 18.952 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 3.135 -43.813 18.345 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 6.293 -34.298 7.841 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 6.006 -34.582 8.739 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 6.361 -35.120 7.346 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 8.539 -35.787 10.984 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 8.283 -35.789 11.944 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 8.414 -36.700 10.706 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 20.452 -45.414 19.596 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 20.039 -45.188 20.456 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 21.089 -46.130 19.820 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 5.530 -41.270 18.606 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 5.113 -40.892 19.399 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 4.912 -41.974 18.325 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 11.382 -47.747 20.081 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 12.353 -47.886 20.116 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 11.099 -48.241 19.295 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 11.764 -46.000 17.261 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 11.277 -45.592 18.015 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 11.544 -46.950 17.326 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 7.814 -42.320 19.716 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 8.249 -41.438 19.683 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 6.905 -42.141 19.400 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 16.069 -45.921 16.787 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 16.483 -45.119 16.419 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 16.769 -46.307 17.355 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 1.618 -44.332 18.919 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 1.664 -43.688 19.660 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 1.196 -45.113 19.308 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 7.928 -48.126 18.664 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 7.556 -47.620 17.913 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 8.853 -48.275 18.414 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 17.895 -42.872 21.305 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 17.361 -42.052 21.132 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 18.407 -42.651 22.115 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.331 -46.651 12.629 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.598 -46.397 13.542 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 14.158 -46.869 12.192 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 4.724 -37.588 9.398 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 4.984 -38.042 10.229 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 4.943 -36.649 9.564 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 3.145 -39.216 13.530 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 2.686 -39.354 14.364 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.551 -40.089 13.331 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 4.604 -45.598 20.115 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 4.331 -45.985 19.261 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 5.255 -46.239 20.467 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 9.560 -43.415 21.544 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 9.851 -42.624 22.019 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 8.844 -43.090 20.951 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 10.468 -45.219 19.576 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 10.282 -44.637 20.344 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 10.742 -46.072 19.982 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 10.493 -48.459 17.346 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 10.803 -49.303 16.992 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 10.083 -48.009 16.572 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.343 -45.260 20.460 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 14.022 -45.176 21.386 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.279 -46.217 20.275 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 13.266 -44.022 18.330 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 13.595 -44.592 19.061 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 12.803 -44.641 17.737 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 2.005 -37.455 9.721 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 2.976 -37.585 9.634 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 1.856 -37.382 10.684 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 3.066 -41.198 10.714 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 3.897 -41.013 10.264 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 3.335 -41.483 11.603 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 17.438 -43.518 16.433 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.047 -43.502 17.333 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 18.398 -43.681 16.595 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 4.634 -46.160 17.306 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.595 -45.188 17.316 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 5.553 -46.362 17.023 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 16.487 -43.525 19.047 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 17.133 -43.331 19.767 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 16.046 -44.343 19.340 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 21.655 -47.645 20.659 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 20.778 -47.923 20.987 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 22.287 -48.121 21.232 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 13.136 -37.762 14.174 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 12.207 -37.470 14.053 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 13.647 -36.950 14.120 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 4.215 -41.767 13.310 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 3.821 -42.089 14.155 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 5.186 -41.810 13.468 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 6.774 -42.336 14.221 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 6.847 -42.196 15.172 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 7.704 -42.338 13.910 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 9.532 -42.358 13.606 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.314 -42.911 12.823 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.433 -42.643 13.854 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 15.446 -39.214 9.313 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 15.389 -38.635 8.520 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 16.330 -39.032 9.675 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 13.751 -46.764 30.701 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 13.717 -47.062 31.638 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 12.814 -46.826 30.396 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 5.350 -42.937 33.274 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 5.173 -43.836 32.924 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 6.105 -43.059 33.876 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 4.508 -47.795 26.632 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 3.808 -47.248 26.231 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 5.171 -47.884 25.927 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 4.391 -51.026 29.121 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 4.657 -51.892 29.495 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 4.083 -51.237 28.237 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 3.656 -47.852 32.030 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 3.887 -48.040 31.093 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 4.094 -48.577 32.538 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 7.646 -42.780 35.343 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 7.021 -42.800 36.081 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 8.391 -42.226 35.679 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 5.039 -53.612 29.868 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 5.649 -54.280 29.538 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 4.714 -53.974 30.697 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 5.473 -38.415 35.879 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 5.989 -38.276 35.070 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 5.228 -37.505 36.168 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 13.957 -46.124 27.956 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.946 -46.290 28.922 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 14.364 -45.226 27.870 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 9.638 -45.412 23.420 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 10.365 -45.053 23.978 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 9.507 -44.726 22.733 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 17.875 -45.648 33.677 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 18.354 -44.790 33.841 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 17.511 -45.546 32.774 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 13.829 -47.962 33.212 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 14.504 -47.621 33.830 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 14.142 -48.870 32.997 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 4.998 -41.592 28.243 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 4.991 -40.679 28.591 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 5.306 -41.500 27.336 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 2.175 -42.397 35.594 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 2.814 -42.506 36.334 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 2.123 -41.439 35.469 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 -2.136 -44.632 39.297 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 -1.890 -43.721 39.075 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 -2.146 -45.095 38.430 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 15.508 -49.829 41.018 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 15.480 -50.729 41.354 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 15.726 -49.285 41.805 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 2.901 -39.437 35.911 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 3.837 -39.169 36.030 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 2.485 -38.661 35.465 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 4.509 -49.799 33.723 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 3.882 -49.586 34.450 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 4.886 -50.643 33.976 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 6.483 -44.509 27.764 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 6.059 -44.645 26.890 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 5.839 -44.892 28.404 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 11.474 -45.956 26.869 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.607 -45.455 26.027 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.386 -46.084 27.214 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 10.801 -48.566 39.061 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 11.297 -49.369 38.884 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.199 -48.480 38.286 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 13.755 -49.446 27.448 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 13.000 -49.092 26.971 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 14.527 -49.005 27.041 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 2.541 -49.126 35.494 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 2.155 -48.937 36.354 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 1.999 -48.608 34.868 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 11.451 -47.974 34.917 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 11.991 -48.051 34.113 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 12.103 -47.787 35.622 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.624 -45.514 29.444 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 4.524 -46.490 29.411 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 4.546 -45.301 30.398 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 4.365 -48.282 29.355 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 4.440 -48.089 28.393 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 4.408 -49.263 29.401 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 5.777 -45.009 25.142 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 5.968 -45.940 24.891 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 6.209 -44.486 24.455 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 6.081 -47.581 24.191 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 5.497 -47.933 23.505 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 6.982 -47.683 23.813 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 4.030 -42.427 37.695 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 3.790 -41.851 38.449 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 4.516 -43.173 38.114 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 9.189 -43.805 33.287 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 9.579 -44.572 33.712 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 8.605 -43.422 33.974 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 17.336 -44.701 37.826 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.067 -45.557 37.463 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 18.176 -44.496 37.353 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 14.151 -47.998 20.001 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 14.621 -48.374 19.246 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 14.818 -48.008 20.729 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 13.239 -45.715 22.954 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 12.895 -46.586 23.171 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 12.721 -45.106 23.524 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 11.603 -46.434 40.564 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 11.152 -47.170 40.088 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 12.506 -46.431 40.187 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 20.625 -49.001 23.713 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 21.455 -49.090 23.199 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 19.968 -48.694 23.053 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 16.681 -45.593 31.073 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 15.718 -45.677 31.144 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 16.939 -46.329 30.475 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 2.735 -45.451 22.261 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.418 -45.335 21.570 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 2.061 -46.024 21.830 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 11.273 -47.006 29.568 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 10.380 -47.224 29.854 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 11.168 -46.731 28.637 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.624 -47.577 36.604 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 14.349 -47.362 35.983 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.028 -48.213 37.232 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 14.849 -49.227 29.939 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 14.407 -49.495 29.100 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 14.395 -48.397 30.192 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 4.344 -40.640 23.507 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 3.904 -39.931 24.004 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 3.722 -41.400 23.567 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 3.180 -45.909 24.955 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 3.098 -45.855 23.977 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 4.005 -45.420 25.152 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 0.822 -41.878 40.171 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -0.092 -42.136 39.974 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 1.126 -41.426 39.346 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 6.275 -47.716 20.800 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 6.759 -47.945 19.971 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 6.984 -47.644 21.473 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 12.452 -43.886 41.361 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 11.854 -43.649 42.101 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 12.097 -44.740 41.036 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 8.353 -47.654 22.618 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 9.063 -48.170 22.214 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 8.801 -46.827 22.924 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 16.444 -45.393 24.419 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 15.506 -45.169 24.394 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 16.458 -46.364 24.510 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 9.413 -48.428 36.694 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 8.619 -48.072 36.288 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 10.102 -48.334 35.997 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 13.455 -47.832 44.049 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 13.457 -46.865 43.877 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 14.294 -48.146 43.651 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 2.450 -42.603 23.577 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 2.485 -43.569 23.499 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 1.495 -42.410 23.747 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 19.206 -47.855 26.042 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 19.912 -48.324 25.562 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 19.346 -48.104 26.976 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 19.164 -45.395 24.752 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 18.204 -45.190 24.720 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 19.211 -46.236 25.251 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 16.177 -47.591 21.834 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 16.376 -47.928 22.737 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 16.309 -46.634 21.905 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 15.811 -47.725 26.841 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 16.474 -47.683 27.557 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 15.129 -47.071 27.112 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 4.054 -45.132 32.101 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 3.123 -44.822 32.177 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 3.992 -46.105 32.226 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 14.000 -46.412 39.154 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 14.438 -47.290 39.205 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 13.607 -46.400 38.260 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 15.163 -48.805 38.518 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 15.317 -49.272 39.374 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 16.043 -48.781 38.096 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 16.897 -48.142 24.426 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 17.826 -48.227 24.714 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 16.387 -48.196 25.266 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 15.882 -47.144 35.034 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 16.511 -46.590 34.524 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 16.443 -47.578 35.711 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 1.234 -47.901 33.297 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 2.103 -47.705 32.875 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 0.909 -48.671 32.817 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 6.237 -40.738 37.446 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 6.001 -39.990 36.870 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 5.440 -41.302 37.446 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 14.266 -40.836 48.780 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 14.833 -41.544 48.408 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 13.402 -40.970 48.341 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 12.269 -41.019 46.921 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 11.617 -41.488 46.348 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 12.713 -40.399 46.315 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 5.617 -43.696 42.763 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 4.709 -43.643 42.393 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 5.492 -43.581 43.730 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 14.892 -38.434 47.625 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.478 -39.130 48.177 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 14.375 -38.445 46.803 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.892 -42.398 47.259 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 15.742 -41.866 46.452 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 16.593 -43.010 47.012 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 9.995 -45.983 46.230 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 10.359 -46.632 45.595 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 9.045 -46.136 46.204 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 10.744 -47.881 44.330 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 11.717 -47.900 44.169 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 10.488 -48.809 44.327 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 14.404 -46.613 46.404 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 13.876 -46.610 47.211 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 13.971 -47.278 45.834 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 10.985 -43.999 43.614 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 10.358 -44.696 43.319 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 11.744 -44.499 43.983 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 13.448 -38.987 45.270 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 12.618 -38.558 45.575 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 13.451 -38.831 44.290 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 5.810 -39.461 47.420 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 5.001 -39.964 47.161 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 6.289 -39.338 46.578 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 13.501 -45.108 44.211 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 14.099 -44.542 43.683 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 13.955 -45.202 45.068 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 9.737 -39.546 44.398 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 8.916 -39.184 44.053 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 10.436 -39.197 43.781 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 10.100 -40.975 48.679 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 9.925 -41.936 48.619 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 10.921 -40.854 48.163 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 7.069 -43.600 47.501 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 8.029 -43.765 47.569 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.914 -42.860 48.127 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 5.348 -43.105 45.443 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 6.001 -43.406 46.122 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 5.279 -42.149 45.590 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 9.838 -43.553 47.542 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 9.987 -42.978 46.760 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 10.072 -44.451 47.224 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 15.525 -40.818 45.018 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 14.878 -40.083 45.112 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 15.227 -41.292 44.229 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 6.340 -41.026 42.520 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 6.244 -42.001 42.463 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 6.616 -40.757 41.615 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 7.636 -44.673 41.163 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 6.998 -44.427 41.860 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 8.324 -45.180 41.637 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 4.192 -40.860 39.977 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 3.529 -40.283 40.414 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 5.030 -40.361 40.044 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 17.800 -39.751 46.317 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 17.501 -39.819 47.251 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 17.044 -40.095 45.798 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.426 -39.330 44.689 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.706 -40.029 44.060 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 5.475 -39.196 44.477 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 5.476 -44.010 39.435 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 6.323 -44.274 39.852 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 4.839 -44.015 40.169 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.363 -42.036 45.330 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 10.488 -42.682 44.594 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 10.017 -41.229 44.887 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 9.635 -46.079 42.509 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 10.191 -46.247 41.719 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 9.875 -46.799 43.125 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.982 -43.541 42.443 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 14.086 -43.387 42.077 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 15.425 -44.079 41.758 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 3.381 -43.186 41.209 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 3.711 -42.377 40.765 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 2.418 -43.145 41.085 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 5.237 -37.455 49.157 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 4.609 -37.791 49.809 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 5.436 -38.237 48.587 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 3.707 -40.693 46.249 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 3.191 -41.524 46.227 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 3.059 -40.005 45.999 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 16.953 -39.598 48.925 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 16.302 -38.963 48.548 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 16.400 -40.296 49.313 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 19.606 -46.232 44.486 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 19.646 -45.445 45.053 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 18.890 -46.767 44.870 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 16.977 -46.795 45.419 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 16.162 -46.757 45.960 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 17.028 -45.906 45.002 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 17.506 -46.379 41.984 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 17.056 -45.746 41.388 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 17.892 -45.820 42.679 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 16.111 -48.314 43.237 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 16.620 -47.682 42.675 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 16.468 -48.165 44.133 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 9.883 -38.070 48.960 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 10.073 -38.998 49.204 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 10.525 -37.541 49.492 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 2.644 -43.232 45.841 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 2.395 -44.023 46.331 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 3.594 -43.369 45.629 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 17.439 -16.653 0.940 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 16.802 -16.941 0.282 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 17.362 -17.321 1.659 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 1.289 -24.848 4.917 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 0.829 -25.243 5.697 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 0.823 -25.213 4.161 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 13.756 -26.724 10.509 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 14.323 -27.030 9.776 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 12.868 -27.109 10.302 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 3.850 -28.201 7.898 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 3.383 -28.760 7.269 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 4.730 -28.063 7.493 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 17.257 -31.105 11.400 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 17.052 -32.024 11.116 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 18.134 -31.174 11.806 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 9.579 -29.760 10.243 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 9.995 -30.461 10.792 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 8.689 -30.109 10.055 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 13.795 -24.046 10.167 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 12.885 -23.710 10.358 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 13.734 -25.015 10.346 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 10.545 -36.906 13.720 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.636 -36.512 13.771 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 10.378 -37.866 13.561 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 12.734 -26.913 6.315 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 13.043 -25.994 6.423 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 13.381 -27.438 6.804 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 17.246 -25.915 9.827 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 16.849 -25.585 10.662 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 18.151 -26.183 10.089 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 15.405 -27.157 8.281 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 16.107 -26.682 8.781 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.706 -28.092 8.292 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 18.753 -22.035 6.571 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 19.420 -21.420 6.206 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 19.208 -22.905 6.589 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 11.278 -17.371 8.158 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 11.724 -18.174 8.506 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 10.563 -17.191 8.808 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 9.303 -16.765 9.904 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 9.298 -16.050 10.576 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 8.592 -17.355 10.180 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 16.347 -23.380 9.217 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 15.437 -23.466 9.576 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 16.645 -24.305 9.108 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.968 -30.815 10.012 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 6.338 -31.128 9.329 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 7.166 -31.619 10.539 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 11.414 -27.766 9.646 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 10.973 -27.430 8.842 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 10.837 -28.501 9.942 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 16.476 -28.850 12.810 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 16.739 -29.632 12.283 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 15.589 -29.059 13.116 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 4.411 -33.596 12.711 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 4.986 -34.401 12.725 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 4.819 -33.003 13.386 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 7.567 -33.213 11.407 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 7.880 -34.006 10.923 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 7.188 -33.573 12.222 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 0.693 -28.119 8.579 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 -0.237 -27.888 8.814 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 0.639 -29.055 8.272 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 7.641 -31.425 6.655 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 7.897 -32.330 6.865 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 6.765 -31.322 7.075 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 8.549 -28.991 5.874 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 8.934 -29.215 5.020 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 8.282 -29.864 6.253 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 5.262 -31.783 8.054 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 5.596 -32.700 7.919 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 4.291 -31.890 8.101 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 10.148 -27.091 7.218 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 9.596 -27.753 6.756 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 10.995 -27.091 6.718 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 9.939 -24.609 8.448 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 10.069 -25.424 7.924 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 9.068 -24.736 8.871 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 14.094 -24.701 7.420 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 13.789 -24.439 8.306 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 14.665 -25.473 7.584 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 6.881 -23.617 13.933 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 6.217 -23.580 14.639 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 7.655 -23.139 14.308 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 1.602 -22.710 8.734 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 0.787 -23.062 8.365 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 2.237 -22.744 7.983 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.258 -28.065 9.435 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 6.969 -28.972 9.671 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 8.215 -28.072 9.609 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 8.639 -23.691 11.750 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 8.261 -24.223 11.020 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 7.965 -23.749 12.460 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 11.164 -23.472 10.613 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 10.866 -23.753 9.718 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 10.358 -23.553 11.163 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 17.310 -18.270 3.113 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 17.277 -19.229 3.338 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 18.086 -17.938 3.610 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 19.793 -24.526 7.235 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 19.932 -25.473 7.312 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 19.664 -24.226 8.156 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 7.514 -25.163 9.677 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 7.228 -26.094 9.704 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 6.773 -24.696 9.237 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 1.104 -25.505 11.566 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 0.347 -24.886 11.467 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 1.840 -24.931 11.876 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.940 -20.082 2.917 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 11.858 -19.342 2.272 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 11.969 -20.873 2.367 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 10.085 -32.101 11.606 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 9.169 -32.436 11.632 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 10.633 -32.912 11.602 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 10.991 -34.749 11.661 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 10.171 -35.045 11.221 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 11.153 -35.429 12.334 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 10.191 -18.191 4.139 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 10.833 -17.786 4.764 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 10.608 -19.038 3.888 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 2.915 -23.223 6.408 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 2.277 -23.607 5.770 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 3.660 -23.845 6.396 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 4.155 -25.263 10.293 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 3.937 -24.668 11.039 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 4.595 -24.678 9.642 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 14.153 -21.298 7.007 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 14.069 -22.267 7.025 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.066 -21.131 7.321 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 4.815 -25.324 6.157 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 4.272 -25.682 5.444 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 5.416 -26.066 6.396 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 6.330 -27.572 6.882 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 6.657 -27.627 7.808 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 7.055 -27.967 6.353 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 7.263 -15.037 5.807 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 8.118 -15.061 6.289 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 7.299 -15.824 5.217 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 5.474 -23.851 8.350 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 5.384 -22.920 8.107 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 5.288 -24.337 7.516 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 2.881 -18.544 8.516 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 2.161 -18.959 9.027 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 2.467 -18.299 7.671 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 3.125 -23.856 12.441 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 3.709 -23.519 13.135 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 2.591 -23.072 12.172 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 20.159 -30.460 13.188 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 20.891 -29.822 13.053 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 19.797 -30.216 14.059 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 18.159 -27.160 14.140 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 18.737 -27.818 14.555 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 17.507 -27.697 13.637 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 20.637 -28.361 10.659 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 20.264 -27.456 10.741 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 21.170 -28.470 11.472 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 16.778 -29.510 9.015 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 17.722 -29.637 8.802 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 16.663 -29.982 9.859 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 19.525 -29.939 8.778 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 20.068 -29.747 8.009 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 19.863 -29.319 9.473 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 17.002 -35.167 7.578 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 17.454 -35.466 8.397 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 17.327 -34.273 7.443 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 2.165 -35.350 7.962 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 1.996 -36.032 8.649 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 2.396 -35.858 7.181 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 5.059 -20.471 15.798 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 5.146 -21.448 15.774 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 5.862 -20.169 16.268 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 7.098 -19.420 17.368 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 7.809 -19.979 17.708 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 6.918 -18.784 18.103 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 16.767 -33.739 10.595 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 15.886 -33.992 10.301 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 17.306 -34.543 10.453 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 5.272 -35.054 10.275 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 4.692 -34.339 10.575 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 5.718 -35.362 11.100 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 5.118 -38.227 11.989 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 5.521 -37.438 12.402 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 4.390 -38.474 12.600 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 15.658 -37.501 7.187 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 16.107 -36.637 7.330 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 15.389 -37.477 6.266 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 3.017 -15.155 7.420 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 2.723 -15.956 6.940 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 2.772 -15.335 8.352 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 12.899 -19.475 8.930 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 13.049 -20.010 9.735 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 13.168 -20.066 8.197 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 16.731 -20.995 8.040 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 17.455 -21.214 7.408 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 16.565 -21.841 8.512 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 4.411 -17.322 4.448 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 4.806 -16.481 4.181 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 5.142 -17.811 4.849 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 15.778 -24.924 35.435 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 15.375 -25.751 35.774 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 16.047 -25.150 34.527 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 20.941 -20.938 37.003 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 20.181 -21.497 37.248 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 20.586 -20.342 36.312 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 16.918 -19.934 43.046 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 17.765 -20.379 42.813 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 16.349 -20.671 43.372 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 12.436 -25.952 37.729 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 12.585 -26.505 38.534 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 11.806 -25.272 38.026 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 14.217 -23.781 37.391 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 14.857 -24.036 36.691 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 13.616 -24.548 37.452 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 7.342 -21.694 34.998 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 6.376 -21.783 34.854 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 7.439 -20.803 35.419 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 3.642 -24.258 39.295 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 3.317 -23.688 39.995 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 3.151 -25.097 39.420 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 11.097 -24.128 39.430 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 11.414 -24.601 40.223 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 11.398 -23.201 39.568 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.129 -21.253 38.359 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 15.036 -20.920 38.194 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.157 -22.189 38.035 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 3.099 -26.296 36.773 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 2.894 -26.861 35.970 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 3.589 -25.532 36.409 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 14.408 -27.152 36.248 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 14.068 -27.640 35.476 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 13.600 -26.838 36.712 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 18.414 -26.657 38.264 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 18.104 -27.132 39.067 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 17.849 -27.006 37.547 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 16.164 -26.374 32.977 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 15.901 -27.219 33.431 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 15.772 -26.463 32.086 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 16.972 -28.167 36.254 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 16.092 -27.821 36.512 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 16.850 -28.439 35.326 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 18.436 -31.209 34.043 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 17.662 -31.316 34.605 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 19.000 -31.979 34.263 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 8.304 -23.093 40.509 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 7.456 -23.425 40.816 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 8.914 -23.262 41.260 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 13.328 -18.574 37.770 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 13.558 -19.452 38.132 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 12.372 -18.465 37.992 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 16.577 -20.099 37.617 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.381 -19.820 36.684 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 16.760 -19.270 38.074 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.111 -19.411 33.486 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 4.911 -20.237 33.965 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 6.040 -19.524 33.190 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 20.222 -19.300 34.924 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 19.260 -19.144 34.748 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 20.642 -18.443 34.724 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 14.556 -30.162 51.367 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 15.414 -30.389 50.957 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 13.897 -30.348 50.662 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 18.019 -25.021 47.375 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 18.388 -24.554 48.133 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 17.080 -25.193 47.630 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 4.077 -28.545 44.561 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 3.863 -28.917 43.680 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 3.246 -28.174 44.868 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 14.105 -26.026 50.181 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 14.238 -26.683 50.901 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 13.320 -25.543 50.449 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 17.933 -35.865 49.042 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 18.207 -36.205 48.167 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 18.275 -36.524 49.669 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 13.366 -34.256 50.744 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 13.572 -33.431 51.190 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 14.099 -34.375 50.106 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 5.766 -32.166 46.812 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 6.731 -32.133 46.697 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.637 -32.752 47.596 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 9.773 -29.900 48.215 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 10.598 -30.051 47.682 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.764 -28.949 48.368 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 15.560 -34.292 49.058 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 16.155 -35.068 49.079 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 16.160 -33.533 49.153 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 7.740 -36.300 49.370 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.416 -36.992 49.199 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 6.892 -36.788 49.364 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.206 -23.727 45.973 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 14.026 -22.871 45.554 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 15.085 -23.981 45.626 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 16.838 -24.116 45.005 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 17.411 -24.392 45.750 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 17.416 -24.185 44.219 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 8.853 -28.292 45.410 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 9.110 -29.221 45.498 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 7.921 -28.276 45.676 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 8.268 -30.965 46.225 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 8.776 -30.727 47.034 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 7.487 -30.366 46.247 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 10.960 -21.693 45.042 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 10.463 -21.168 44.387 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.757 -21.151 45.229 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 6.036 -29.434 46.227 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 5.608 -30.268 46.510 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 5.358 -28.998 45.663 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 9.180 -32.859 44.470 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 9.389 -33.506 45.173 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 8.869 -32.070 44.962 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 2.682 -34.418 48.942 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 1.942 -33.992 49.383 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 2.340 -34.632 48.047 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 2.345 -36.840 44.077 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 1.767 -37.098 43.335 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 2.320 -37.617 44.678 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 16.952 -30.661 50.083 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 17.654 -30.015 50.210 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 17.429 -31.509 49.928 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.419 -36.376 44.379 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 11.515 -37.041 43.656 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 11.258 -36.915 45.176 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.376 -33.978 45.268 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 4.657 -34.669 45.899 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 4.784 -33.158 45.618 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 7.191 -34.431 43.340 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 7.900 -33.802 43.584 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 7.284 -35.157 43.988 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 15.447 -31.433 47.883 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 14.877 -30.748 47.454 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 15.814 -30.981 48.668 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 12.752 -30.654 49.394 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 11.820 -30.647 49.632 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 12.760 -30.354 48.452 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.486 -36.580 44.850 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 6.639 -37.545 44.814 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.864 -36.465 45.603 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 14.106 -27.684 52.346 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 14.298 -28.579 51.981 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 13.969 -27.839 53.282 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 17.343 -32.315 40.190 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 16.994 -33.137 40.587 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 17.821 -31.879 40.923 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 18.607 -24.261 39.690 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 18.616 -25.098 39.177 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 18.610 -23.565 39.007 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 15.378 -25.414 47.859 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 14.934 -25.692 48.698 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 14.744 -24.791 47.448 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 11.442 -24.353 45.139 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 11.214 -23.402 45.260 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 12.352 -24.421 45.479 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 3.301 -29.539 42.108 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 2.719 -29.305 41.351 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 2.936 -30.380 42.430 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 10.622 -26.730 43.979 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.020 -27.293 44.513 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 10.851 -25.989 44.578 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 14.026 -23.644 42.150 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 14.283 -23.646 41.221 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 13.316 -24.307 42.203 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 11.639 -25.326 41.926 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 11.069 -24.551 42.120 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 11.351 -26.000 42.592 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 5.529 -27.778 41.181 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 4.735 -28.330 41.279 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 5.911 -27.759 42.065 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 11.383 -36.051 50.125 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 10.734 -35.355 49.914 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 12.178 -35.551 50.414 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 9.858 -23.441 42.754 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 10.102 -23.785 43.633 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 9.988 -22.471 42.833 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 13.203 -20.147 45.285 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 13.553 -19.667 44.508 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 13.796 -19.904 45.999 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 15.530 -27.344 45.903 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 14.916 -28.082 46.151 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 15.368 -26.662 46.588 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 6.836 -27.240 38.793 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 6.282 -27.728 38.145 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 6.391 -27.402 39.656 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.415 -33.897 42.175 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 1.664 -34.421 41.834 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.052 -32.991 42.263 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 5.396 -34.004 48.769 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 4.442 -34.174 48.944 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 5.840 -34.809 49.062 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.041 -21.574 40.116 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 12.202 -20.894 40.799 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 12.786 -21.462 39.488 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 15.466 -22.055 43.831 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 14.885 -22.553 43.210 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 16.010 -22.750 44.255 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 12.678 -27.152 40.129 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 12.649 -28.089 40.413 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 12.371 -26.655 40.909 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 17.894 -33.545 37.790 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 17.145 -34.136 37.623 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 17.613 -33.013 38.570 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 10.065 -20.669 42.609 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 9.576 -20.555 41.771 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 10.880 -20.141 42.480 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 2.137 -26.606 39.322 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 2.077 -27.537 39.615 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 2.508 -26.664 38.413 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 17.748 -27.840 40.710 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 18.108 -28.693 40.974 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 17.417 -27.451 41.544 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 17.038 -26.838 43.256 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 16.200 -26.667 43.717 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 17.682 -26.976 43.978 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 18.938 -29.644 44.587 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 18.033 -29.956 44.799 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 18.983 -28.756 45.002 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 18.258 -27.254 45.731 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 18.479 -26.518 46.336 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 17.295 -27.399 45.876 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 16.186 -30.019 44.711 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 15.485 -29.966 45.405 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 16.025 -29.243 44.157 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 18.097 -33.034 49.312 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 18.261 -33.980 49.481 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 18.039 -32.975 48.333 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 2.093 -35.105 46.335 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 2.669 -34.468 45.863 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 1.706 -35.643 45.622 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 9.416 -34.170 49.501 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 8.744 -34.891 49.549 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 9.009 -33.435 49.972 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 19.141 -37.437 46.971 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 18.614 -38.161 46.567 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 20.035 -37.573 46.623 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 11.028 -38.148 46.399 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 10.465 -38.790 45.915 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 10.624 -38.099 47.292 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 7.291 -41.262 48.906 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 8.232 -41.004 48.931 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 6.847 -40.506 48.480 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 9.722 -34.336 46.750 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 9.638 -34.194 47.719 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 9.744 -35.297 46.654 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 12.299 -19.248 41.761 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 12.132 -18.503 41.170 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 13.048 -18.946 42.323 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 9.439 -20.625 39.868 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 8.862 -21.414 39.896 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 10.332 -20.990 39.707 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 12.286 -10.965 -3.112 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 11.520 -10.465 -3.466 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 12.345 -11.742 -3.687 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 -0.573 -6.564 -4.572 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 0.274 -6.913 -4.913 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 -1.244 -6.927 -5.185 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.368 -8.488 -6.567 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 4.371 -9.204 -7.224 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.009 -7.839 -6.919 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 12.963 -11.926 -0.518 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 12.911 -11.655 -1.457 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 13.485 -11.222 -0.095 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 4.510 -11.594 -5.970 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 4.487 -11.362 -6.920 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.449 -11.850 -5.810 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 3.121 -13.111 -4.167 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 2.192 -12.917 -4.348 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 3.610 -12.606 -4.857 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 7.563 -14.755 -8.188 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 7.744 -15.238 -8.998 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 6.949 -14.036 -8.470 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 8.356 -14.612 -5.582 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 8.007 -15.405 -5.151 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 8.110 -14.723 -6.533 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.534 -12.829 -2.823 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.525 -13.514 -2.125 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 4.675 -12.939 -3.275 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 2.904 -5.263 -7.359 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 1.984 -4.907 -7.368 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 3.329 -4.795 -6.628 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 13.826 -9.439 0.878 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 13.378 -9.104 0.062 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 14.713 -9.014 0.855 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 4.149 -10.648 -8.517 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 3.203 -10.786 -8.660 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 4.430 -10.091 -9.288 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 9.946 -9.841 -4.070 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 9.760 -10.115 -4.991 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 9.599 -10.580 -3.525 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 6.780 -6.992 4.129 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 6.585 -6.682 3.220 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 6.216 -7.779 4.243 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 1.908 -7.491 -5.932 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 1.929 -6.688 -6.479 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 2.832 -7.822 -5.966 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 11.401 -0.971 -0.048 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 11.837 -1.603 -0.656 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 12.006 -0.930 0.720 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 6.284 0.287 -10.968 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 6.725 0.187 -11.819 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.923 -0.047 -10.328 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 15.626 -12.345 4.966 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 15.756 -12.015 4.047 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 15.881 -13.297 4.917 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 7.232 -16.871 -3.470 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 6.788 -16.603 -2.652 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 6.583 -17.424 -3.921 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 7.375 -16.441 -0.339 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 7.274 -17.106 0.376 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 8.218 -16.692 -0.780 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 10.427 -10.970 -0.186 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 10.483 -10.441 0.633 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 11.305 -11.404 -0.250 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 5.813 -12.899 -9.206 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 5.359 -13.155 -10.038 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 5.361 -12.085 -8.930 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 10.416 -12.952 -4.839 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 9.830 -13.690 -5.115 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 10.112 -12.731 -3.937 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 7.123 -12.117 -5.516 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 7.880 -11.677 -5.952 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 7.426 -13.039 -5.389 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 4.500 -13.644 -11.492 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 4.760 -13.483 -12.405 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 3.862 -14.362 -11.549 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 8.917 -14.273 -1.170 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 9.524 -14.980 -1.466 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 8.112 -14.750 -0.907 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 9.477 -11.056 -6.513 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 9.709 -11.136 -7.446 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 9.970 -11.790 -6.077 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 8.212 -8.744 1.703 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 8.989 -9.292 1.929 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 8.564 -7.831 1.704 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 10.706 -3.453 3.495 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 11.054 -3.609 4.400 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 10.649 -2.478 3.430 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 12.616 -8.761 -1.444 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 11.903 -8.176 -1.723 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 12.578 -9.506 -2.078 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 6.317 -6.654 -7.365 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.166 -6.384 -7.732 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.251 -6.155 -6.519 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 2.021 -10.186 -5.202 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 2.922 -10.400 -5.512 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 1.845 -9.295 -5.571 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 10.798 -3.232 -3.501 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 11.101 -2.737 -4.296 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 11.588 -3.268 -2.925 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 11.350 0.830 -6.581 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 10.897 1.203 -7.367 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 11.141 1.465 -5.868 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 11.548 -4.488 1.090 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 11.122 -4.110 1.890 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 12.505 -4.341 1.240 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 5.301 -14.688 -0.789 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 4.975 -14.346 0.066 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.978 -15.353 -0.539 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 11.778 -14.318 0.325 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 12.387 -14.781 0.935 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 12.306 -13.567 -0.016 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.044 -15.614 2.399 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.771 -16.208 2.699 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 12.897 -15.021 3.158 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 4.665 -9.031 -10.588 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 4.504 -8.141 -10.191 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 4.896 -8.842 -11.502 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 13.132 -1.064 2.125 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 12.345 -0.992 2.716 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 13.707 -0.344 2.409 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 16.225 -5.769 2.297 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.544 -5.609 2.987 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 16.113 -5.028 1.684 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 10.538 -10.061 2.374 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 11.177 -9.344 2.583 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 10.940 -10.865 2.781 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 11.630 -12.152 3.687 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 11.854 -13.078 3.899 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 12.242 -11.626 4.253 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 12.483 -8.223 2.964 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 13.050 -8.148 3.761 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 13.070 -8.631 2.289 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 9.549 -16.872 -1.938 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 10.349 -17.351 -2.183 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 8.959 -16.968 -2.716 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 11.367 -17.696 1.649 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 10.800 -17.605 2.433 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 11.979 -16.934 1.706 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 12.211 -17.159 5.654 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 11.927 -17.229 6.598 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 12.865 -17.888 5.546 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 7.122 -18.388 1.611 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 7.403 -19.302 1.481 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 6.134 -18.447 1.686 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 7.728 -17.041 3.963 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 8.581 -17.492 4.164 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 7.441 -17.444 3.118 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 -0.383 1.931 -6.447 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 0.205 2.424 -7.035 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 -1.018 2.608 -6.122 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 4.337 -6.675 -9.303 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 3.659 -6.164 -8.819 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 5.121 -6.630 -8.726 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 13.942 -7.993 5.299 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 14.831 -8.410 5.237 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 13.902 -7.660 6.220 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 15.565 -10.825 2.650 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 16.149 -10.110 2.350 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 14.747 -10.688 2.146 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 16.310 -8.327 1.222 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 17.123 -8.271 0.709 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 16.272 -7.473 1.705 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 19.762 -17.268 4.144 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 19.713 -16.553 3.479 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 19.970 -16.804 4.979 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 -0.752 -17.096 -3.085 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 -0.857 -16.686 -3.948 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 -1.580 -16.886 -2.619 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 2.878 -9.174 -2.813 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 2.496 -9.487 -3.654 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 2.101 -8.945 -2.270 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 19.360 -15.258 2.261 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 18.537 -15.604 1.838 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 20.020 -15.308 1.562 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 2.246 -17.602 0.628 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 2.186 -17.622 -0.360 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 1.372 -17.884 0.920 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 6.413 -5.812 1.667 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 6.982 -5.084 2.005 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 6.213 -5.552 0.759 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 12.483 -3.200 -1.224 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 13.396 -3.330 -0.937 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 11.957 -3.760 -0.611 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 6.202 -5.492 -4.891 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 5.343 -5.053 -4.725 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 6.861 -4.910 -4.439 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 8.086 -4.033 -3.529 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 7.932 -3.413 -2.804 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 9.048 -3.966 -3.698 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 9.428 -11.967 -2.455 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 9.827 -11.504 -1.680 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 9.114 -12.822 -2.081 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.210 -15.074 1.448 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 2.318 -14.802 1.716 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 3.087 -15.983 1.111 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 4.478 -18.478 1.932 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 3.706 -18.270 1.362 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 4.206 -18.176 2.819 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 13.677 -19.346 5.000 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 13.104 -19.768 4.327 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 13.904 -20.077 5.616 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 1.559 -11.141 15.501 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 0.698 -10.960 15.918 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 1.822 -12.007 15.866 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 16.150 -7.458 12.525 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 15.780 -7.941 13.290 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 17.117 -7.430 12.702 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 6.812 -7.265 12.128 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 6.105 -7.546 11.500 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 6.811 -7.967 12.810 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 4.805 -8.135 10.558 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 4.053 -8.611 10.969 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 4.743 -8.368 9.611 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.814 -4.632 8.121 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 13.070 -4.456 9.053 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 13.380 -5.389 7.861 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 9.730 -8.240 9.749 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 10.557 -8.618 9.398 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 9.884 -8.173 10.700 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 2.745 -9.701 11.419 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 2.893 -10.659 11.558 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 1.823 -9.647 11.086 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 17.258 -15.373 13.664 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 16.672 -15.635 12.929 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 17.662 -16.228 13.971 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 3.005 -17.850 11.882 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 3.121 -18.191 12.793 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 2.334 -18.452 11.484 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 10.045 -9.539 13.729 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 9.201 -9.080 13.637 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 9.888 -10.188 14.444 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 3.492 -12.190 12.438 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 3.382 -12.987 12.997 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 3.807 -11.507 13.063 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 1.562 -7.302 5.935 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 1.817 -7.523 6.858 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 0.582 -7.360 5.945 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 18.804 -7.020 13.059 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 19.520 -6.381 13.103 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 19.222 -7.867 13.339 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 14.051 -4.698 10.542 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.791 -4.519 11.160 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 13.874 -5.654 10.654 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 14.128 -7.091 7.977 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 15.085 -7.061 7.757 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 14.107 -7.330 8.930 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 18.270 -13.448 15.509 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 19.166 -13.628 15.878 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 18.093 -14.214 14.924 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 16.071 -11.842 15.038 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 16.840 -12.425 15.191 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.416 -10.945 15.225 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 8.067 -3.850 9.537 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 8.534 -3.176 10.081 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 7.477 -4.301 10.179 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 6.508 -9.457 13.793 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 5.540 -9.551 13.925 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 6.892 -10.062 14.432 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.006 -7.480 10.799 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 13.375 -8.041 11.301 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 14.839 -7.539 11.317 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 10.469 -0.599 6.304 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 9.745 -1.012 6.833 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 10.819 0.091 6.881 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 5.175 -2.124 10.281 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 5.393 -2.988 10.675 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 4.327 -2.276 9.823 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 14.166 -5.142 3.978 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 13.704 -5.947 4.257 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.548 -4.781 4.818 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 16.136 -3.923 8.873 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 15.265 -4.040 9.293 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 16.764 -4.079 9.589 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 13.576 -14.645 18.240 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 14.061 -14.950 17.451 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 13.486 -15.451 18.797 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 9.161 -14.676 11.730 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 8.542 -14.783 12.493 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 9.957 -14.298 12.127 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 13.333 -10.928 5.327 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 13.683 -10.028 5.411 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 14.136 -11.495 5.272 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 9.924 -14.913 6.361 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 10.737 -14.750 5.841 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 10.210 -15.537 7.052 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 7.695 -14.915 14.021 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 7.548 -14.186 14.654 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 7.406 -15.713 14.508 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.627 -12.804 14.801 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 11.488 -13.628 15.278 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 10.906 -12.221 15.112 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 3.272 -14.230 14.350 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 2.894 -13.929 15.204 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 3.758 -15.047 14.582 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 2.413 -15.687 10.047 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 1.805 -15.159 10.586 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 2.563 -16.497 10.581 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 13.673 -11.224 13.849 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 14.507 -11.588 14.225 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 12.972 -11.831 14.187 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 19.413 -11.803 13.534 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 19.363 -12.591 12.963 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.993 -12.086 14.362 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 12.249 -14.570 4.864 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 12.318 -15.551 4.974 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 12.638 -14.216 5.692 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 3.765 -9.994 14.119 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 3.306 -9.483 13.430 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 3.053 -10.250 14.744 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 8.704 -11.969 18.730 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 8.116 -12.603 18.297 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 9.582 -12.405 18.717 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.156 -6.552 19.214 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 22.971 -6.855 20.106 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 22.673 -7.178 18.641 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 14.063 -3.647 1.658 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 13.883 -2.700 1.836 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 14.096 -4.057 2.551 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 12.490 -9.109 12.538 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 12.948 -9.873 12.944 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 11.581 -9.151 12.912 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 6.957 -0.248 9.552 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 6.298 -0.928 9.848 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 6.444 0.565 9.488 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 14.600 -8.637 14.569 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 13.818 -8.123 14.323 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 14.339 -9.563 14.397 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 15.316 -4.603 6.332 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 15.543 -4.096 7.141 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 15.763 -5.461 6.461 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 4.107 -16.609 15.598 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 3.600 -16.521 16.437 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 3.732 -17.413 15.176 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 16.573 -7.063 6.766 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 17.463 -6.672 6.626 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 16.647 -7.962 6.395 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 7.522 -7.503 8.303 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 6.895 -6.923 8.748 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 8.241 -7.630 8.959 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 8.076 -15.450 17.646 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 7.620 -16.039 17.002 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 8.953 -15.838 17.741 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 6.840 -3.913 7.041 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 7.325 -3.092 6.870 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 7.107 -4.162 7.946 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 16.638 -15.942 18.091 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 17.532 -16.176 17.759 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 16.156 -15.644 17.289 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 3.201 -18.979 14.469 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 3.952 -19.497 14.853 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 2.435 -19.549 14.601 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 4.341 -3.031 6.453 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 4.515 -2.517 5.637 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 5.191 -3.493 6.630 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 11.535 -3.257 6.119 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 11.397 -2.303 6.259 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 12.194 -3.509 6.804 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 10.294 -6.864 1.842 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 10.628 -6.041 1.436 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 11.090 -7.284 2.217 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 5.628 -12.562 18.279 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 5.017 -13.204 18.663 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 5.293 -11.707 18.583 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 7.389 -13.198 16.253 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 7.647 -13.995 16.767 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 6.626 -12.830 16.756 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 11.225 -13.166 18.771 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 11.282 -13.476 19.684 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 12.039 -13.514 18.351 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 18.731 -9.546 4.512 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 19.401 -9.889 3.910 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 18.626 -8.600 4.243 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 6.617 -17.551 19.287 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 5.734 -17.383 19.675 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 7.002 -16.669 19.185 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 6.812 -16.987 15.773 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 5.846 -16.821 15.665 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 6.860 -17.912 16.080 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 9.414 -11.376 15.769 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 9.475 -11.069 16.689 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 8.684 -12.033 15.787 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 16.458 -16.197 22.353 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 17.406 -16.336 22.429 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 16.189 -16.781 21.609 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 16.984 -9.278 15.851 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 16.180 -8.832 15.517 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 16.729 -9.593 16.753 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 7.743 -1.538 4.299 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 8.252 -1.382 5.104 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 7.815 -0.689 3.801 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 0.730 -0.941 7.693 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 1.488 -1.483 7.997 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 0.836 -0.092 8.179 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 18.179 -7.006 3.847 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 17.575 -6.445 3.322 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 18.463 -6.427 4.587 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 19.679 -8.662 9.471 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 18.999 -8.567 10.146 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 20.345 -9.256 9.882 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 16.191 -9.588 5.468 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 17.081 -9.531 5.053 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 15.981 -10.542 5.437 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 0.150 -11.226 12.633 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 -0.441 -11.756 13.214 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 0.849 -10.921 13.231 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 16.505 -10.471 18.192 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 16.659 -11.432 18.267 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 16.030 -10.239 19.018 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 18.656 -12.096 20.462 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 18.260 -12.455 21.286 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 18.084 -12.450 19.746 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 14.861 -17.199 3.699 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 14.471 -17.940 4.212 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 15.744 -17.538 3.429 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.403 -14.739 15.943 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 15.219 -13.796 15.796 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.902 -15.009 15.151 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 2.632 -12.026 19.982 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 2.600 -12.648 20.738 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 1.803 -12.206 19.492 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 -0.068 -17.107 14.671 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 0.424 -17.765 15.171 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 -0.980 -17.464 14.639 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 -0.012 -13.591 11.087 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 0.161 -12.705 11.457 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 0.137 -14.197 11.845 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 15.755 -17.635 20.124 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 16.061 -17.001 19.438 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 15.437 -18.402 19.612 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 16.200 -15.074 4.926 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 16.832 -15.690 5.355 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 15.613 -15.663 4.414 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 1.591 -15.189 4.380 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 1.042 -15.436 3.605 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 1.542 -15.968 4.969 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.461 -4.790 11.885 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 16.314 -5.739 12.086 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 17.203 -4.543 12.445 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 2.644 -16.274 17.928 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 1.705 -16.476 18.141 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 3.129 -16.500 18.749 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 6.422 -4.578 11.629 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 6.580 -4.208 12.503 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 6.529 -5.550 11.759 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 8.919 -1.672 10.908 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 9.304 -1.223 11.666 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 8.268 -1.032 10.553 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 4.950 -17.572 9.951 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 4.381 -17.985 9.263 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 4.486 -17.768 10.787 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 5.092 -13.562 6.655 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 5.794 -14.146 6.297 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 4.348 -14.177 6.858 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 10.873 -0.701 3.560 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 10.396 -0.005 3.068 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 10.668 -0.516 4.502 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 4.205 -16.602 20.338 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 4.623 -15.758 20.618 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 3.785 -16.936 21.147 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 13.987 -13.035 25.915 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 13.374 -12.709 26.580 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 13.411 -13.451 25.241 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 13.291 -14.663 34.441 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 13.783 -15.483 34.640 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 13.255 -14.631 33.459 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 13.281 -14.192 31.726 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 14.014 -13.725 31.262 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 12.480 -13.852 31.310 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 -0.398 -13.402 26.971 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 -0.417 -14.364 26.817 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 -1.319 -13.176 27.186 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 2.127 -15.048 29.132 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 2.060 -14.386 28.418 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 3.087 -15.114 29.303 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 14.780 -16.692 35.847 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 15.180 -17.567 35.627 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 14.266 -16.866 36.654 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 4.177 -15.518 31.819 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 4.003 -16.487 31.760 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 4.503 -15.282 30.928 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 7.584 -14.840 29.189 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 7.972 -14.845 30.095 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 8.120 -15.491 28.699 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 21.342 -16.924 33.873 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 21.262 -17.127 32.920 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 20.488 -16.483 34.090 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 5.703 -17.273 35.104 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 4.922 -16.719 35.311 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 5.361 -17.943 34.474 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 0.289 -19.907 26.628 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 -0.132 -20.786 26.563 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 -0.001 -19.442 25.819 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 9.674 -13.386 23.859 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 8.819 -13.520 24.276 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 9.577 -12.532 23.381 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 14.780 -14.070 22.440 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 14.001 -14.251 23.004 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 15.321 -14.893 22.505 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 18.741 -13.996 36.245 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 17.942 -14.331 35.802 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 18.393 -13.409 36.953 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 16.591 -12.387 25.356 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 15.680 -12.676 25.589 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 16.646 -11.473 25.705 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 2.637 -16.203 26.112 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 2.502 -15.247 26.326 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 3.531 -16.396 26.452 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 12.359 -13.837 23.857 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 12.546 -12.946 23.487 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 11.375 -13.877 23.893 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 4.004 -13.128 24.398 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 4.345 -12.388 23.840 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 4.764 -13.728 24.487 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 17.989 -12.251 38.174 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 18.045 -11.302 38.009 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 17.337 -12.331 38.913 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 13.152 -19.580 35.226 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 14.125 -19.588 35.111 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 13.023 -19.176 36.105 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 16.425 -12.536 40.380 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 15.844 -12.065 40.980 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 16.571 -13.405 40.821 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 11.485 -11.142 20.990 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 11.825 -11.427 20.132 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 12.233 -11.293 21.610 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 7.720 -15.539 34.294 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 7.132 -16.272 34.571 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 7.102 -14.792 34.143 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 4.911 -15.255 29.174 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 4.926 -15.593 28.264 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 5.837 -14.951 29.328 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 10.313 -17.417 31.648 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 10.447 -18.053 32.381 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 10.817 -17.798 30.904 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 8.688 -15.256 31.649 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 8.333 -15.233 32.557 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 9.315 -16.013 31.658 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 17.499 -13.659 32.493 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 17.542 -14.259 31.720 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 17.132 -14.215 33.205 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 14.885 -12.674 35.414 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 14.199 -13.221 34.976 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 14.462 -12.398 36.259 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 5.379 -14.351 21.412 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 5.580 -14.577 22.347 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 5.980 -13.601 21.215 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 5.315 -14.280 33.910 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 4.668 -14.578 34.570 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 4.983 -14.657 33.064 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 13.452 -11.563 22.841 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 13.837 -10.796 23.332 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 14.210 -12.158 22.704 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 5.013 -11.404 22.576 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 5.843 -11.542 22.080 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 4.566 -10.670 22.097 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 10.848 -19.156 33.787 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 11.725 -19.247 34.224 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 10.379 -19.974 34.032 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 11.353 -13.902 36.258 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 10.533 -14.369 36.060 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 11.983 -14.224 35.578 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 18.728 -16.244 33.834 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 18.331 -17.143 33.938 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 18.091 -15.653 34.271 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 9.341 -10.994 22.584 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 10.080 -10.973 21.925 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 9.291 -10.088 22.908 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 7.287 -12.155 21.156 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 7.631 -12.007 20.249 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 7.984 -11.779 21.736 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 15.103 -10.146 20.510 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 14.383 -9.685 20.958 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 14.759 -11.063 20.384 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 9.554 -17.341 35.534 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 10.062 -17.770 34.818 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 9.052 -16.631 35.081 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 9.990 -21.828 34.545 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 9.011 -21.714 34.542 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 10.199 -22.138 33.637 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 13.194 -12.375 37.545 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 12.975 -12.354 38.478 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 12.422 -12.820 37.125 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 11.283 -22.048 37.089 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 12.212 -21.790 37.103 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 10.983 -21.819 36.187 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 15.016 -9.665 23.925 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 15.817 -9.592 23.371 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 15.353 -9.591 24.839 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 17.356 -12.927 22.809 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 16.587 -13.416 22.463 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 17.091 -12.695 23.733 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 17.877 -11.890 29.489 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 18.507 -12.543 29.122 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.442 -11.140 29.756 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 19.634 -12.161 24.391 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 19.254 -12.322 25.267 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 18.970 -12.516 23.775 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 14.255 -12.694 20.090 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 14.422 -13.267 20.864 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 14.143 -13.322 19.347 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.195 -13.614 39.215 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 19.826 -14.137 39.951 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.423 -13.146 38.843 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 16.502 -14.819 34.848 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 15.974 -15.545 35.252 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 15.982 -14.008 35.050 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 18.965 -21.704 42.575 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 18.542 -22.588 42.580 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.857 -21.872 42.261 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 -1.457 -16.186 28.890 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 -1.021 -16.161 28.008 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 -2.337 -15.771 28.733 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 1.883 -15.479 33.274 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 2.699 -15.388 32.736 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 1.184 -15.639 32.613 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 16.941 -14.817 41.808 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 17.900 -14.906 41.626 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 16.724 -15.617 42.322 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 3.686 -18.131 31.549 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 4.101 -18.587 32.313 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 4.009 -18.623 30.772 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 7.542 -19.185 35.931 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 6.789 -18.570 35.825 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 8.328 -18.610 35.852 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 10.645 -18.418 38.146 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 10.174 -18.018 37.390 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 9.986 -19.008 38.553 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 14.462 -18.549 43.338 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 15.199 -19.152 43.113 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 14.900 -17.696 43.506 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 16.967 -17.166 43.353 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 17.042 -18.116 43.113 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 17.649 -17.037 44.019 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 1.839 6.411 -4.439 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 2.202 6.070 -5.278 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 2.266 5.863 -3.752 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 -1.033 7.865 -6.718 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 -0.113 8.177 -6.905 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 -1.595 8.537 -7.116 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 7.388 3.295 -7.636 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 7.236 4.241 -7.395 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 6.502 2.931 -7.722 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 1.574 8.390 -7.193 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 1.929 7.482 -7.151 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 2.338 8.950 -7.020 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 6.774 5.842 -6.971 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 7.448 6.300 -6.418 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 6.079 6.515 -7.107 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 11.484 -1.766 -5.815 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 11.705 -2.224 -6.632 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 11.638 -0.814 -6.026 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 4.722 3.085 -2.041 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 5.639 2.740 -1.927 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 4.376 2.589 -2.803 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 2.940 5.858 1.117 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 3.549 6.267 1.743 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 2.604 6.611 0.582 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 7.513 -0.635 -2.903 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 8.142 -1.127 -2.339 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 7.990 -0.537 -3.763 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 4.580 7.426 -7.606 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 4.404 7.665 -8.521 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 3.904 6.750 -7.398 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 -4.861 4.374 -7.636 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 -5.439 4.621 -8.366 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 -3.970 4.482 -7.989 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 9.914 2.411 -4.853 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 9.756 2.725 -3.936 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 9.380 3.001 -5.400 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 2.454 5.686 -7.111 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 1.509 5.410 -7.181 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 2.936 5.035 -7.676 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 8.687 7.061 -5.467 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 8.973 6.643 -4.623 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 9.405 7.657 -5.687 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 3.945 4.171 -8.861 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 3.935 3.276 -9.273 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 4.681 4.617 -9.288 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 9.643 5.933 -3.187 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 9.989 6.222 -2.341 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 9.407 4.992 -3.042 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 0.541 4.126 -1.636 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 1.406 4.522 -1.892 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 0.500 4.255 -0.663 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 7.043 1.707 -1.634 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 6.981 1.318 -0.731 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 7.203 0.926 -2.212 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 9.150 3.340 -2.393 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 9.647 3.331 -1.550 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 8.340 2.823 -2.195 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 4.417 3.487 0.700 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 3.871 4.293 0.762 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 4.543 3.357 -0.261 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 3.005 5.154 -2.249 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 3.635 4.399 -2.206 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 3.539 5.922 -1.962 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 6.769 7.093 -0.044 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 7.117 7.968 -0.231 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 5.956 7.038 -0.586 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 4.388 7.432 -1.488 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 3.580 7.781 -1.053 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 4.430 7.907 -2.328 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 8.362 5.157 1.089 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 7.812 5.842 0.649 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 7.885 4.958 1.902 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 9.321 -2.100 -1.522 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 9.875 -2.498 -2.232 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 9.967 -1.644 -0.943 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 10.303 3.542 0.120 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 9.554 4.095 0.458 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 11.090 4.047 0.351 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 8.034 -3.683 2.499 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 7.770 -3.007 3.157 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 8.952 -3.905 2.746 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 6.829 0.035 0.492 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 7.096 0.163 1.420 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 6.970 -0.916 0.331 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 -0.698 7.224 -4.042 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 -0.983 7.532 -4.926 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 0.243 6.953 -4.175 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 -0.265 5.241 -7.177 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 -0.954 4.721 -6.718 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 -0.569 6.167 -7.088 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 9.055 -0.252 -5.038 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 9.764 -0.781 -5.435 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 9.393 0.666 -5.075 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 4.147 1.736 -10.090 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 3.412 1.171 -10.344 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 4.943 1.252 -10.407 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 9.796 2.265 -8.384 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 10.051 2.943 -9.013 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 8.907 2.551 -8.070 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 7.937 0.816 2.971 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 8.677 1.064 2.373 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 7.353 1.611 2.974 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 1.314 1.381 8.999 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 0.966 2.273 8.900 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 1.937 1.448 9.730 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 10.096 1.078 1.364 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 10.405 0.411 0.717 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 10.185 1.932 0.888 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 5.012 -1.805 4.084 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 4.974 -2.081 3.138 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 5.969 -1.686 4.257 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 6.072 2.815 2.786 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 5.638 3.063 1.939 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 5.339 2.613 3.373 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 0.872 0.057 5.089 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 0.029 0.437 4.778 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 0.692 -0.213 6.010 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 2.822 -2.609 8.621 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 3.395 -2.709 7.822 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 2.482 -3.496 8.779 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 8.455 -1.714 7.725 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 7.897 -1.095 8.247 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 8.549 -2.495 8.308 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 7.205 -2.735 0.065 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 7.983 -2.590 -0.519 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 7.590 -3.129 0.881 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 20.973 -38.639 14.740 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 20.910 -38.453 13.776 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 20.038 -38.753 15.021 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.608 -39.792 17.878 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.687 -39.476 17.752 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.577 -40.718 17.590 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.261 -43.788 19.121 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.025 -43.319 19.508 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.101 -44.520 19.736 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 22.218 -42.269 16.819 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.173 -42.498 16.808 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 22.178 -41.459 17.353 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 24.555 -39.859 24.023 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.492 -38.946 24.343 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.781 -39.766 23.082 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 19.924 -43.756 17.427 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 20.190 -44.332 18.176 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.761 -43.333 17.142 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 16.793 -41.068 15.340 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 16.790 -41.324 14.406 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 17.086 -41.878 15.805 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 22.888 -39.445 17.901 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 21.994 -39.503 17.519 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 22.775 -38.845 18.666 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 18.331 -46.610 18.236 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 18.814 -47.400 17.979 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 18.991 -46.077 18.724 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 29.322 -41.179 18.794 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 28.891 -40.320 18.584 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 29.960 -41.297 18.087 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 24.007 -42.271 25.247 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 24.552 -42.776 24.597 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 24.128 -41.332 24.974 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 24.927 -42.758 17.010 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 25.321 -43.061 17.864 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 25.212 -43.421 16.374 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.156 -48.963 22.645 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.432 -48.307 23.328 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 23.918 -49.548 22.559 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 18.110 -36.098 9.888 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 18.002 -37.071 9.951 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 19.039 -35.943 10.174 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 18.976 -40.776 11.701 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 18.606 -41.537 12.198 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 19.764 -40.527 12.204 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 20.524 -41.452 14.795 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 20.763 -40.508 14.838 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.114 -41.875 15.453 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 22.412 -36.723 16.224 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 22.921 -36.247 15.529 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.132 -37.555 15.786 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 28.376 -42.883 20.715 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 27.984 -42.242 21.352 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 28.848 -42.312 20.064 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.120 -33.538 20.453 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.248 -34.148 19.697 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 22.515 -32.862 20.107 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 18.311 -38.832 15.139 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 17.627 -38.181 15.391 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 17.859 -39.701 15.231 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 18.165 -38.893 9.962 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 18.433 -39.227 9.096 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 18.329 -39.653 10.575 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 19.712 -48.199 31.584 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 18.952 -47.679 31.871 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 20.276 -48.260 32.390 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 19.093 -47.962 21.683 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.079 -46.982 21.794 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 18.174 -48.187 21.463 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 14.987 -50.312 32.453 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 15.168 -51.256 32.461 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 15.033 -50.065 31.503 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.685 -42.661 30.458 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 24.021 -42.952 29.582 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.079 -41.926 30.247 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.070 -45.307 28.446 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.377 -44.648 28.255 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.700 -45.832 29.191 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 23.144 -46.127 32.924 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 22.766 -45.225 32.814 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 22.363 -46.694 33.082 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 22.276 -43.562 32.763 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 21.495 -42.986 32.957 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.662 -43.181 31.948 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 22.726 -48.677 30.507 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 21.907 -48.540 31.001 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 22.458 -49.226 29.744 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 25.161 -39.112 30.513 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 25.672 -38.506 31.074 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 24.337 -39.260 31.016 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.588 -46.581 30.504 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.237 -46.219 31.337 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.039 -47.378 30.344 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 24.080 -43.750 34.805 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 24.437 -44.622 34.602 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 23.392 -43.610 34.119 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 17.515 -47.998 37.138 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 17.869 -47.818 38.045 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 18.292 -47.866 36.552 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 27.457 -42.643 28.202 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 27.208 -42.325 29.103 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 27.403 -43.613 28.269 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 19.764 -44.364 36.634 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 19.599 -43.992 35.726 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 20.595 -43.927 36.921 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 21.762 -50.168 28.342 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 22.057 -51.071 28.190 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 21.957 -49.703 27.489 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 28.181 -35.596 24.554 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 27.515 -35.026 24.143 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 27.696 -36.417 24.764 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 21.244 -48.000 33.789 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 22.070 -48.377 34.162 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 20.720 -47.739 34.576 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 26.978 -45.042 21.609 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 27.601 -44.335 21.319 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 27.542 -45.694 22.036 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 23.924 -48.516 34.089 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 23.935 -47.657 33.624 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 24.536 -49.063 33.591 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 25.582 -43.316 23.291 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 25.902 -44.024 22.702 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 26.063 -42.517 22.985 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 19.495 -48.742 28.890 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 19.629 -48.541 29.845 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 20.249 -49.327 28.664 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 28.499 -46.534 24.961 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 29.227 -47.131 25.161 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 28.899 -45.658 24.964 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 19.451 -46.901 35.584 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 19.753 -46.126 36.103 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 18.954 -46.505 34.835 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 19.036 -45.268 21.976 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 19.218 -45.199 22.938 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 18.540 -44.445 21.768 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 24.674 -42.932 27.871 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 24.330 -42.740 26.971 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 25.589 -42.589 27.853 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 24.637 -41.837 36.590 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 24.966 -41.071 36.065 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.546 -42.563 35.927 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.689 -39.505 24.379 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 27.043 -38.807 24.624 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 27.902 -39.942 25.231 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 28.528 -40.514 26.788 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 28.601 -39.978 27.582 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 28.162 -41.368 27.109 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.183 -37.468 25.388 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 25.676 -36.647 25.218 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 25.956 -37.702 26.313 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 22.114 -48.996 25.962 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 21.614 -49.163 25.137 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 22.769 -48.318 25.708 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 25.758 -40.620 38.744 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 26.235 -39.901 38.311 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 25.409 -41.161 37.998 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 27.035 -41.175 22.358 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 27.349 -40.610 23.104 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.434 -40.585 21.851 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 16.021 -44.855 40.239 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 16.578 -44.784 39.428 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 15.217 -45.334 39.933 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 18.474 -47.191 39.507 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 19.005 -46.371 39.547 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 18.174 -47.320 40.425 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.987 -46.854 26.118 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.069 -46.381 26.971 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.863 -46.745 25.698 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.798 -47.160 24.599 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 24.604 -47.142 25.176 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.683 -46.239 24.330 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 31.919 -36.976 23.747 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 31.335 -37.673 24.127 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 32.676 -37.461 23.413 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 17.054 -47.678 29.356 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 16.433 -48.395 29.611 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 17.895 -48.148 29.150 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 19.466 -44.646 39.958 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.887 -44.147 39.365 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 20.337 -44.205 39.870 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 22.325 -40.208 34.464 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 22.887 -40.909 34.821 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 21.517 -40.689 34.141 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 22.782 -39.198 31.983 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 22.633 -39.504 32.910 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 22.316 -39.860 31.436 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 25.312 -39.467 35.427 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 24.589 -38.991 35.873 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.472 -38.947 34.613 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 30.400 -39.071 24.677 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 30.273 -39.606 25.470 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 29.531 -39.105 24.229 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 19.609 -43.379 44.871 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 20.273 -43.448 44.163 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 19.908 -42.607 45.410 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 21.393 -39.340 48.062 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.261 -39.127 48.413 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.777 -39.115 48.791 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 21.919 -43.376 40.301 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 21.768 -43.743 41.198 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.460 -42.572 40.458 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 20.665 -44.661 42.491 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 20.430 -45.363 43.138 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 20.112 -44.861 41.713 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.450 -41.077 40.294 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 23.961 -41.058 41.127 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 24.110 -40.847 39.611 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 20.220 -41.126 46.277 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 20.807 -40.615 46.870 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 19.385 -40.623 46.277 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 26.008 -41.242 41.409 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 26.913 -41.462 41.632 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.032 -41.063 40.446 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 17.171 -44.357 44.181 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 18.022 -43.899 44.385 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 16.668 -43.711 43.662 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 19.301 -38.356 49.563 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 18.514 -38.938 49.615 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 19.259 -37.981 48.662 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 22.035 -43.000 37.567 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.950 -42.885 37.248 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 22.140 -43.307 38.494 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 26.203 -28.800 15.259 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.856 -27.885 15.345 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 26.570 -28.835 14.344 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.229 -31.785 10.802 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 19.845 -31.204 10.113 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.292 -31.206 11.597 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 27.520 -21.636 11.925 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 28.080 -22.296 12.387 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 28.015 -20.801 12.011 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 25.999 -23.582 14.745 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 26.891 -23.381 15.098 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 25.499 -22.761 14.893 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.644 -34.865 14.632 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 24.335 -34.493 15.219 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 22.995 -34.152 14.544 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 23.645 -28.189 17.114 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 22.978 -27.860 16.467 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 23.956 -27.369 17.572 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 21.574 -33.711 9.288 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.151 -33.228 8.694 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 21.118 -33.011 9.805 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 19.494 -31.588 16.493 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 20.042 -31.695 17.291 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 19.546 -30.622 16.291 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 19.774 -25.789 10.958 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 20.201 -25.695 11.841 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 19.696 -24.871 10.632 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 27.280 -29.492 12.867 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.469 -29.457 11.927 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 27.170 -30.451 13.057 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 25.716 -24.577 12.234 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 25.847 -24.237 13.143 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 26.104 -23.899 11.671 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 21.222 -25.616 13.383 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 21.103 -26.206 14.154 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 22.169 -25.702 13.166 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 29.265 -23.433 13.065 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 29.894 -23.682 12.382 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 29.349 -24.145 13.740 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 26.724 -32.045 13.670 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 26.052 -31.769 14.328 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.497 -32.960 13.472 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 27.856 -26.004 16.993 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 27.019 -26.032 16.488 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 27.770 -26.743 17.634 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.566 -19.010 9.361 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.385 -18.327 10.037 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.410 -19.413 9.653 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.297 -34.727 17.964 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.028 -35.586 17.575 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.089 -34.469 17.446 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 22.463 -30.511 16.391 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.921 -29.717 16.745 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.665 -30.146 15.952 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 24.967 -31.232 15.613 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 24.010 -31.108 15.800 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 25.313 -30.316 15.530 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 30.801 -29.501 24.286 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 30.676 -29.389 25.250 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 31.093 -30.434 24.190 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 20.115 -33.928 12.653 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 20.515 -33.648 13.509 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 20.164 -33.128 12.092 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 24.932 -29.118 19.332 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 24.438 -29.072 18.487 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.663 -28.290 19.806 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.058 -28.485 13.082 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.759 -28.246 13.990 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.831 -27.899 12.928 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 21.708 -32.444 18.141 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 22.105 -31.788 17.527 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 22.237 -33.256 18.000 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 27.703 -30.289 16.939 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 27.123 -29.741 16.357 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 28.227 -30.813 16.320 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 27.414 -28.152 18.635 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 26.507 -28.334 18.962 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 27.617 -28.917 18.057 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 26.000 -19.799 10.491 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 26.333 -20.680 10.743 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 26.717 -19.194 10.752 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 25.404 -33.785 16.470 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.046 -33.851 17.216 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 25.368 -32.825 16.269 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 24.152 -18.014 5.780 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.725 -18.549 6.342 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 24.757 -17.465 5.275 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 29.620 -25.276 15.024 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 30.372 -25.856 15.176 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 28.970 -25.543 15.712 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 32.278 -23.096 19.642 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 31.584 -23.677 20.030 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 33.104 -23.498 19.922 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 27.421 -27.625 24.020 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 27.082 -26.792 23.672 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 28.157 -27.855 23.417 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 20.054 -35.574 16.788 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 19.570 -36.041 16.092 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 20.934 -36.020 16.806 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 19.151 -23.353 9.641 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 19.458 -22.438 9.601 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 18.180 -23.283 9.541 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 30.384 -24.746 20.667 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 30.344 -24.914 21.633 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 30.201 -25.629 20.265 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 29.629 -27.158 19.795 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 29.657 -27.639 20.645 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 28.847 -27.529 19.335 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 22.053 -24.929 16.885 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.949 -25.121 17.240 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 21.847 -25.704 16.326 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 29.653 -28.040 22.394 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 30.149 -28.643 23.010 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 29.982 -27.144 22.627 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.264 -30.516 21.809 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 27.887 -30.621 20.909 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 28.808 -29.709 21.751 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.856 -31.079 19.456 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 27.183 -30.882 18.551 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 26.068 -30.497 19.557 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 25.477 -26.129 15.527 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 25.597 -25.212 15.191 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 25.010 -26.007 16.395 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 26.884 -33.753 18.741 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.975 -34.340 19.499 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.902 -32.853 19.128 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.203 -38.894 17.778 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 28.157 -37.943 17.657 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 27.262 -39.184 17.785 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.319 -32.868 23.258 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 29.148 -33.341 23.059 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.387 -32.036 22.740 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.401 -36.773 21.591 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 24.647 -37.062 22.147 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.437 -35.811 21.728 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.346 -39.456 21.094 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 25.462 -38.483 21.184 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 25.366 -39.608 20.135 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 17.164 -18.345 8.693 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 16.989 -19.290 8.485 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 17.635 -18.371 9.549 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 20.919 -33.493 15.175 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 20.747 -34.184 15.841 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 20.451 -32.703 15.527 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 20.646 -35.796 10.776 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 20.544 -35.191 11.547 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 21.124 -35.250 10.110 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 30.514 -21.505 18.300 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 31.281 -21.975 18.704 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 29.807 -22.180 18.290 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 28.300 -22.584 15.874 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 28.592 -23.027 16.700 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 29.005 -22.782 15.236 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 29.448 -19.357 16.659 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 29.648 -20.277 16.896 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 30.101 -18.839 17.157 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 23.971 -26.514 13.146 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 24.409 -26.526 14.018 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 24.543 -25.930 12.601 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 26.091 -20.912 15.701 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 25.657 -21.048 16.578 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 26.946 -21.391 15.781 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 20.197 -38.107 12.157 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 19.472 -38.486 11.638 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.503 -37.343 11.619 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 17.758 -20.735 4.164 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 17.576 -21.487 4.739 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 18.621 -20.398 4.482 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 22.175 -35.916 34.386 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 22.887 -36.124 35.017 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 22.256 -34.953 34.251 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 20.141 -17.436 31.470 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 19.429 -16.809 31.697 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 19.714 -18.317 31.538 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 28.596 -17.795 30.325 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 27.974 -18.547 30.365 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 28.095 -17.097 29.868 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 22.869 -32.534 29.014 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.531 -31.863 28.397 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 23.839 -32.501 28.893 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 25.164 -32.925 31.067 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 25.469 -32.957 30.139 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 25.217 -31.968 31.300 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 25.187 -30.214 31.501 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 24.914 -29.980 32.393 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 25.243 -29.349 31.033 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.304 -41.622 30.406 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.010 -40.689 30.379 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 25.515 -42.110 30.705 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 31.634 -32.112 24.071 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 32.570 -32.318 24.135 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 31.205 -32.983 23.934 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.088 -25.733 28.474 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 24.668 -26.269 27.763 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 25.988 -25.569 28.146 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 25.591 -27.682 30.494 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 25.204 -26.970 29.947 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 26.525 -27.669 30.268 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.435 -30.115 35.142 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.862 -29.811 35.874 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 21.053 -29.690 34.352 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.208 -22.122 29.316 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 25.894 -22.388 28.665 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 24.797 -22.959 29.578 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 18.935 -26.140 32.672 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.251 -27.025 32.930 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 17.970 -26.171 32.843 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 18.874 -19.857 31.837 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 18.534 -19.550 32.712 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 18.086 -20.168 31.375 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 29.007 -21.216 28.894 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 28.438 -20.649 29.449 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 29.518 -20.583 28.349 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 28.549 -19.853 23.513 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 27.664 -19.651 23.877 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 28.503 -19.528 22.589 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 30.956 -23.156 24.626 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 31.356 -23.306 25.487 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 30.981 -22.183 24.517 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.500 -23.923 31.928 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 19.814 -24.614 32.067 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.228 -24.203 32.491 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 30.535 -34.599 23.635 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 29.721 -35.032 23.979 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 31.184 -35.337 23.575 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.260 -30.086 26.546 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.847 -30.756 26.160 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 23.371 -30.496 26.505 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 24.983 -34.142 22.359 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 24.231 -33.961 21.743 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 25.521 -33.342 22.315 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 24.908 -35.299 27.730 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 24.804 -35.328 26.760 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 24.982 -36.241 27.991 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 25.882 -32.209 25.583 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 26.802 -32.487 25.788 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 25.993 -31.517 24.881 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 25.530 -32.766 28.315 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 25.383 -33.734 28.167 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 25.604 -32.398 27.414 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 24.945 -35.013 32.910 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 25.268 -34.327 32.289 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.119 -34.628 33.802 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 30.252 -29.133 26.966 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 29.466 -29.635 27.267 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 30.927 -29.309 27.658 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 27.823 -25.690 27.713 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 27.474 -26.609 27.611 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 28.655 -25.704 27.208 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 19.682 -28.998 33.085 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 19.135 -29.737 33.438 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 19.446 -28.959 32.136 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 27.305 -22.975 27.733 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 28.015 -22.466 28.193 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 27.577 -23.915 27.832 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 24.105 -27.374 26.468 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 24.237 -28.335 26.633 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.256 -27.333 26.001 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 24.775 -19.025 26.734 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.943 -18.483 27.532 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 24.087 -19.644 27.013 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 18.389 -22.269 37.511 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 17.935 -22.839 36.876 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 17.765 -21.527 37.656 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 26.848 -22.135 25.149 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 26.903 -22.416 26.092 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 27.772 -22.062 24.870 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 30.220 -25.466 23.381 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 30.024 -25.950 24.213 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 30.522 -24.581 23.692 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 28.050 -30.727 27.664 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 28.304 -31.508 27.125 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 27.417 -31.079 28.308 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 25.197 -33.909 35.401 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.780 -33.104 35.754 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 24.868 -34.624 35.982 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 28.473 -32.904 26.006 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 28.740 -33.826 26.141 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 28.577 -32.765 25.038 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 27.788 -18.300 26.934 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 28.542 -18.928 26.947 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 27.047 -18.823 26.590 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 22.181 -20.636 33.535 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 21.827 -21.040 32.718 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 21.383 -20.338 34.024 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.963 -23.815 18.307 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 28.519 -24.620 17.961 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 29.334 -24.099 19.166 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 29.527 -26.724 25.721 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 29.943 -27.473 26.199 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 28.661 -27.076 25.438 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 19.662 -29.060 37.085 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 19.776 -28.143 37.382 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 18.739 -29.091 36.767 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 27.069 -28.177 27.090 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.355 -28.287 26.446 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 27.383 -29.088 27.257 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 23.399 -31.768 36.202 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 23.281 -31.616 37.149 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 22.802 -31.106 35.778 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 26.433 -30.208 23.861 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 26.632 -29.266 24.044 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 26.994 -30.423 23.090 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 23.804 -35.985 36.671 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 23.172 -35.595 37.309 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 23.635 -36.949 36.729 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 22.909 -36.852 30.583 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 22.159 -36.904 29.962 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 22.849 -37.678 31.102 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 32.189 -29.694 28.871 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 33.095 -29.415 28.699 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 32.245 -30.197 29.689 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 20.529 -33.081 37.408 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 20.999 -33.872 37.758 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 19.583 -33.239 37.645 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 25.070 -37.774 33.194 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 24.165 -37.962 32.911 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.142 -36.795 33.132 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.464 -33.184 34.057 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 22.962 -32.736 34.775 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 21.526 -33.003 34.273 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 25.896 -19.603 24.261 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 25.981 -20.554 24.459 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 25.390 -19.246 25.023 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 19.842 -33.456 34.801 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 19.513 -34.365 34.874 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 20.111 -33.224 35.721 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 18.097 -24.356 42.410 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 18.328 -24.289 41.452 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 17.718 -25.250 42.498 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 23.502 -20.204 35.968 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 22.768 -20.493 36.545 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.204 -20.445 35.071 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 26.185 -19.105 32.782 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 26.310 -18.844 33.710 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 25.244 -18.894 32.602 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.548 -18.549 32.459 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.212 -17.874 33.062 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 23.129 -19.381 32.773 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 21.130 -21.355 31.048 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 20.325 -20.837 31.258 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 20.867 -22.287 31.225 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 23.037 -20.316 29.283 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 22.391 -20.743 29.887 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 23.794 -20.935 29.267 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 25.226 -38.001 27.972 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 24.463 -38.369 27.481 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 25.202 -38.464 28.838 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 25.109 -34.945 24.990 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 25.277 -34.015 25.240 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.914 -34.899 24.029 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 25.112 -22.458 23.045 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 25.695 -22.506 23.830 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 24.557 -23.245 23.112 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 22.896 -38.565 36.567 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 22.596 -38.998 35.738 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 22.433 -39.067 37.276 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 21.676 -40.311 38.292 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 21.656 -41.203 37.896 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 22.150 -40.438 39.137 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 18.784 -31.356 42.377 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 18.878 -30.705 43.103 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 19.704 -31.466 42.035 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 17.247 -33.083 46.724 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 17.245 -33.018 45.742 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 16.595 -32.404 47.010 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.155 -35.532 42.440 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 19.751 -36.411 42.278 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 19.590 -34.920 41.951 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 16.978 -32.570 44.078 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 16.526 -31.719 44.248 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 17.605 -32.367 43.359 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 22.473 -35.224 40.938 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 21.748 -35.472 41.542 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 22.978 -34.550 41.440 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.255 -30.818 38.812 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 20.725 -30.121 38.383 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 21.008 -31.633 38.329 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.374 -31.448 41.601 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.087 -32.094 41.794 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 21.501 -31.222 40.652 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.177 -33.276 42.743 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 23.694 -32.605 43.246 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 22.753 -33.820 43.445 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 21.598 -30.375 44.233 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 21.525 -30.654 43.300 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 20.690 -30.108 44.474 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 24.112 -31.359 44.431 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 23.221 -30.941 44.453 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 24.575 -30.967 45.173 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 21.723 -34.752 44.544 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.128 -35.098 43.846 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 21.128 -34.448 45.233 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 21.715 -35.349 38.360 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 21.268 -36.202 38.375 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 22.071 -35.247 39.279 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 19.394 -13.245 4.205 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 20.328 -13.468 4.248 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 19.032 -13.864 3.539 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 22.907 -9.564 12.947 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 23.617 -9.023 13.357 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 23.183 -10.491 13.124 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 21.521 -10.315 10.580 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.588 -11.253 10.868 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 22.042 -9.828 11.251 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 29.621 -16.994 19.488 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 29.471 -16.518 18.647 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 30.348 -17.617 19.283 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.396 -14.005 12.495 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.385 -14.901 12.902 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 26.185 -14.018 11.912 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.713 -12.830 11.574 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 22.245 -12.611 12.373 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.908 -13.255 11.929 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 26.847 -18.478 16.801 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.802 -18.692 16.724 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 26.401 -19.239 16.392 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 24.974 -8.505 14.491 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 25.634 -9.151 14.767 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 24.910 -7.893 15.243 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 23.564 -12.204 13.483 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 23.404 -12.496 14.410 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.319 -12.762 13.186 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 24.661 -6.979 16.935 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 24.435 -6.351 17.651 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 23.849 -7.529 16.845 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.912 -5.693 6.164 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 19.618 -6.140 6.694 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.010 -4.759 6.383 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 25.822 -19.280 13.507 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 25.443 -19.857 12.826 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 25.892 -19.857 14.301 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 23.088 -11.021 17.795 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 23.822 -10.821 18.420 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 22.276 -10.930 18.336 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 28.854 -7.851 17.959 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 28.373 -7.364 17.248 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 29.760 -7.532 17.890 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 20.575 -14.038 16.876 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 20.709 -13.784 17.820 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 20.182 -14.935 16.926 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.591 -14.431 10.434 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 22.844 -13.855 10.713 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 24.304 -14.215 11.070 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 19.754 -9.218 16.438 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 20.042 -9.247 15.502 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 18.778 -9.146 16.380 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.322 -8.384 17.245 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 22.633 -9.310 17.304 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 21.395 -8.464 16.938 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 30.669 -14.174 14.973 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 31.633 -14.164 14.990 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 30.445 -14.101 14.039 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 23.076 -13.111 16.014 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 22.191 -13.475 16.230 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 23.163 -12.330 16.605 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 27.156 -14.112 10.379 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 27.525 -13.384 9.869 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 26.726 -14.671 9.721 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 29.309 -9.938 19.825 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 28.532 -10.515 19.998 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 28.974 -9.263 19.203 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.029 -11.597 6.364 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 19.068 -12.240 5.618 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 18.854 -10.739 5.925 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 25.157 -16.630 13.347 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 24.884 -16.289 14.236 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 25.438 -17.556 13.522 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 20.731 -16.682 12.093 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 20.681 -17.151 12.941 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 21.626 -16.907 11.746 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 29.396 -15.632 17.096 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 29.223 -14.684 17.274 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 29.891 -15.625 16.262 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 20.603 -10.417 18.903 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 19.801 -10.768 19.331 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 20.267 -9.972 18.093 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 26.657 -15.875 17.421 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 27.624 -15.813 17.311 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 26.471 -16.838 17.319 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 21.886 -18.689 7.170 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 22.617 -18.411 6.574 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 22.341 -18.909 8.015 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 24.631 -15.375 15.655 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 24.172 -14.540 15.875 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 25.308 -15.472 16.358 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 27.300 -6.488 16.198 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 27.325 -5.886 15.447 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 26.348 -6.566 16.413 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 17.308 -13.152 18.241 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 17.040 -14.076 18.404 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 17.619 -13.155 17.314 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 20.609 -12.088 8.546 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 20.268 -11.661 7.734 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 20.947 -11.346 9.084 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 20.765 -6.890 7.720 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.293 -7.512 8.321 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.692 -7.119 7.827 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 30.972 -11.803 18.629 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 30.487 -11.046 19.022 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 31.590 -12.069 19.315 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 29.050 -12.917 17.036 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 29.519 -13.025 16.191 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 29.714 -12.488 17.626 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 21.694 -14.640 8.248 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 21.388 -13.718 8.371 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 22.453 -14.721 8.854 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 18.367 -17.583 11.046 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 18.222 -18.188 11.819 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 19.263 -17.218 11.202 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 17.226 -9.807 22.260 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 17.791 -10.560 22.037 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 16.579 -9.770 21.524 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 26.311 -8.367 18.839 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 27.238 -8.155 18.608 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 25.786 -7.776 18.279 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 30.144 -9.510 22.412 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 30.517 -8.634 22.288 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 29.811 -9.756 21.522 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 20.833 -13.460 19.514 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 20.124 -12.940 19.944 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 21.649 -13.155 19.946 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 29.749 -16.498 24.177 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 28.942 -16.557 23.622 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 29.415 -16.292 25.065 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 28.521 -14.348 21.402 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 28.149 -15.146 21.830 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 29.166 -14.699 20.777 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 27.547 -16.711 22.475 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 26.573 -16.582 22.486 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 27.674 -17.523 21.941 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 20.272 -9.238 13.693 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 19.932 -10.154 13.541 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 21.213 -9.285 13.415 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 19.221 -16.419 17.018 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 18.932 -16.794 16.141 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 19.932 -17.009 17.300 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.420 -14.302 12.294 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.976 -15.109 12.185 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.599 -14.636 12.707 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 28.114 -18.824 12.123 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 28.707 -18.207 12.562 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 27.325 -18.857 12.708 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 20.005 -19.711 5.422 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 19.961 -18.909 4.859 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 20.673 -19.484 6.105 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 17.645 -16.991 6.267 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 18.593 -16.810 6.436 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 17.406 -17.652 6.944 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 23.352 -17.031 11.327 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 23.983 -16.960 12.078 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 23.430 -16.168 10.868 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 20.274 -16.469 6.782 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 20.768 -17.295 6.984 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 20.781 -15.767 7.256 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 31.380 -18.941 18.690 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 31.047 -19.868 18.647 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 32.333 -19.038 18.794 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 30.324 -12.205 31.414 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 29.505 -11.675 31.398 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 30.139 -12.944 30.791 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 27.635 -11.289 31.559 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 27.144 -10.449 31.695 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 27.750 -11.649 32.469 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 23.175 -7.627 26.888 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 22.472 -6.973 26.831 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 23.220 -8.014 25.986 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.321 -8.894 31.985 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.690 -8.413 32.769 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 26.453 -8.282 31.251 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 31.053 -12.748 33.968 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 31.246 -13.706 33.904 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 30.874 -12.481 33.039 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 31.554 -16.091 29.036 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 32.017 -16.847 28.622 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 32.210 -15.720 29.663 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.941 -9.482 33.252 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 23.249 -9.320 32.574 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 24.779 -9.230 32.804 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 32.569 -18.065 27.340 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 32.440 -17.665 26.445 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 33.460 -18.430 27.307 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 19.437 -8.184 34.743 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 19.993 -7.604 35.269 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 19.483 -9.050 35.210 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 16.706 -9.745 26.154 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 17.436 -9.357 25.614 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 16.997 -9.626 27.065 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 25.049 -17.921 29.280 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 24.136 -17.895 29.628 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 25.478 -18.637 29.784 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 28.160 -9.725 26.708 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 28.770 -10.015 25.990 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 27.591 -9.051 26.282 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 29.753 -10.763 24.777 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 29.808 -10.276 23.922 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 30.500 -11.366 24.750 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 33.059 -12.044 31.190 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 32.082 -11.983 31.268 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 33.347 -11.130 31.111 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 21.878 -9.763 31.449 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 22.322 -9.596 30.584 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.929 -9.832 31.215 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 22.869 -9.434 28.937 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 22.738 -10.319 28.521 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.958 -8.824 28.177 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 23.690 -8.850 39.040 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 22.908 -9.118 38.563 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 24.422 -9.301 38.577 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 32.272 -17.172 24.798 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 31.331 -16.972 24.563 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 32.782 -16.583 24.234 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 24.448 -11.219 35.322 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 24.487 -10.450 34.718 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 24.783 -10.869 36.176 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 17.131 -11.527 34.403 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 17.251 -12.215 33.720 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 16.281 -11.766 34.838 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 19.297 -9.630 30.381 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 19.245 -8.749 30.002 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 18.761 -9.569 31.207 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 19.431 -10.709 35.762 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 19.970 -11.506 35.925 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 18.614 -11.056 35.342 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 22.200 -17.691 29.621 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 22.374 -18.643 29.458 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 21.561 -17.688 30.365 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 29.544 -14.473 30.049 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 29.092 -14.932 30.779 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 30.232 -15.107 29.756 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 28.246 -10.794 37.363 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 28.013 -11.693 37.045 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 28.985 -10.939 37.965 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 31.233 -15.297 32.849 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 31.906 -15.101 32.167 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 31.066 -16.265 32.745 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 25.524 -10.421 37.684 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 25.429 -11.336 38.021 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 26.493 -10.289 37.619 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 26.295 -12.775 29.643 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 26.731 -12.424 30.444 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 26.065 -11.969 29.123 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 28.481 -14.928 32.857 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 28.370 -13.984 33.081 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 29.444 -15.083 32.939 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 25.976 -10.606 28.126 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 25.248 -9.973 28.121 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 26.635 -10.220 27.510 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 29.588 -16.117 27.083 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 29.162 -16.990 27.172 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 30.311 -16.132 27.748 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 27.255 -7.525 34.098 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 27.967 -8.071 34.514 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 27.130 -6.797 34.714 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 28.893 -11.339 28.888 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 28.730 -10.624 28.240 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 28.379 -11.076 29.668 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 21.195 -12.993 35.874 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 21.770 -13.322 36.597 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 20.364 -13.523 35.969 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 29.066 -8.977 35.457 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 28.688 -9.551 36.152 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 29.968 -9.336 35.316 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 23.536 -8.783 24.424 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 22.660 -9.230 24.332 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 23.859 -8.714 23.517 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 22.076 -10.521 21.269 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 21.565 -10.370 20.449 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 22.607 -11.320 21.076 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 25.823 -8.360 26.060 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 25.302 -7.766 26.621 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 25.190 -8.663 25.386 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 23.320 -16.450 35.686 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 23.614 -15.530 35.489 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 22.558 -16.594 35.082 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 25.074 -10.609 19.651 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 25.453 -9.744 19.365 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 25.840 -11.087 20.028 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 27.284 -13.213 36.516 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 27.284 -14.106 36.104 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 26.526 -13.240 37.141 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 31.444 -10.317 35.156 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 32.391 -10.167 35.190 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 31.355 -11.224 34.787 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 21.174 -9.988 23.765 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 20.687 -10.806 24.020 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 21.434 -10.147 22.828 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 18.099 -9.539 32.797 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 18.522 -8.906 33.421 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 17.510 -10.078 33.369 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 26.589 -13.255 18.249 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 26.444 -14.201 18.045 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 27.363 -13.011 17.701 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 25.174 -13.080 38.309 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 25.186 -13.322 39.243 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 24.268 -13.333 38.009 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 27.429 -11.967 20.444 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 27.856 -12.671 20.980 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 27.127 -12.439 19.632 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 24.448 -14.013 35.229 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 24.547 -13.042 35.319 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 25.363 -14.341 35.119 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 26.821 -15.496 35.029 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 26.614 -16.440 35.165 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 27.380 -15.486 34.218 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 25.426 -18.198 35.423 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 24.726 -17.519 35.497 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 24.973 -19.030 35.679 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 28.268 -12.396 34.004 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 29.224 -12.356 34.205 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 27.846 -12.511 34.878 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 22.612 -13.998 38.087 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 21.772 -13.788 38.567 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 22.729 -14.959 38.223 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 26.849 -19.981 30.303 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 26.277 -20.746 30.090 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 26.673 -19.808 31.263 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 21.119 -17.082 40.206 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 21.833 -16.882 39.563 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 20.787 -17.943 39.929 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 18.662 -8.844 24.456 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 18.185 -9.024 23.620 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 19.583 -9.102 24.265 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 19.620 -11.860 32.593 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 19.077 -11.049 32.616 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 18.970 -12.576 32.434 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 33.176 -14.746 30.927 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 34.077 -14.925 31.216 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 33.118 -13.760 30.923 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 19.633 -15.195 41.448 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 20.107 -15.936 40.998 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 20.239 -14.916 42.142 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 30.243 -19.534 27.080 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 30.495 -19.892 26.202 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 31.037 -19.040 27.373 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 27.018 -16.261 28.551 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 26.198 -16.655 28.919 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 27.321 -16.924 27.891 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 30.699 -17.836 32.093 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 29.950 -17.746 31.459 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 30.866 -18.780 32.126 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 30.981 -20.370 24.539 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 30.094 -20.217 24.124 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 31.519 -19.633 24.221 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 23.130 -16.753 38.349 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 23.856 -17.355 38.551 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 23.116 -16.720 37.361 1.00 0.00 WAT1 END