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: -723.424, 84.2737, 111.211, 46.2426, 565.42, -585.325, -948.386, 3.0244, 0.115325 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.492915E-03,0.449114,1.10957,42.6005,4.056277E-03,0.112337 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 48, 5 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:15 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 19.139 -25.763 -8.410 1.00 55.50 ATOM 2 CB MET 1 19.683 -26.503 -10.356 1.00 14.11 ATOM 3 HB1 MET 1 19.995 -27.448 -10.782 1.00 37.19 ATOM 4 HB2 MET 1 20.510 -25.808 -10.410 1.00 64.02 ATOM 5 CG MET 1 18.542 -25.951 -11.204 1.00 45.33 ATOM 6 HG1 MET 1 17.775 -26.708 -11.292 1.00 37.19 ATOM 7 HG2 MET 1 18.923 -25.715 -12.188 1.00 1.12 ATOM 8 SD MET 1 17.804 -24.462 -10.499 1.00 33.23 ATOM 9 CE MET 1 19.180 -23.313 -10.583 1.00 42.31 ATOM 10 HE1 MET 1 20.003 -23.693 -9.995 1.00 21.34 ATOM 11 HE2 MET 1 18.872 -22.351 -10.194 1.00 15.31 ATOM 12 HE3 MET 1 19.495 -23.202 -11.609 1.00 10.00 ATOM 13 C MET 1 18.042 -27.569 -8.757 1.00 22.11 ATOM 14 O MET 1 18.101 -28.790 -8.598 1.00 63.04 ATOM 15 N MET 1 20.456 -27.370 -8.162 1.00 13.04 ATOM 16 HT1 MET 1 21.310 -26.784 -8.239 1.00 37.19 ATOM 17 HT2 MET 1 20.655 -28.305 -8.575 1.00 37.19 ATOM 18 HT3 MET 1 20.225 -27.496 -7.154 1.00 37.19 ATOM 19 CA MET 1 19.319 -26.724 -8.875 1.00 44.30 ATOM 20 N GLY 2 16.886 -26.914 -8.824 1.00 50.23 ATOM 21 HN GLY 2 16.889 -25.938 -8.938 1.00 37.19 ATOM 22 CA GLY 2 15.621 -27.630 -8.734 1.00 52.05 ATOM 23 HA1 GLY 2 15.601 -28.181 -7.805 1.00 37.19 ATOM 24 HA2 GLY 2 15.561 -28.332 -9.554 1.00 33.34 ATOM 25 C GLY 2 14.405 -26.714 -8.784 1.00 71.20 ATOM 26 O GLY 2 14.408 -25.630 -8.198 1.00 21.14 ATOM 27 N HIS 3 13.366 -27.154 -9.488 1.00 42.12 ATOM 28 HN HIS 3 13.445 -28.010 -9.963 1.00 37.19 ATOM 29 CA HIS 3 12.114 -26.399 -9.587 1.00 22.02 ATOM 30 HA HIS 3 12.359 -25.345 -9.576 1.00 43.11 ATOM 31 CB HIS 3 11.410 -26.734 -10.912 1.00 62.30 ATOM 32 HB1 HIS 3 11.193 -27.793 -10.937 1.00 37.19 ATOM 33 HB2 HIS 3 12.072 -26.492 -11.731 1.00 34.13 ATOM 34 CG HIS 3 10.124 -25.993 -11.132 1.00 15.32 ATOM 35 ND1 HIS 3 10.051 -24.800 -11.815 1.00 71.35 ATOM 36 HD1 HIS 3 10.808 -24.320 -12.213 1.00 12.30 ATOM 37 CD2 HIS 3 8.851 -26.289 -10.767 1.00 3.33 ATOM 38 HD2 HIS 3 8.529 -27.156 -10.210 1.00 32.45 ATOM 39 CE1 HIS 3 8.801 -24.394 -11.861 1.00 50.13 ATOM 40 HE1 HIS 3 8.448 -23.492 -12.333 1.00 61.31 ATOM 41 NE2 HIS 3 8.053 -25.277 -11.234 1.00 31.24 ATOM 42 HE2 HIS 3 7.074 -25.285 -11.241 1.00 37.19 ATOM 43 C HIS 3 11.192 -26.709 -8.393 1.00 12.11 ATOM 44 O HIS 3 10.556 -27.766 -8.348 1.00 44.32 ATOM 45 N HIS 4 11.124 -25.790 -7.426 1.00 5.34 ATOM 46 HN HIS 4 11.646 -24.960 -7.518 1.00 37.19 ATOM 47 CA HIS 4 10.286 -25.981 -6.233 1.00 11.33 ATOM 48 HA HIS 4 9.321 -26.334 -6.569 1.00 2.40 ATOM 49 CB HIS 4 10.905 -27.045 -5.308 1.00 13.23 ATOM 50 HB1 HIS 4 11.038 -27.961 -5.868 1.00 37.19 ATOM 51 HB2 HIS 4 10.228 -27.233 -4.487 1.00 60.43 ATOM 52 CG HIS 4 12.237 -26.666 -4.726 1.00 5.01 ATOM 53 ND1 HIS 4 12.584 -26.936 -3.420 1.00 14.21 ATOM 54 HD1 HIS 4 12.020 -27.397 -2.765 1.00 62.22 ATOM 55 CD2 HIS 4 13.315 -26.049 -5.273 1.00 30.42 ATOM 56 HD2 HIS 4 13.401 -25.687 -6.289 1.00 32.45 ATOM 57 CE1 HIS 4 13.808 -26.506 -3.190 1.00 4.12 ATOM 58 HE1 HIS 4 14.337 -26.580 -2.252 1.00 1.12 ATOM 59 NE2 HIS 4 14.275 -25.965 -4.295 1.00 35.43 ATOM 60 HE2 HIS 4 15.220 -25.753 -4.453 1.00 37.19 ATOM 61 C HIS 4 10.078 -24.661 -5.464 1.00 74.42 ATOM 62 O HIS 4 11.024 -23.907 -5.243 1.00 0.30 ATOM 63 N HIS 5 8.832 -24.392 -5.062 1.00 73.31 ATOM 64 HN HIS 5 8.118 -25.024 -5.290 1.00 37.19 ATOM 65 CA HIS 5 8.497 -23.176 -4.307 1.00 53.24 ATOM 66 HA HIS 5 8.869 -22.334 -4.876 1.00 3.50 ATOM 67 CB HIS 5 6.971 -23.035 -4.169 1.00 51.11 ATOM 68 HB1 HIS 5 6.548 -22.829 -5.143 1.00 37.19 ATOM 69 HB2 HIS 5 6.750 -22.210 -3.509 1.00 75.02 ATOM 70 CG HIS 5 6.289 -24.255 -3.620 1.00 50.51 ATOM 71 ND1 HIS 5 5.700 -25.211 -4.421 1.00 31.42 ATOM 72 HD1 HIS 5 5.654 -25.188 -5.405 1.00 71.24 ATOM 73 CD2 HIS 5 6.096 -24.676 -2.345 1.00 4.15 ATOM 74 HD2 HIS 5 6.425 -24.174 -1.447 1.00 42.24 ATOM 75 CE1 HIS 5 5.181 -26.159 -3.671 1.00 31.45 ATOM 76 HE1 HIS 5 4.659 -27.034 -4.029 1.00 11.31 ATOM 77 NE2 HIS 5 5.406 -25.860 -2.411 1.00 14.22 ATOM 78 HE2 HIS 5 5.037 -26.348 -1.643 1.00 37.19 ATOM 79 C HIS 5 9.173 -23.155 -2.922 1.00 73.44 ATOM 80 O HIS 5 9.256 -24.180 -2.236 1.00 73.24 ATOM 81 N HIS 6 9.641 -21.975 -2.515 1.00 31.11 ATOM 82 HN HIS 6 9.471 -21.183 -3.072 1.00 37.19 ATOM 83 CA HIS 6 10.395 -21.811 -1.265 1.00 35.23 ATOM 84 HA HIS 6 11.123 -22.609 -1.216 1.00 24.43 ATOM 85 CB HIS 6 11.141 -20.466 -1.299 1.00 42.24 ATOM 86 HB1 HIS 6 10.416 -19.668 -1.383 1.00 37.19 ATOM 87 HB2 HIS 6 11.783 -20.447 -2.165 1.00 21.21 ATOM 88 CG HIS 6 11.995 -20.187 -0.096 1.00 4.15 ATOM 89 ND1 HIS 6 11.817 -19.085 0.712 1.00 14.31 ATOM 90 HD1 HIS 6 11.123 -18.401 0.602 1.00 55.43 ATOM 91 CD2 HIS 6 13.057 -20.851 0.417 1.00 13.53 ATOM 92 HD2 HIS 6 13.484 -21.767 0.037 1.00 62.01 ATOM 93 CE1 HIS 6 12.726 -19.083 1.662 1.00 54.23 ATOM 94 HE1 HIS 6 12.828 -18.336 2.436 1.00 12.42 ATOM 95 NE2 HIS 6 13.491 -20.143 1.510 1.00 13.44 ATOM 96 HE2 HIS 6 14.097 -20.492 2.202 1.00 37.19 ATOM 97 C HIS 6 9.482 -21.905 -0.024 1.00 50.11 ATOM 98 O HIS 6 9.105 -20.894 0.568 1.00 53.52 ATOM 99 N HIS 7 9.138 -23.134 0.363 1.00 4.34 ATOM 100 HN HIS 7 9.467 -23.895 -0.156 1.00 37.19 ATOM 101 CA HIS 7 8.263 -23.380 1.525 1.00 12.45 ATOM 102 HA HIS 7 7.614 -22.522 1.640 1.00 24.10 ATOM 103 CB HIS 7 7.394 -24.623 1.266 1.00 2.54 ATOM 104 HB1 HIS 7 6.813 -24.462 0.368 1.00 37.19 ATOM 105 HB2 HIS 7 6.721 -24.765 2.099 1.00 53.33 ATOM 106 CG HIS 7 8.177 -25.892 1.086 1.00 3.03 ATOM 107 ND1 HIS 7 8.436 -26.776 2.112 1.00 20.40 ATOM 108 HD1 HIS 7 8.144 -26.675 3.047 1.00 30.24 ATOM 109 CD2 HIS 7 8.757 -26.428 -0.015 1.00 12.44 ATOM 110 HD2 HIS 7 8.750 -26.007 -1.009 1.00 61.21 ATOM 111 CE1 HIS 7 9.136 -27.793 1.653 1.00 34.14 ATOM 112 HE1 HIS 7 9.475 -28.640 2.232 1.00 60.34 ATOM 113 NE2 HIS 7 9.346 -27.606 0.367 1.00 42.11 ATOM 114 HE2 HIS 7 9.691 -28.288 -0.247 1.00 37.19 ATOM 115 C HIS 7 9.072 -23.559 2.824 1.00 40.15 ATOM 116 O HIS 7 8.718 -24.365 3.687 1.00 71.13 ATOM 117 N HIS 8 10.137 -22.776 2.972 1.00 3.11 ATOM 118 HN HIS 8 10.322 -22.095 2.293 1.00 37.19 ATOM 119 CA HIS 8 11.033 -22.890 4.132 1.00 44.21 ATOM 120 HA HIS 8 10.438 -23.189 4.984 1.00 42.34 ATOM 121 CB HIS 8 12.091 -23.974 3.861 1.00 71.32 ATOM 122 HB1 HIS 8 12.584 -23.755 2.924 1.00 37.19 ATOM 123 HB2 HIS 8 11.599 -24.931 3.783 1.00 70.01 ATOM 124 CG HIS 8 13.148 -24.091 4.919 1.00 2.20 ATOM 125 ND1 HIS 8 14.405 -23.543 4.781 1.00 55.21 ATOM 126 HD1 HIS 8 14.728 -23.039 4.002 1.00 71.35 ATOM 127 CD2 HIS 8 13.140 -24.704 6.129 1.00 25.31 ATOM 128 HD2 HIS 8 12.312 -25.236 6.575 1.00 0.34 ATOM 129 CE1 HIS 8 15.121 -23.809 5.854 1.00 22.31 ATOM 130 HE1 HIS 8 16.140 -23.498 6.024 1.00 1.21 ATOM 131 NE2 HIS 8 14.381 -24.512 6.686 1.00 10.42 ATOM 132 HE2 HIS 8 14.721 -24.968 7.489 1.00 37.19 ATOM 133 C HIS 8 11.712 -21.547 4.451 1.00 75.23 ATOM 134 O HIS 8 12.716 -21.190 3.836 1.00 11.44 ATOM 135 N SER 9 11.154 -20.802 5.404 1.00 41.22 ATOM 136 HN SER 9 10.340 -21.127 5.850 1.00 37.19 ATOM 137 CA SER 9 11.706 -19.494 5.793 1.00 55.03 ATOM 138 HA SER 9 12.784 -19.580 5.798 1.00 53.23 ATOM 139 CB SER 9 11.300 -18.418 4.778 1.00 45.40 ATOM 140 HB1 SER 9 11.728 -18.654 3.816 1.00 37.19 ATOM 141 HB2 SER 9 11.667 -17.456 5.107 1.00 43.12 ATOM 142 OG SER 9 9.887 -18.345 4.642 1.00 32.13 ATOM 143 HG SER 9 9.666 -17.717 3.944 1.00 51.54 ATOM 144 C SER 9 11.239 -19.072 7.192 1.00 2.34 ATOM 145 O SER 9 10.090 -19.298 7.568 1.00 1.21 ATOM 146 N HIS 10 12.141 -18.457 7.957 1.00 31.53 ATOM 147 HN HIS 10 13.047 -18.320 7.605 1.00 37.19 ATOM 148 CA HIS 10 11.823 -17.972 9.309 1.00 13.03 ATOM 149 HA HIS 10 10.999 -17.278 9.221 1.00 22.24 ATOM 150 CB HIS 10 11.397 -19.140 10.223 1.00 32.32 ATOM 151 HB1 HIS 10 10.477 -19.563 9.846 1.00 37.19 ATOM 152 HB2 HIS 10 11.227 -18.765 11.222 1.00 41.33 ATOM 153 CG HIS 10 12.409 -20.247 10.313 1.00 32.34 ATOM 154 ND1 HIS 10 12.235 -21.474 9.715 1.00 4.34 ATOM 155 HD1 HIS 10 11.453 -21.749 9.192 1.00 63.22 ATOM 156 CD2 HIS 10 13.609 -20.310 10.941 1.00 50.32 ATOM 157 HD2 HIS 10 14.072 -19.523 11.518 1.00 12.43 ATOM 158 CE1 HIS 10 13.275 -22.240 9.968 1.00 5.40 ATOM 159 HE1 HIS 10 13.408 -23.257 9.627 1.00 54.24 ATOM 160 NE2 HIS 10 14.126 -21.559 10.709 1.00 22.10 ATOM 161 HE2 HIS 10 15.062 -21.813 10.857 1.00 37.19 ATOM 162 C HIS 10 13.014 -17.239 9.942 1.00 61.53 ATOM 163 O HIS 10 14.146 -17.349 9.472 1.00 63.23 ATOM 164 N MET 11 12.746 -16.492 11.009 1.00 61.33 ATOM 165 HN MET 11 11.810 -16.336 11.255 1.00 37.19 ATOM 166 CA MET 11 13.806 -15.901 11.835 1.00 22.54 ATOM 167 HA MET 11 14.667 -15.720 11.204 1.00 30.23 ATOM 168 CB MET 11 13.332 -14.569 12.441 1.00 42.05 ATOM 169 HB1 MET 11 14.120 -14.167 13.062 1.00 37.19 ATOM 170 HB2 MET 11 12.463 -14.755 13.057 1.00 41.32 ATOM 171 CG MET 11 12.964 -13.518 11.399 1.00 14.31 ATOM 172 HG1 MET 11 12.160 -13.903 10.786 1.00 37.19 ATOM 173 HG2 MET 11 13.827 -13.327 10.778 1.00 34.03 ATOM 174 SD MET 11 12.431 -11.959 12.134 1.00 73.22 ATOM 175 CE MET 11 12.121 -10.977 10.668 1.00 31.34 ATOM 176 HE1 MET 11 13.033 -10.879 10.098 1.00 70.32 ATOM 177 HE2 MET 11 11.771 -9.997 10.957 1.00 72.23 ATOM 178 HE3 MET 11 11.370 -11.462 10.062 1.00 52.11 ATOM 179 C MET 11 14.204 -16.885 12.947 1.00 13.41 ATOM 180 O MET 11 13.735 -18.026 12.961 1.00 33.31 ATOM 181 N ASN 12 15.064 -16.467 13.874 1.00 64.03 ATOM 182 HN ASN 12 15.440 -15.562 13.818 1.00 37.19 ATOM 183 CA ASN 12 15.463 -17.353 14.971 1.00 61.24 ATOM 184 HA ASN 12 15.834 -18.267 14.525 1.00 4.34 ATOM 185 CB ASN 12 16.581 -16.735 15.817 1.00 60.21 ATOM 186 HB1 ASN 12 16.177 -15.922 16.404 1.00 37.19 ATOM 187 HB2 ASN 12 17.353 -16.355 15.163 1.00 3.04 ATOM 188 CG ASN 12 17.203 -17.752 16.761 1.00 65.13 ATOM 189 OD1 ASN 12 16.744 -17.945 17.882 1.00 12.21 ATOM 190 ND2 ASN 12 18.242 -18.428 16.306 1.00 31.40 ATOM 191 HD21 ASN 12 18.554 -18.242 15.396 1.00 10.13 ATOM 192 HD22 ASN 12 18.657 -19.091 16.897 1.00 43.04 ATOM 193 C ASN 12 14.254 -17.702 15.855 1.00 14.41 ATOM 194 O ASN 12 13.863 -16.934 16.738 1.00 64.12 ATOM 195 N SER 13 13.664 -18.866 15.597 1.00 34.15 ATOM 196 HN SER 13 14.055 -19.448 14.909 1.00 37.19 ATOM 197 CA SER 13 12.458 -19.313 16.304 1.00 1.40 ATOM 198 HA SER 13 11.762 -18.485 16.321 1.00 63.51 ATOM 199 CB SER 13 11.810 -20.487 15.556 1.00 61.30 ATOM 200 HB1 SER 13 12.492 -21.325 15.542 1.00 37.19 ATOM 201 HB2 SER 13 11.593 -20.188 14.541 1.00 1.14 ATOM 202 OG SER 13 10.601 -20.892 16.174 1.00 32.32 ATOM 203 HG SER 13 10.314 -21.732 15.799 1.00 42.53 ATOM 204 C SER 13 12.769 -19.722 17.751 1.00 53.01 ATOM 205 O SER 13 11.870 -19.857 18.581 1.00 4.44 ATOM 206 N ALA 14 14.048 -19.924 18.050 1.00 53.54 ATOM 207 HN ALA 14 14.723 -19.846 17.340 1.00 37.19 ATOM 208 CA ALA 14 14.471 -20.279 19.405 1.00 13.52 ATOM 209 HA ALA 14 13.852 -21.103 19.735 1.00 33.15 ATOM 210 CB ALA 14 15.914 -20.757 19.397 1.00 4.44 ATOM 211 HB1 ALA 14 16.563 -19.943 19.106 1.00 11.20 ATOM 212 HB2 ALA 14 16.021 -21.570 18.693 1.00 21.33 ATOM 213 HB3 ALA 14 16.189 -21.100 20.386 1.00 23.42 ATOM 214 C ALA 14 14.295 -19.109 20.389 1.00 3.44 ATOM 215 O ALA 14 13.855 -19.311 21.520 1.00 1.25 ATOM 216 N GLU 15 14.637 -17.890 19.954 1.00 73.13 ATOM 217 HN GLU 15 15.003 -17.795 19.048 1.00 37.19 ATOM 218 CA GLU 15 14.498 -16.690 20.801 1.00 64.23 ATOM 219 HA GLU 15 15.194 -16.791 21.620 1.00 43.25 ATOM 220 CB GLU 15 14.851 -15.417 20.010 1.00 10.24 ATOM 221 HB1 GLU 15 14.607 -14.554 20.614 1.00 37.19 ATOM 222 HB2 GLU 15 14.254 -15.391 19.108 1.00 12.43 ATOM 223 CG GLU 15 16.319 -15.316 19.607 1.00 44.55 ATOM 224 HG1 GLU 15 16.537 -16.092 18.886 1.00 37.19 ATOM 225 HG2 GLU 15 16.930 -15.466 20.486 1.00 30.45 ATOM 226 CD GLU 15 16.669 -13.966 18.992 1.00 53.10 ATOM 227 OE1 GLU 15 16.397 -13.759 17.793 1.00 34.40 ATOM 228 OE2 GLU 15 17.219 -13.104 19.712 1.00 50.52 ATOM 229 C GLU 15 13.079 -16.559 21.386 1.00 14.43 ATOM 230 O GLU 15 12.899 -16.516 22.607 1.00 73.23 ATOM 231 N GLN 16 12.076 -16.502 20.508 1.00 23.11 ATOM 232 HN GLN 16 12.284 -16.512 19.551 1.00 37.19 ATOM 233 CA GLN 16 10.671 -16.411 20.934 1.00 3.12 ATOM 234 HA GLN 16 10.551 -15.473 21.459 1.00 51.03 ATOM 235 CB GLN 16 9.736 -16.414 19.711 1.00 64.35 ATOM 236 HB1 GLN 16 9.871 -15.489 19.168 1.00 37.19 ATOM 237 HB2 GLN 16 8.712 -16.469 20.055 1.00 14.12 ATOM 238 CG GLN 16 9.982 -17.573 18.748 1.00 0.53 ATOM 239 HG1 GLN 16 10.030 -18.490 19.320 1.00 37.19 ATOM 240 HG2 GLN 16 10.929 -17.417 18.252 1.00 23.24 ATOM 241 CD GLN 16 8.904 -17.721 17.688 1.00 24.31 ATOM 242 OE1 GLN 16 8.246 -16.759 17.306 1.00 35.30 ATOM 243 NE2 GLN 16 8.731 -18.926 17.185 1.00 65.11 ATOM 244 HE21 GLN 16 9.302 -19.654 17.514 1.00 62.12 ATOM 245 HE22 GLN 16 8.039 -19.045 16.505 1.00 0.22 ATOM 246 C GLN 16 10.289 -17.559 21.887 1.00 31.14 ATOM 247 O GLN 16 9.559 -17.356 22.857 1.00 51.34 ATOM 248 N THR 17 10.796 -18.761 21.607 1.00 73.14 ATOM 249 HN THR 17 11.376 -18.860 20.824 1.00 37.19 ATOM 250 CA THR 17 10.507 -19.942 22.437 1.00 73.11 ATOM 251 HA THR 17 9.431 -20.049 22.488 1.00 42.24 ATOM 252 CB THR 17 11.088 -21.237 21.812 1.00 13.25 ATOM 253 HB THR 17 12.163 -21.135 21.735 1.00 41.11 ATOM 254 OG1 THR 17 10.543 -21.435 20.498 1.00 62.04 ATOM 255 HG1 THR 17 11.192 -21.179 19.835 1.00 54.33 ATOM 256 CG2 THR 17 10.774 -22.456 22.675 1.00 52.14 ATOM 257 HG21 THR 17 11.179 -23.344 22.208 1.00 61.00 ATOM 258 HG22 THR 17 9.704 -22.561 22.776 1.00 5.41 ATOM 259 HG23 THR 17 11.216 -22.331 23.654 1.00 22.30 ATOM 260 C THR 17 11.052 -19.776 23.865 1.00 21.34 ATOM 261 O THR 17 10.342 -20.031 24.841 1.00 2.14 ATOM 262 N VAL 18 12.309 -19.338 23.984 1.00 20.43 ATOM 263 HN VAL 18 12.841 -19.187 23.172 1.00 37.19 ATOM 264 CA VAL 18 12.913 -19.070 25.299 1.00 64.01 ATOM 265 HA VAL 18 12.937 -20.000 25.850 1.00 45.51 ATOM 266 CB VAL 18 14.367 -18.536 25.168 1.00 71.32 ATOM 267 HB VAL 18 14.333 -17.598 24.629 1.00 42.22 ATOM 268 CG1 VAL 18 14.977 -18.266 26.545 1.00 45.24 ATOM 269 HG11 VAL 18 15.993 -17.918 26.429 1.00 42.25 ATOM 270 HG12 VAL 18 14.973 -19.176 27.127 1.00 14.55 ATOM 271 HG13 VAL 18 14.397 -17.511 27.058 1.00 43.10 ATOM 272 CG2 VAL 18 15.239 -19.509 24.372 1.00 73.41 ATOM 273 HG21 VAL 18 16.233 -19.097 24.264 1.00 60.24 ATOM 274 HG22 VAL 18 14.809 -19.665 23.394 1.00 34.30 ATOM 275 HG23 VAL 18 15.297 -20.454 24.892 1.00 25.01 ATOM 276 C VAL 18 12.072 -18.049 26.081 1.00 3.22 ATOM 277 O VAL 18 11.686 -18.288 27.228 1.00 73.43 ATOM 278 N THR 19 11.780 -16.919 25.437 1.00 22.23 ATOM 279 HN THR 19 12.150 -16.779 24.537 1.00 37.19 ATOM 280 CA THR 19 10.932 -15.875 26.028 1.00 75.31 ATOM 281 HA THR 19 11.442 -15.489 26.900 1.00 20.13 ATOM 282 CB THR 19 10.717 -14.706 25.032 1.00 13.34 ATOM 283 HB THR 19 10.265 -15.100 24.132 1.00 74.44 ATOM 284 OG1 THR 19 11.982 -14.114 24.693 1.00 1.42 ATOM 285 HG1 THR 19 11.980 -13.867 23.757 1.00 34.33 ATOM 286 CG2 THR 19 9.794 -13.636 25.613 1.00 14.34 ATOM 287 HG21 THR 19 10.214 -13.254 26.532 1.00 53.11 ATOM 288 HG22 THR 19 8.822 -14.064 25.813 1.00 13.23 ATOM 289 HG23 THR 19 9.690 -12.827 24.905 1.00 45.21 ATOM 290 C THR 19 9.565 -16.434 26.459 1.00 45.44 ATOM 291 O THR 19 9.057 -16.111 27.538 1.00 5.42 ATOM 292 N TRP 20 8.990 -17.288 25.615 1.00 44.54 ATOM 293 HN TRP 20 9.451 -17.506 24.776 1.00 37.19 ATOM 294 CA TRP 20 7.689 -17.915 25.886 1.00 41.02 ATOM 295 HA TRP 20 6.982 -17.120 26.093 1.00 13.02 ATOM 296 CB TRP 20 7.219 -18.680 24.640 1.00 22.33 ATOM 297 HB1 TRP 20 7.975 -19.403 24.366 1.00 37.19 ATOM 298 HB2 TRP 20 7.092 -17.982 23.824 1.00 61.13 ATOM 299 CG TRP 20 5.922 -19.413 24.817 1.00 4.11 ATOM 300 CD1 TRP 20 4.717 -18.882 25.183 1.00 62.41 ATOM 301 HD1 TRP 20 4.552 -17.837 25.406 1.00 70.11 ATOM 302 CD2 TRP 20 5.702 -20.814 24.611 1.00 14.42 ATOM 303 NE1 TRP 20 3.763 -19.870 25.224 1.00 65.21 ATOM 304 HE1 TRP 20 2.820 -19.742 25.466 1.00 3.24 ATOM 305 CE2 TRP 20 4.344 -21.065 24.880 1.00 40.13 ATOM 306 CE3 TRP 20 6.524 -21.880 24.232 1.00 20.41 ATOM 307 HE3 TRP 20 7.573 -21.727 24.018 1.00 51.20 ATOM 308 CZ2 TRP 20 3.789 -22.337 24.777 1.00 34.22 ATOM 309 HZ2 TRP 20 2.746 -22.523 24.984 1.00 33.21 ATOM 310 CZ3 TRP 20 5.972 -23.143 24.130 1.00 52.10 ATOM 311 HZ3 TRP 20 6.592 -23.981 23.840 1.00 53.24 ATOM 312 CH2 TRP 20 4.616 -23.362 24.403 1.00 61.14 ATOM 313 HH2 TRP 20 4.229 -24.366 24.314 1.00 1.22 ATOM 314 C TRP 20 7.743 -18.850 27.113 1.00 53.21 ATOM 315 O TRP 20 6.819 -18.878 27.927 1.00 52.14 ATOM 316 N LEU 21 8.828 -19.607 27.249 1.00 41.22 ATOM 317 HN LEU 21 9.519 -19.581 26.551 1.00 37.19 ATOM 318 CA LEU 21 9.008 -20.492 28.409 1.00 21.32 ATOM 319 HA LEU 21 8.113 -21.093 28.504 1.00 43.22 ATOM 320 CB LEU 21 10.209 -21.425 28.190 1.00 42.41 ATOM 321 HB1 LEU 21 10.337 -22.026 29.080 1.00 37.19 ATOM 322 HB2 LEU 21 11.093 -20.814 28.062 1.00 23.54 ATOM 323 CG LEU 21 10.100 -22.372 26.983 1.00 4.52 ATOM 324 HG LEU 21 10.029 -21.781 26.081 1.00 72.51 ATOM 325 CD1 LEU 21 11.348 -23.246 26.869 1.00 41.22 ATOM 326 HD11 LEU 21 12.219 -22.618 26.743 1.00 71.45 ATOM 327 HD12 LEU 21 11.254 -23.902 26.015 1.00 74.51 ATOM 328 HD13 LEU 21 11.461 -23.838 27.766 1.00 33.44 ATOM 329 CD2 LEU 21 8.843 -23.236 27.080 1.00 32.42 ATOM 330 HD21 LEU 21 8.873 -23.822 27.987 1.00 71.44 ATOM 331 HD22 LEU 21 8.793 -23.897 26.225 1.00 75.14 ATOM 332 HD23 LEU 21 7.969 -22.601 27.092 1.00 31.10 ATOM 333 C LEU 21 9.198 -19.687 29.709 1.00 12.01 ATOM 334 O LEU 21 8.739 -20.093 30.781 1.00 3.24 ATOM 335 N ILE 22 9.875 -18.544 29.606 1.00 4.11 ATOM 336 HN ILE 22 10.230 -18.279 28.731 1.00 37.19 ATOM 337 CA ILE 22 10.115 -17.679 30.767 1.00 25.50 ATOM 338 HA ILE 22 10.482 -18.306 31.570 1.00 11.11 ATOM 339 CB ILE 22 11.199 -16.606 30.464 1.00 1.12 ATOM 340 HB ILE 22 10.863 -16.015 29.621 1.00 75.41 ATOM 341 CG1 ILE 22 12.533 -17.285 30.102 1.00 24.12 ATOM 342 HG11 ILE 22 12.382 -17.927 29.245 1.00 37.19 ATOM 343 HG12 ILE 22 12.863 -17.886 30.937 1.00 32.22 ATOM 344 CG2 ILE 22 11.382 -15.667 31.657 1.00 45.14 ATOM 345 HG21 ILE 22 12.106 -14.903 31.410 1.00 42.05 ATOM 346 HG22 ILE 22 11.732 -16.230 32.509 1.00 25.55 ATOM 347 HG23 ILE 22 10.438 -15.200 31.899 1.00 21.24 ATOM 348 CD1 ILE 22 13.649 -16.316 29.763 1.00 52.41 ATOM 349 HD11 ILE 22 13.851 -15.683 30.615 1.00 25.25 ATOM 350 HD12 ILE 22 13.354 -15.705 28.922 1.00 22.12 ATOM 351 HD13 ILE 22 14.540 -16.871 29.509 1.00 73.12 ATOM 352 C ILE 22 8.820 -16.991 31.245 1.00 3.02 ATOM 353 O ILE 22 8.541 -16.952 32.444 1.00 23.00 ATOM 354 N THR 23 8.020 -16.466 30.310 1.00 52.21 ATOM 355 HN THR 23 8.273 -16.540 29.364 1.00 37.19 ATOM 356 CA THR 23 6.767 -15.772 30.676 1.00 73.03 ATOM 357 HA THR 23 7.034 -14.979 31.363 1.00 72.22 ATOM 358 CB THR 23 6.064 -15.121 29.455 1.00 43.00 ATOM 359 HB THR 23 6.736 -14.391 29.024 1.00 54.51 ATOM 360 OG1 THR 23 4.862 -14.453 29.873 1.00 62.51 ATOM 361 HG1 THR 23 4.735 -13.664 29.335 1.00 1.43 ATOM 362 CG2 THR 23 5.716 -16.150 28.386 1.00 31.15 ATOM 363 HG21 THR 23 5.179 -15.666 27.582 1.00 3.23 ATOM 364 HG22 THR 23 5.098 -16.924 28.816 1.00 61.24 ATOM 365 HG23 THR 23 6.624 -16.588 27.997 1.00 23.21 ATOM 366 C THR 23 5.776 -16.709 31.387 1.00 14.35 ATOM 367 O THR 23 5.054 -16.291 32.294 1.00 70.45 ATOM 368 N LEU 24 5.759 -17.983 30.987 1.00 74.04 ATOM 369 HN LEU 24 6.327 -18.254 30.234 1.00 37.19 ATOM 370 CA LEU 24 4.900 -18.990 31.633 1.00 55.52 ATOM 371 HA LEU 24 3.950 -18.519 31.847 1.00 24.51 ATOM 372 CB LEU 24 4.658 -20.168 30.677 1.00 65.35 ATOM 373 HB1 LEU 24 4.150 -20.953 31.222 1.00 37.19 ATOM 374 HB2 LEU 24 5.620 -20.544 30.353 1.00 60.22 ATOM 375 CG LEU 24 3.823 -19.828 29.429 1.00 11.02 ATOM 376 HG LEU 24 4.301 -19.017 28.898 1.00 25.22 ATOM 377 CD1 LEU 24 3.747 -21.023 28.484 1.00 61.10 ATOM 378 HD11 LEU 24 3.135 -20.768 27.631 1.00 65.44 ATOM 379 HD12 LEU 24 3.312 -21.867 29.000 1.00 64.14 ATOM 380 HD13 LEU 24 4.742 -21.280 28.148 1.00 30.33 ATOM 381 CD2 LEU 24 2.417 -19.368 29.823 1.00 44.44 ATOM 382 HD21 LEU 24 1.908 -20.164 30.350 1.00 72.40 ATOM 383 HD22 LEU 24 1.859 -19.114 28.934 1.00 73.32 ATOM 384 HD23 LEU 24 2.485 -18.499 30.462 1.00 52.24 ATOM 385 C LEU 24 5.500 -19.493 32.959 1.00 52.12 ATOM 386 O LEU 24 4.917 -20.347 33.628 1.00 54.22 ATOM 387 N GLY 25 6.670 -18.966 33.325 1.00 51.11 ATOM 388 HN GLY 25 7.112 -18.330 32.726 1.00 37.19 ATOM 389 CA GLY 25 7.298 -19.310 34.599 1.00 14.43 ATOM 390 HA1 GLY 25 6.588 -19.130 35.394 1.00 37.19 ATOM 391 HA2 GLY 25 8.149 -18.663 34.747 1.00 15.25 ATOM 392 C GLY 25 7.774 -20.759 34.685 1.00 53.03 ATOM 393 O GLY 25 7.925 -21.303 35.781 1.00 51.23 ATOM 394 N VAL 26 8.015 -21.390 33.535 1.00 45.22 ATOM 395 HN VAL 26 7.870 -20.912 32.690 1.00 37.19 ATOM 396 CA VAL 26 8.482 -22.784 33.503 1.00 12.31 ATOM 397 HA VAL 26 8.252 -23.233 34.461 1.00 25.45 ATOM 398 CB VAL 26 7.749 -23.601 32.411 1.00 23.52 ATOM 399 HB VAL 26 8.031 -24.640 32.523 1.00 34.23 ATOM 400 CG1 VAL 26 6.241 -23.504 32.605 1.00 23.44 ATOM 401 HG11 VAL 26 5.938 -22.467 32.579 1.00 41.24 ATOM 402 HG12 VAL 26 5.974 -23.932 33.561 1.00 24.53 ATOM 403 HG13 VAL 26 5.739 -24.047 31.818 1.00 3.31 ATOM 404 CG2 VAL 26 8.154 -23.148 31.008 1.00 71.33 ATOM 405 HG21 VAL 26 7.642 -23.752 30.272 1.00 41.43 ATOM 406 HG22 VAL 26 9.221 -23.266 30.887 1.00 34.20 ATOM 407 HG23 VAL 26 7.889 -22.110 30.870 1.00 54.22 ATOM 408 C VAL 26 9.998 -22.870 33.280 1.00 62.53 ATOM 409 O VAL 26 10.618 -23.903 33.537 1.00 24.01 ATOM 410 N LEU 27 10.582 -21.777 32.799 1.00 74.31 ATOM 411 HN LEU 27 10.026 -21.003 32.578 1.00 37.19 ATOM 412 CA LEU 27 12.029 -21.691 32.581 1.00 70.31 ATOM 413 HA LEU 27 12.489 -22.550 33.049 1.00 43.42 ATOM 414 CB LEU 27 12.337 -21.715 31.077 1.00 44.14 ATOM 415 HB1 LEU 27 11.817 -20.888 30.614 1.00 37.19 ATOM 416 HB2 LEU 27 11.944 -22.636 30.667 1.00 45.31 ATOM 417 CG LEU 27 13.826 -21.616 30.702 1.00 73.52 ATOM 418 HG LEU 27 14.224 -20.688 31.089 1.00 12.41 ATOM 419 CD1 LEU 27 14.623 -22.760 31.324 1.00 2.43 ATOM 420 HD11 LEU 27 14.250 -23.706 30.957 1.00 13.10 ATOM 421 HD12 LEU 27 14.523 -22.727 32.400 1.00 72.32 ATOM 422 HD13 LEU 27 15.665 -22.657 31.060 1.00 12.02 ATOM 423 CD2 LEU 27 13.996 -21.602 29.183 1.00 3.15 ATOM 424 HD21 LEU 27 13.577 -22.506 28.762 1.00 31.21 ATOM 425 HD22 LEU 27 15.047 -21.548 28.939 1.00 34.45 ATOM 426 HD23 LEU 27 13.488 -20.744 28.770 1.00 55.14 ATOM 427 C LEU 27 12.601 -20.416 33.222 1.00 3.04 ATOM 428 O LEU 27 12.079 -19.318 33.023 1.00 23.22 ATOM 429 N GLU 28 13.671 -20.573 33.996 1.00 74.21 ATOM 430 HN GLU 28 14.043 -21.471 34.117 1.00 37.19 ATOM 431 CA GLU 28 14.312 -19.439 34.669 1.00 52.12 ATOM 432 HA GLU 28 13.528 -18.816 35.079 1.00 22.01 ATOM 433 CB GLU 28 15.190 -19.945 35.824 1.00 12.32 ATOM 434 HB1 GLU 28 14.558 -20.446 36.545 1.00 37.19 ATOM 435 HB2 GLU 28 15.659 -19.096 36.302 1.00 31.05 ATOM 436 CG GLU 28 16.285 -20.917 35.391 1.00 50.04 ATOM 437 HG1 GLU 28 16.942 -20.413 34.694 1.00 37.19 ATOM 438 HG2 GLU 28 15.823 -21.761 34.898 1.00 41.32 ATOM 439 CD GLU 28 17.113 -21.428 36.560 1.00 40.13 ATOM 440 OE1 GLU 28 16.752 -22.469 37.146 1.00 74.10 ATOM 441 OE2 GLU 28 18.124 -20.781 36.907 1.00 4.12 ATOM 442 C GLU 28 15.147 -18.592 33.691 1.00 55.14 ATOM 443 O GLU 28 15.605 -19.079 32.657 1.00 64.01 ATOM 444 N SER 29 15.337 -17.318 34.027 1.00 74.21 ATOM 445 HN SER 29 14.961 -16.991 34.870 1.00 37.19 ATOM 446 CA SER 29 16.093 -16.389 33.174 1.00 43.03 ATOM 447 HA SER 29 15.801 -16.575 32.150 1.00 13.30 ATOM 448 CB SER 29 15.742 -14.936 33.529 1.00 4.55 ATOM 449 HB1 SER 29 15.947 -14.764 34.575 1.00 37.19 ATOM 450 HB2 SER 29 14.692 -14.764 33.338 1.00 73.43 ATOM 451 OG SER 29 16.499 -14.013 32.756 1.00 4.02 ATOM 452 HG SER 29 17.091 -13.522 33.338 1.00 64.11 ATOM 453 C SER 29 17.613 -16.605 33.304 1.00 35.22 ATOM 454 O SER 29 18.129 -16.812 34.406 1.00 45.21 ATOM 455 N PRO 30 18.349 -16.555 32.175 1.00 51.31 ATOM 456 CA PRO 30 19.812 -16.767 32.157 1.00 13.13 ATOM 457 HA PRO 30 20.086 -17.678 32.673 1.00 13.20 ATOM 458 CB PRO 30 20.115 -16.916 30.661 1.00 54.00 ATOM 459 HB1 PRO 30 20.050 -17.957 30.378 1.00 37.19 ATOM 460 HB2 PRO 30 21.107 -16.541 30.446 1.00 64.05 ATOM 461 CG PRO 30 19.059 -16.103 29.992 1.00 24.25 ATOM 462 HG1 PRO 30 18.899 -16.458 28.984 1.00 37.19 ATOM 463 HG2 PRO 30 19.349 -15.060 29.981 1.00 23.34 ATOM 464 CD PRO 30 17.817 -16.294 30.821 1.00 50.54 ATOM 465 HD1 PRO 30 17.248 -17.141 30.462 1.00 37.19 ATOM 466 HD2 PRO 30 17.212 -15.399 30.809 1.00 21.20 ATOM 467 C PRO 30 20.608 -15.589 32.752 1.00 33.34 ATOM 468 O PRO 30 20.055 -14.520 33.030 1.00 71.10 ATOM 469 N LYS 31 21.912 -15.790 32.935 1.00 31.45 ATOM 470 HN LYS 31 22.297 -16.658 32.685 1.00 37.19 ATOM 471 CA LYS 31 22.791 -14.760 33.502 1.00 52.51 ATOM 472 HA LYS 31 22.332 -14.407 34.417 1.00 71.40 ATOM 473 CB LYS 31 24.168 -15.362 33.842 1.00 10.04 ATOM 474 HB1 LYS 31 24.573 -15.823 32.951 1.00 37.19 ATOM 475 HB2 LYS 31 24.035 -16.124 34.597 1.00 72.31 ATOM 476 CG LYS 31 25.192 -14.350 34.364 1.00 41.42 ATOM 477 HG1 LYS 31 25.388 -13.621 33.589 1.00 37.19 ATOM 478 HG2 LYS 31 26.107 -14.873 34.602 1.00 51.12 ATOM 479 CD LYS 31 24.699 -13.621 35.618 1.00 41.24 ATOM 480 HD1 LYS 31 23.732 -13.184 35.411 1.00 37.19 ATOM 481 HD2 LYS 31 25.399 -12.836 35.863 1.00 4.04 ATOM 482 CE LYS 31 24.572 -14.553 36.818 1.00 61.13 ATOM 483 HE1 LYS 31 23.975 -15.408 36.535 1.00 37.19 ATOM 484 HE2 LYS 31 24.078 -14.022 37.619 1.00 53.30 ATOM 485 NZ LYS 31 25.893 -15.025 37.302 1.00 50.42 ATOM 486 HZ1 LYS 31 26.459 -14.221 37.646 1.00 13.43 ATOM 487 HZ2 LYS 31 26.410 -15.496 36.535 1.00 1.13 ATOM 488 HZ3 LYS 31 25.767 -15.701 38.080 1.00 24.33 ATOM 489 C LYS 31 22.953 -13.563 32.549 1.00 60.43 ATOM 490 O LYS 31 23.041 -12.415 32.990 1.00 22.22 ATOM 491 N LYS 32 22.992 -13.835 31.247 1.00 11.34 ATOM 492 HN LYS 32 22.932 -14.772 30.953 1.00 37.19 ATOM 493 CA LYS 32 23.129 -12.778 30.236 1.00 32.04 ATOM 494 HA LYS 32 22.775 -11.850 30.668 1.00 24.13 ATOM 495 CB LYS 32 24.603 -12.615 29.842 1.00 71.20 ATOM 496 HB1 LYS 32 25.170 -12.349 30.723 1.00 37.19 ATOM 497 HB2 LYS 32 24.683 -11.814 29.120 1.00 61.31 ATOM 498 CG LYS 32 25.226 -13.873 29.235 1.00 65.35 ATOM 499 HG1 LYS 32 24.623 -14.191 28.394 1.00 37.19 ATOM 500 HG2 LYS 32 25.236 -14.654 29.984 1.00 62.15 ATOM 501 CD LYS 32 26.659 -13.628 28.758 1.00 13.53 ATOM 502 HD1 LYS 32 27.083 -14.567 28.429 1.00 37.19 ATOM 503 HD2 LYS 32 27.240 -13.242 29.583 1.00 73.01 ATOM 504 CE LYS 32 26.718 -12.629 27.605 1.00 73.52 ATOM 505 HE1 LYS 32 27.754 -12.422 27.375 1.00 37.19 ATOM 506 HE2 LYS 32 26.232 -11.713 27.908 1.00 14.33 ATOM 507 NZ LYS 32 26.049 -13.147 26.383 1.00 15.11 ATOM 508 HZ1 LYS 32 25.063 -13.402 26.590 1.00 24.35 ATOM 509 HZ2 LYS 32 26.544 -13.990 26.033 1.00 3.44 ATOM 510 HZ3 LYS 32 26.055 -12.422 25.638 1.00 50.01 ATOM 511 C LYS 32 22.294 -13.091 28.987 1.00 71.13 ATOM 512 O LYS 32 21.588 -14.098 28.938 1.00 12.22 ATOM 513 N THR 33 22.378 -12.223 27.975 1.00 72.24 ATOM 514 HN THR 33 22.898 -11.399 28.091 1.00 37.19 ATOM 515 CA THR 33 21.707 -12.474 26.695 1.00 35.54 ATOM 516 HA THR 33 20.669 -12.698 26.905 1.00 14.14 ATOM 517 CB THR 33 21.755 -11.236 25.761 1.00 62.34 ATOM 518 HB THR 33 22.790 -10.970 25.591 1.00 64.03 ATOM 519 OG1 THR 33 21.086 -10.125 26.385 1.00 35.40 ATOM 520 HG1 THR 33 20.214 -10.413 26.694 1.00 64.40 ATOM 521 CG2 THR 33 21.097 -11.530 24.415 1.00 63.01 ATOM 522 HG21 THR 33 21.136 -10.646 23.793 1.00 75.32 ATOM 523 HG22 THR 33 20.067 -11.813 24.571 1.00 22.44 ATOM 524 HG23 THR 33 21.621 -12.337 23.924 1.00 44.44 ATOM 525 C THR 33 22.338 -13.679 25.983 1.00 72.33 ATOM 526 O THR 33 23.518 -13.656 25.626 1.00 30.20 ATOM 527 N ILE 34 21.544 -14.727 25.790 1.00 55.32 ATOM 528 HN ILE 34 20.597 -14.650 26.025 1.00 37.19 ATOM 529 CA ILE 34 22.039 -15.997 25.246 1.00 23.31 ATOM 530 HA ILE 34 22.889 -16.298 25.844 1.00 53.20 ATOM 531 CB ILE 34 20.963 -17.103 25.361 1.00 74.15 ATOM 532 HB ILE 34 20.133 -16.837 24.720 1.00 73.31 ATOM 533 CG1 ILE 34 20.467 -17.207 26.811 1.00 32.25 ATOM 534 HG11 ILE 34 20.117 -16.238 27.136 1.00 37.19 ATOM 535 HG12 ILE 34 21.285 -17.517 27.444 1.00 22.14 ATOM 536 CG2 ILE 34 21.519 -18.449 24.887 1.00 52.24 ATOM 537 HG21 ILE 34 22.376 -18.717 25.489 1.00 23.23 ATOM 538 HG22 ILE 34 21.818 -18.374 23.851 1.00 51.41 ATOM 539 HG23 ILE 34 20.759 -19.211 24.987 1.00 51.33 ATOM 540 CD1 ILE 34 19.338 -18.195 27.003 1.00 71.44 ATOM 541 HD11 ILE 34 18.490 -17.898 26.402 1.00 40.32 ATOM 542 HD12 ILE 34 19.051 -18.214 28.044 1.00 64.12 ATOM 543 HD13 ILE 34 19.665 -19.180 26.702 1.00 14.50 ATOM 544 C ILE 34 22.487 -15.875 23.781 1.00 25.23 ATOM 545 O ILE 34 21.751 -15.370 22.932 1.00 53.00 ATOM 546 N SER 35 23.706 -16.338 23.503 1.00 55.42 ATOM 547 HN SER 35 24.268 -16.660 24.243 1.00 37.19 ATOM 548 CA SER 35 24.239 -16.377 22.134 1.00 4.51 ATOM 549 HA SER 35 24.162 -15.380 21.721 1.00 55.12 ATOM 550 CB SER 35 25.715 -16.801 22.146 1.00 41.43 ATOM 551 HB1 SER 35 26.293 -16.071 22.694 1.00 37.19 ATOM 552 HB2 SER 35 26.080 -16.859 21.132 1.00 31.43 ATOM 553 OG SER 35 25.877 -18.072 22.764 1.00 70.32 ATOM 554 HG SER 35 26.794 -18.361 22.671 1.00 54.32 ATOM 555 C SER 35 23.433 -17.342 21.256 1.00 24.34 ATOM 556 O SER 35 22.771 -16.930 20.297 1.00 12.40 ATOM 557 N ASP 36 23.504 -18.630 21.581 1.00 13.20 ATOM 558 HN ASP 36 24.116 -18.904 22.298 1.00 37.19 ATOM 559 CA ASP 36 22.718 -19.654 20.890 1.00 61.40 ATOM 560 HA ASP 36 22.294 -19.204 20.002 1.00 74.54 ATOM 561 CB ASP 36 23.617 -20.821 20.463 1.00 24.34 ATOM 562 HB1 ASP 36 24.149 -21.194 21.328 1.00 37.19 ATOM 563 HB2 ASP 36 24.332 -20.467 19.733 1.00 13.54 ATOM 564 CG ASP 36 22.831 -21.968 19.846 1.00 3.22 ATOM 565 OD1 ASP 36 21.838 -21.703 19.140 1.00 65.13 ATOM 566 OD2 ASP 36 23.205 -23.139 20.064 1.00 42.21 ATOM 567 C ASP 36 21.568 -20.163 21.778 1.00 51.42 ATOM 568 O ASP 36 21.777 -20.972 22.685 1.00 74.14 ATOM 569 N PRO 37 20.334 -19.676 21.541 1.00 53.35 ATOM 570 CA PRO 37 19.151 -20.139 22.279 1.00 10.22 ATOM 571 HA PRO 37 19.324 -20.115 23.347 1.00 13.24 ATOM 572 CB PRO 37 18.080 -19.102 21.915 1.00 24.43 ATOM 573 HB1 PRO 37 18.067 -18.318 22.659 1.00 37.19 ATOM 574 HB2 PRO 37 17.109 -19.577 21.872 1.00 71.51 ATOM 575 CG PRO 37 18.494 -18.578 20.581 1.00 13.00 ATOM 576 HG1 PRO 37 18.146 -17.562 20.462 1.00 37.19 ATOM 577 HG2 PRO 37 18.087 -19.206 19.799 1.00 34.41 ATOM 578 CD PRO 37 19.999 -18.625 20.556 1.00 61.14 ATOM 579 HD1 PRO 37 20.412 -17.671 20.855 1.00 37.19 ATOM 580 HD2 PRO 37 20.353 -18.894 19.570 1.00 52.42 ATOM 581 C PRO 37 18.711 -21.559 21.873 1.00 42.25 ATOM 582 O PRO 37 18.047 -22.253 22.645 1.00 64.02 ATOM 583 N GLU 38 19.102 -21.992 20.671 1.00 0.35 ATOM 584 HN GLU 38 19.662 -21.408 20.113 1.00 37.19 ATOM 585 CA GLU 38 18.735 -23.323 20.165 1.00 75.42 ATOM 586 HA GLU 38 17.662 -23.424 20.258 1.00 71.41 ATOM 587 CB GLU 38 19.117 -23.446 18.680 1.00 60.23 ATOM 588 HB1 GLU 38 18.903 -24.452 18.346 1.00 37.19 ATOM 589 HB2 GLU 38 20.176 -23.259 18.574 1.00 20.40 ATOM 590 CG GLU 38 18.360 -22.472 17.777 1.00 72.45 ATOM 591 HG1 GLU 38 18.486 -21.471 18.170 1.00 37.19 ATOM 592 HG2 GLU 38 17.309 -22.728 17.796 1.00 41.02 ATOM 593 CD GLU 38 18.830 -22.491 16.330 1.00 4.44 ATOM 594 OE1 GLU 38 18.640 -23.522 15.647 1.00 12.45 ATOM 595 OE2 GLU 38 19.369 -21.466 15.860 1.00 44.31 ATOM 596 C GLU 38 19.401 -24.436 20.991 1.00 52.32 ATOM 597 O GLU 38 18.721 -25.299 21.555 1.00 21.03 ATOM 598 N GLY 39 20.731 -24.403 21.070 1.00 74.14 ATOM 599 HN GLY 39 21.228 -23.730 20.552 1.00 37.19 ATOM 600 CA GLY 39 21.458 -25.357 21.905 1.00 60.25 ATOM 601 HA1 GLY 39 22.518 -25.182 21.789 1.00 37.19 ATOM 602 HA2 GLY 39 21.232 -26.359 21.571 1.00 71.53 ATOM 603 C GLY 39 21.098 -25.233 23.385 1.00 61.12 ATOM 604 O GLY 39 21.074 -26.226 24.119 1.00 35.43 ATOM 605 N PHE 40 20.819 -24.002 23.820 1.00 51.54 ATOM 606 HN PHE 40 20.920 -23.249 23.197 1.00 37.19 ATOM 607 CA PHE 40 20.383 -23.735 25.196 1.00 70.23 ATOM 608 HA PHE 40 21.171 -24.066 25.860 1.00 41.05 ATOM 609 CB PHE 40 20.169 -22.227 25.393 1.00 32.24 ATOM 610 HB1 PHE 40 19.526 -21.859 24.605 1.00 37.19 ATOM 611 HB2 PHE 40 21.125 -21.724 25.327 1.00 3.35 ATOM 612 CG PHE 40 19.542 -21.863 26.719 1.00 3.40 ATOM 613 CD1 PHE 40 20.314 -21.785 27.869 1.00 24.40 ATOM 614 HD1 PHE 40 21.376 -21.989 27.812 1.00 62.43 ATOM 615 CD2 PHE 40 18.181 -21.597 26.811 1.00 2.51 ATOM 616 HD2 PHE 40 17.568 -21.657 25.922 1.00 14.52 ATOM 617 CE1 PHE 40 19.743 -21.450 29.082 1.00 31.34 ATOM 618 HE1 PHE 40 20.354 -21.393 29.969 1.00 22.23 ATOM 619 CE2 PHE 40 17.607 -21.262 28.021 1.00 61.23 ATOM 620 HE2 PHE 40 16.549 -21.056 28.077 1.00 44.43 ATOM 621 CZ PHE 40 18.389 -21.187 29.158 1.00 62.43 ATOM 622 HZ PHE 40 17.942 -20.924 30.106 1.00 23.41 ATOM 623 C PHE 40 19.093 -24.500 25.538 1.00 3.53 ATOM 624 O PHE 40 19.010 -25.164 26.578 1.00 21.14 ATOM 625 N LEU 41 18.087 -24.394 24.668 1.00 4.14 ATOM 626 HN LEU 41 18.202 -23.828 23.871 1.00 37.19 ATOM 627 CA LEU 41 16.808 -25.089 24.869 1.00 11.04 ATOM 628 HA LEU 41 16.376 -24.715 25.786 1.00 63.00 ATOM 629 CB LEU 41 15.843 -24.791 23.713 1.00 13.21 ATOM 630 HB1 LEU 41 14.994 -25.456 23.798 1.00 37.19 ATOM 631 HB2 LEU 41 16.353 -25.008 22.783 1.00 40.33 ATOM 632 CG LEU 41 15.319 -23.347 23.652 1.00 4.54 ATOM 633 HG LEU 41 16.160 -22.671 23.579 1.00 12.24 ATOM 634 CD1 LEU 41 14.447 -23.139 22.415 1.00 74.43 ATOM 635 HD11 LEU 41 14.104 -22.115 22.383 1.00 73.30 ATOM 636 HD12 LEU 41 13.594 -23.802 22.457 1.00 61.35 ATOM 637 HD13 LEU 41 15.024 -23.352 21.526 1.00 60.34 ATOM 638 CD2 LEU 41 14.546 -23.002 24.924 1.00 54.31 ATOM 639 HD21 LEU 41 15.189 -23.129 25.784 1.00 25.41 ATOM 640 HD22 LEU 41 13.689 -23.654 25.017 1.00 64.24 ATOM 641 HD23 LEU 41 14.212 -21.975 24.876 1.00 35.45 ATOM 642 C LEU 41 17.005 -26.604 25.011 1.00 12.21 ATOM 643 O LEU 41 16.479 -27.218 25.937 1.00 14.12 ATOM 644 N GLN 42 17.774 -27.197 24.099 1.00 23.24 ATOM 645 HN GLN 42 18.160 -26.654 23.376 1.00 37.19 ATOM 646 CA GLN 42 18.050 -28.641 24.140 1.00 24.24 ATOM 647 HA GLN 42 17.109 -29.153 23.991 1.00 34.51 ATOM 648 CB GLN 42 19.010 -29.030 22.998 1.00 31.40 ATOM 649 HB1 GLN 42 19.948 -28.509 23.142 1.00 37.19 ATOM 650 HB2 GLN 42 18.577 -28.709 22.061 1.00 60.34 ATOM 651 CG GLN 42 19.307 -30.533 22.891 1.00 22.15 ATOM 652 HG1 GLN 42 19.614 -30.752 21.879 1.00 37.19 ATOM 653 HG2 GLN 42 18.402 -31.081 23.113 1.00 41.20 ATOM 654 CD GLN 42 20.400 -31.007 23.841 1.00 25.43 ATOM 655 OE1 GLN 42 21.330 -30.273 24.156 1.00 23.22 ATOM 656 NE2 GLN 42 20.297 -32.235 24.302 1.00 11.33 ATOM 657 HE21 GLN 42 19.530 -32.772 24.017 1.00 60.41 ATOM 658 HE22 GLN 42 20.985 -32.554 24.916 1.00 12.44 ATOM 659 C GLN 42 18.623 -29.063 25.506 1.00 75.14 ATOM 660 O GLN 42 18.162 -30.030 26.114 1.00 72.43 ATOM 661 N ALA 43 19.615 -28.318 25.991 1.00 51.03 ATOM 662 HN ALA 43 19.930 -27.547 25.470 1.00 37.19 ATOM 663 CA ALA 43 20.259 -28.622 27.278 1.00 25.21 ATOM 664 HA ALA 43 20.554 -29.663 27.260 1.00 22.45 ATOM 665 CB ALA 43 21.520 -27.781 27.444 1.00 42.11 ATOM 666 HB1 ALA 43 22.193 -27.972 26.620 1.00 74.54 ATOM 667 HB2 ALA 43 22.009 -28.038 28.373 1.00 14.51 ATOM 668 HB3 ALA 43 21.257 -26.733 27.455 1.00 54.12 ATOM 669 C ALA 43 19.312 -28.401 28.474 1.00 10.12 ATOM 670 O ALA 43 19.481 -29.010 29.533 1.00 13.14 ATOM 671 N SER 44 18.328 -27.517 28.310 1.00 1.54 ATOM 672 HN SER 44 18.243 -27.055 27.446 1.00 37.19 ATOM 673 CA SER 44 17.369 -27.211 29.388 1.00 64.25 ATOM 674 HA SER 44 17.894 -27.296 30.329 1.00 14.42 ATOM 675 CB SER 44 16.839 -25.778 29.249 1.00 35.20 ATOM 676 HB1 SER 44 16.335 -25.673 28.298 1.00 37.19 ATOM 677 HB2 SER 44 17.666 -25.085 29.291 1.00 74.53 ATOM 678 OG SER 44 15.925 -25.456 30.288 1.00 1.41 ATOM 679 HG SER 44 15.635 -26.261 30.731 1.00 2.33 ATOM 680 C SER 44 16.184 -28.187 29.401 1.00 40.13 ATOM 681 O SER 44 15.659 -28.526 30.462 1.00 4.34 ATOM 682 N LEU 45 15.760 -28.625 28.220 1.00 71.21 ATOM 683 HN LEU 45 16.236 -28.343 27.410 1.00 37.19 ATOM 684 CA LEU 45 14.597 -29.514 28.090 1.00 5.20 ATOM 685 HA LEU 45 13.928 -29.308 28.914 1.00 41.13 ATOM 686 CB LEU 45 13.866 -29.221 26.772 1.00 24.00 ATOM 687 HB1 LEU 45 12.981 -29.840 26.732 1.00 37.19 ATOM 688 HB2 LEU 45 14.517 -29.501 25.956 1.00 61.25 ATOM 689 CG LEU 45 13.439 -27.758 26.566 1.00 50.52 ATOM 690 HG LEU 45 14.320 -27.131 26.589 1.00 2.11 ATOM 691 CD1 LEU 45 12.776 -27.572 25.204 1.00 75.22 ATOM 692 HD11 LEU 45 13.477 -27.833 24.424 1.00 13.44 ATOM 693 HD12 LEU 45 12.477 -26.540 25.086 1.00 2.10 ATOM 694 HD13 LEU 45 11.906 -28.209 25.133 1.00 61.21 ATOM 695 CD2 LEU 45 12.510 -27.301 27.688 1.00 51.51 ATOM 696 HD21 LEU 45 13.021 -27.387 28.636 1.00 64.21 ATOM 697 HD22 LEU 45 11.625 -27.920 27.700 1.00 55.23 ATOM 698 HD23 LEU 45 12.226 -26.271 27.526 1.00 11.34 ATOM 699 C LEU 45 15.007 -30.995 28.146 1.00 50.43 ATOM 700 O LEU 45 14.154 -31.882 28.156 1.00 35.21 ATOM 701 N LYS 46 16.317 -31.237 28.196 1.00 73.01 ATOM 702 HN LYS 46 16.929 -30.472 28.203 1.00 37.19 ATOM 703 CA LYS 46 16.896 -32.592 28.227 1.00 44.34 ATOM 704 HA LYS 46 16.847 -32.995 27.225 1.00 40.34 ATOM 705 CB LYS 46 18.369 -32.491 28.647 1.00 14.52 ATOM 706 HB1 LYS 46 18.421 -31.974 29.595 1.00 37.19 ATOM 707 HB2 LYS 46 18.903 -31.912 27.906 1.00 52.34 ATOM 708 CG LYS 46 19.074 -33.836 28.799 1.00 14.32 ATOM 709 HG1 LYS 46 19.238 -34.260 27.819 1.00 37.19 ATOM 710 HG2 LYS 46 18.447 -34.500 29.379 1.00 61.21 ATOM 711 CD LYS 46 20.417 -33.683 29.506 1.00 13.32 ATOM 712 HD1 LYS 46 20.262 -33.163 30.443 1.00 37.19 ATOM 713 HD2 LYS 46 21.079 -33.103 28.880 1.00 23.32 ATOM 714 CE LYS 46 21.068 -35.029 29.792 1.00 55.04 ATOM 715 HE1 LYS 46 21.365 -35.482 28.857 1.00 37.19 ATOM 716 HE2 LYS 46 20.351 -35.669 30.289 1.00 15.43 ATOM 717 NZ LYS 46 22.264 -34.884 30.659 1.00 50.30 ATOM 718 HZ1 LYS 46 22.659 -35.819 30.882 1.00 10.43 ATOM 719 HZ2 LYS 46 22.006 -34.406 31.546 1.00 44.22 ATOM 720 HZ3 LYS 46 22.990 -34.319 30.174 1.00 5.42 ATOM 721 C LYS 46 16.156 -33.543 29.191 1.00 41.23 ATOM 722 O LYS 46 15.689 -34.610 28.793 1.00 41.32 ATOM 723 N ASP 47 16.068 -33.148 30.460 1.00 3.13 ATOM 724 HN ASP 47 16.434 -32.275 30.709 1.00 37.19 ATOM 725 CA ASP 47 15.464 -33.992 31.501 1.00 14.22 ATOM 726 HA ASP 47 15.812 -35.003 31.342 1.00 44.54 ATOM 727 CB ASP 47 15.944 -33.527 32.879 1.00 34.52 ATOM 728 HB1 ASP 47 15.471 -34.129 33.644 1.00 37.19 ATOM 729 HB2 ASP 47 15.668 -32.490 33.023 1.00 35.24 ATOM 730 CG ASP 47 17.451 -33.651 33.028 1.00 52.43 ATOM 731 OD1 ASP 47 17.917 -34.654 33.607 1.00 74.34 ATOM 732 OD2 ASP 47 18.179 -32.746 32.564 1.00 32.53 ATOM 733 C ASP 47 13.922 -34.000 31.449 1.00 21.33 ATOM 734 O ASP 47 13.275 -34.654 32.266 1.00 42.03 ATOM 735 N GLY 48 13.340 -33.259 30.506 1.00 33.12 ATOM 736 HN GLY 48 13.901 -32.724 29.908 1.00 37.19 ATOM 737 CA GLY 48 11.886 -33.261 30.326 1.00 10.32 ATOM 738 HA1 GLY 48 11.534 -34.282 30.379 1.00 37.19 ATOM 739 HA2 GLY 48 11.666 -32.877 29.340 1.00 33.33 ATOM 740 C GLY 48 11.110 -32.425 31.354 1.00 74.22 ATOM 741 O GLY 48 10.060 -31.866 31.031 1.00 71.55 ATOM 742 N VAL 49 11.629 -32.334 32.583 1.00 51.21 ATOM 743 HN VAL 49 12.489 -32.764 32.758 1.00 37.19 ATOM 744 CA VAL 49 10.948 -31.635 33.693 1.00 55.42 ATOM 745 HA VAL 49 10.129 -32.263 34.017 1.00 41.35 ATOM 746 CB VAL 49 11.905 -31.440 34.898 1.00 63.21 ATOM 747 HB VAL 49 12.701 -30.775 34.591 1.00 62.33 ATOM 748 CG1 VAL 49 11.177 -30.794 36.080 1.00 63.22 ATOM 749 HG11 VAL 49 10.344 -31.415 36.376 1.00 51.51 ATOM 750 HG12 VAL 49 10.812 -29.819 35.791 1.00 33.24 ATOM 751 HG13 VAL 49 11.860 -30.688 36.911 1.00 23.21 ATOM 752 CG2 VAL 49 12.535 -32.772 35.310 1.00 2.42 ATOM 753 HG21 VAL 49 13.079 -33.188 34.474 1.00 23.00 ATOM 754 HG22 VAL 49 11.760 -33.462 35.612 1.00 45.44 ATOM 755 HG23 VAL 49 13.213 -32.611 36.135 1.00 51.41 ATOM 756 C VAL 49 10.376 -30.262 33.281 1.00 34.13 ATOM 757 O VAL 49 9.229 -29.935 33.603 1.00 51.53 ATOM 758 N VAL 50 11.171 -29.461 32.569 1.00 50.31 ATOM 759 HN VAL 50 12.079 -29.759 32.358 1.00 37.19 ATOM 760 CA VAL 50 10.719 -28.139 32.104 1.00 62.23 ATOM 761 HA VAL 50 10.454 -27.559 32.979 1.00 61.31 ATOM 762 CB VAL 50 11.841 -27.385 31.346 1.00 32.30 ATOM 763 HB VAL 50 12.085 -27.949 30.456 1.00 21.15 ATOM 764 CG1 VAL 50 11.371 -25.994 30.910 1.00 74.22 ATOM 765 HG11 VAL 50 12.170 -25.492 30.383 1.00 74.53 ATOM 766 HG12 VAL 50 11.097 -25.415 31.780 1.00 64.04 ATOM 767 HG13 VAL 50 10.515 -26.090 30.258 1.00 13.54 ATOM 768 CG2 VAL 50 13.102 -27.286 32.204 1.00 40.22 ATOM 769 HG21 VAL 50 12.880 -26.747 33.115 1.00 11.11 ATOM 770 HG22 VAL 50 13.873 -26.760 31.656 1.00 25.21 ATOM 771 HG23 VAL 50 13.451 -28.278 32.450 1.00 75.30 ATOM 772 C VAL 50 9.477 -28.254 31.197 1.00 41.41 ATOM 773 O VAL 50 8.529 -27.473 31.318 1.00 33.21 ATOM 774 N LEU 51 9.481 -29.246 30.304 1.00 73.13 ATOM 775 HN LEU 51 10.261 -29.836 30.252 1.00 37.19 ATOM 776 CA LEU 51 8.340 -29.494 29.412 1.00 53.13 ATOM 777 HA LEU 51 8.142 -28.583 28.866 1.00 34.20 ATOM 778 CB LEU 51 8.671 -30.612 28.412 1.00 21.32 ATOM 779 HB1 LEU 51 7.775 -30.840 27.850 1.00 37.19 ATOM 780 HB2 LEU 51 8.953 -31.492 28.974 1.00 53.53 ATOM 781 CG LEU 51 9.795 -30.300 27.412 1.00 5.44 ATOM 782 HG LEU 51 10.697 -30.060 27.959 1.00 43.54 ATOM 783 CD1 LEU 51 10.091 -31.516 26.539 1.00 33.44 ATOM 784 HD11 LEU 51 10.859 -31.267 25.821 1.00 75.24 ATOM 785 HD12 LEU 51 9.194 -31.816 26.017 1.00 60.21 ATOM 786 HD13 LEU 51 10.433 -32.331 27.160 1.00 2.41 ATOM 787 CD2 LEU 51 9.431 -29.092 26.550 1.00 72.43 ATOM 788 HD21 LEU 51 9.255 -28.235 27.185 1.00 62.14 ATOM 789 HD22 LEU 51 8.538 -29.308 25.982 1.00 62.21 ATOM 790 HD23 LEU 51 10.244 -28.875 25.873 1.00 13.24 ATOM 791 C LEU 51 7.085 -29.873 30.213 1.00 25.40 ATOM 792 O LEU 51 5.978 -29.432 29.902 1.00 50.01 ATOM 793 N CYS 52 7.269 -30.696 31.244 1.00 44.04 ATOM 794 HN CYS 52 8.168 -31.055 31.411 1.00 37.19 ATOM 795 CA CYS 52 6.165 -31.094 32.126 1.00 2.43 ATOM 796 HA CYS 52 5.422 -31.589 31.518 1.00 53.35 ATOM 797 CB CYS 52 6.663 -32.075 33.193 1.00 53.24 ATOM 798 HB1 CYS 52 5.824 -32.406 33.791 1.00 37.19 ATOM 799 HB2 CYS 52 7.376 -31.573 33.832 1.00 25.12 ATOM 800 SG CYS 52 7.474 -33.546 32.517 1.00 25.22 ATOM 801 HG CYS 52 6.533 -34.420 32.186 1.00 43.44 ATOM 802 C CYS 52 5.517 -29.870 32.792 1.00 74.31 ATOM 803 O CYS 52 4.292 -29.767 32.869 1.00 42.11 ATOM 804 N ARG 53 6.347 -28.936 33.262 1.00 12.25 ATOM 805 HN ARG 53 7.314 -29.098 33.231 1.00 37.19 ATOM 806 CA ARG 53 5.846 -27.673 33.821 1.00 31.55 ATOM 807 HA ARG 53 5.188 -27.909 34.646 1.00 51.31 ATOM 808 CB ARG 53 7.009 -26.805 34.331 1.00 35.44 ATOM 809 HB1 ARG 53 6.600 -25.907 34.776 1.00 37.19 ATOM 810 HB2 ARG 53 7.627 -26.524 33.489 1.00 22.01 ATOM 811 CG ARG 53 7.901 -27.486 35.364 1.00 54.24 ATOM 812 HG1 ARG 53 8.372 -28.346 34.909 1.00 37.19 ATOM 813 HG2 ARG 53 7.290 -27.808 36.196 1.00 34.25 ATOM 814 CD ARG 53 8.985 -26.542 35.882 1.00 44.33 ATOM 815 HD1 ARG 53 8.512 -25.724 36.409 1.00 37.19 ATOM 816 HD2 ARG 53 9.537 -26.150 35.039 1.00 62.42 ATOM 817 NE ARG 53 9.918 -27.215 36.783 1.00 21.55 ATOM 818 HE ARG 53 10.750 -27.555 36.400 1.00 1.14 ATOM 819 CZ ARG 53 9.720 -27.379 38.064 1.00 23.30 ATOM 820 NH1 ARG 53 8.648 -26.935 38.636 1.00 40.15 ATOM 821 HH11 ARG 53 7.962 -26.453 38.105 1.00 73.53 ATOM 822 HH12 ARG 53 8.514 -27.087 39.616 1.00 71.41 ATOM 823 NH2 ARG 53 10.606 -27.985 38.780 1.00 71.31 ATOM 824 HH21 ARG 53 11.444 -28.325 38.359 1.00 25.54 ATOM 825 HH22 ARG 53 10.450 -28.107 39.759 1.00 71.53 ATOM 826 C ARG 53 5.057 -26.894 32.756 1.00 14.54 ATOM 827 O ARG 53 3.970 -26.368 33.014 1.00 51.24 ATOM 828 N LEU 54 5.626 -26.834 31.553 1.00 14.40 ATOM 829 HN LEU 54 6.505 -27.254 31.428 1.00 37.19 ATOM 830 CA LEU 54 5.000 -26.163 30.411 1.00 70.52 ATOM 831 HA LEU 54 4.921 -25.112 30.648 1.00 34.25 ATOM 832 CB LEU 54 5.896 -26.327 29.173 1.00 62.23 ATOM 833 HB1 LEU 54 6.000 -27.386 28.974 1.00 37.19 ATOM 834 HB2 LEU 54 6.874 -25.932 29.412 1.00 60.32 ATOM 835 CG LEU 54 5.403 -25.645 27.888 1.00 34.13 ATOM 836 HG LEU 54 4.431 -26.040 27.631 1.00 30.33 ATOM 837 CD1 LEU 54 5.257 -24.139 28.090 1.00 51.22 ATOM 838 HD11 LEU 54 4.554 -23.948 28.887 1.00 25.34 ATOM 839 HD12 LEU 54 4.894 -23.686 27.177 1.00 64.21 ATOM 840 HD13 LEU 54 6.216 -23.711 28.346 1.00 12.42 ATOM 841 CD2 LEU 54 6.353 -25.947 26.730 1.00 44.53 ATOM 842 HD21 LEU 54 6.380 -27.013 26.552 1.00 40.42 ATOM 843 HD22 LEU 54 7.345 -25.598 26.976 1.00 71.32 ATOM 844 HD23 LEU 54 6.006 -25.444 25.838 1.00 12.12 ATOM 845 C LEU 54 3.590 -26.716 30.132 1.00 23.14 ATOM 846 O LEU 54 2.636 -25.954 29.945 1.00 55.30 ATOM 847 N LEU 55 3.464 -28.041 30.125 1.00 52.21 ATOM 848 HN LEU 55 4.256 -28.596 30.289 1.00 37.19 ATOM 849 CA LEU 55 2.176 -28.691 29.872 1.00 11.25 ATOM 850 HA LEU 55 1.776 -28.268 28.960 1.00 15.31 ATOM 851 CB LEU 55 2.366 -30.202 29.665 1.00 1.34 ATOM 852 HB1 LEU 55 2.692 -30.633 30.602 1.00 37.19 ATOM 853 HB2 LEU 55 3.150 -30.346 28.933 1.00 52.10 ATOM 854 CG LEU 55 1.113 -30.964 29.194 1.00 11.41 ATOM 855 HG LEU 55 0.339 -30.870 29.945 1.00 65.11 ATOM 856 CD1 LEU 55 0.575 -30.372 27.891 1.00 33.41 ATOM 857 HD11 LEU 55 0.311 -29.336 28.047 1.00 4.24 ATOM 858 HD12 LEU 55 -0.301 -30.920 27.579 1.00 15.43 ATOM 859 HD13 LEU 55 1.332 -30.438 27.121 1.00 52.13 ATOM 860 CD2 LEU 55 1.420 -32.450 29.019 1.00 63.12 ATOM 861 HD21 LEU 55 0.531 -32.965 28.682 1.00 4.22 ATOM 862 HD22 LEU 55 1.737 -32.866 29.964 1.00 31.22 ATOM 863 HD23 LEU 55 2.207 -32.575 28.288 1.00 22.33 ATOM 864 C LEU 55 1.173 -28.419 31.010 1.00 53.01 ATOM 865 O LEU 55 -0.022 -28.308 30.769 1.00 72.25 ATOM 866 N GLU 56 1.666 -28.297 32.245 1.00 24.22 ATOM 867 HN GLU 56 2.624 -28.451 32.394 1.00 37.19 ATOM 868 CA GLU 56 0.807 -27.956 33.394 1.00 71.45 ATOM 869 HA GLU 56 -0.070 -28.588 33.341 1.00 42.03 ATOM 870 CB GLU 56 1.532 -28.239 34.719 1.00 0.13 ATOM 871 HB1 GLU 56 1.013 -27.729 35.519 1.00 37.19 ATOM 872 HB2 GLU 56 2.539 -27.851 34.653 1.00 34.00 ATOM 873 CG GLU 56 1.614 -29.719 35.074 1.00 4.12 ATOM 874 HG1 GLU 56 2.199 -29.828 35.978 1.00 37.19 ATOM 875 HG2 GLU 56 2.107 -30.243 34.267 1.00 1.41 ATOM 876 CD GLU 56 0.243 -30.343 35.301 1.00 32.40 ATOM 877 OE1 GLU 56 -0.275 -31.027 34.393 1.00 40.14 ATOM 878 OE2 GLU 56 -0.331 -30.145 36.395 1.00 32.15 ATOM 879 C GLU 56 0.345 -26.488 33.354 1.00 22.22 ATOM 880 O GLU 56 -0.649 -26.124 33.985 1.00 23.01 ATOM 881 N ARG 57 1.081 -25.643 32.636 1.00 23.11 ATOM 882 HN ARG 57 1.922 -25.963 32.236 1.00 37.19 ATOM 883 CA ARG 57 0.679 -24.241 32.445 1.00 21.31 ATOM 884 HA ARG 57 0.323 -23.872 33.397 1.00 4.40 ATOM 885 CB ARG 57 1.880 -23.390 32.004 1.00 74.21 ATOM 886 HB1 ARG 57 1.516 -22.463 31.578 1.00 37.19 ATOM 887 HB2 ARG 57 2.429 -23.928 31.243 1.00 31.40 ATOM 888 CG ARG 57 2.845 -23.045 33.132 1.00 14.50 ATOM 889 HG1 ARG 57 3.669 -22.473 32.726 1.00 37.19 ATOM 890 HG2 ARG 57 3.221 -23.961 33.565 1.00 13.34 ATOM 891 CD ARG 57 2.163 -22.225 34.223 1.00 20.21 ATOM 892 HD1 ARG 57 2.918 -21.855 34.902 1.00 37.19 ATOM 893 HD2 ARG 57 1.477 -22.864 34.762 1.00 42.33 ATOM 894 NE ARG 57 1.416 -21.093 33.671 1.00 3.45 ATOM 895 HE ARG 57 0.879 -21.252 32.869 1.00 54.44 ATOM 896 CZ ARG 57 1.404 -19.894 34.182 1.00 33.34 ATOM 897 NH1 ARG 57 2.108 -19.612 35.233 1.00 53.32 ATOM 898 HH11 ARG 57 2.677 -20.314 35.658 1.00 5.43 ATOM 899 HH12 ARG 57 2.073 -18.693 35.621 1.00 34.54 ATOM 900 NH2 ARG 57 0.679 -18.979 33.628 1.00 74.21 ATOM 901 HH21 ARG 57 0.137 -19.198 32.818 1.00 63.32 ATOM 902 HH22 ARG 57 0.666 -18.055 34.006 1.00 15.54 ATOM 903 C ARG 57 -0.455 -24.106 31.418 1.00 32.24 ATOM 904 O ARG 57 -1.385 -23.319 31.602 1.00 0.14 ATOM 905 N LEU 58 -0.360 -24.866 30.331 1.00 43.13 ATOM 906 HN LEU 58 0.407 -25.473 30.245 1.00 37.19 ATOM 907 CA LEU 58 -1.357 -24.815 29.254 1.00 65.22 ATOM 908 HA LEU 58 -1.748 -23.807 29.212 1.00 10.05 ATOM 909 CB LEU 58 -0.677 -25.138 27.916 1.00 21.44 ATOM 910 HB1 LEU 58 -1.407 -25.031 27.126 1.00 37.19 ATOM 911 HB2 LEU 58 -0.348 -26.169 27.942 1.00 61.41 ATOM 912 CG LEU 58 0.535 -24.249 27.576 1.00 55.44 ATOM 913 HG LEU 58 1.260 -24.322 28.376 1.00 1.40 ATOM 914 CD1 LEU 58 1.214 -24.722 26.294 1.00 53.12 ATOM 915 HD11 LEU 58 2.072 -24.098 26.089 1.00 31.42 ATOM 916 HD12 LEU 58 0.519 -24.659 25.469 1.00 31.53 ATOM 917 HD13 LEU 58 1.537 -25.746 26.414 1.00 53.02 ATOM 918 CD2 LEU 58 0.116 -22.783 27.458 1.00 13.14 ATOM 919 HD21 LEU 58 -0.621 -22.678 26.674 1.00 61.23 ATOM 920 HD22 LEU 58 0.980 -22.177 27.223 1.00 32.40 ATOM 921 HD23 LEU 58 -0.308 -22.453 28.396 1.00 71.24 ATOM 922 C LEU 58 -2.527 -25.788 29.512 1.00 20.02 ATOM 923 O LEU 58 -3.692 -25.447 29.307 1.00 0.03 ATOM 924 N LEU 59 -2.202 -26.998 29.962 1.00 42.42 ATOM 925 HN LEU 59 -1.256 -27.215 30.075 1.00 37.19 ATOM 926 CA LEU 59 -3.207 -28.026 30.292 1.00 12.04 ATOM 927 HA LEU 59 -4.184 -27.565 30.244 1.00 2.42 ATOM 928 CB LEU 59 -3.147 -29.174 29.266 1.00 41.43 ATOM 929 HB1 LEU 59 -3.831 -29.949 29.584 1.00 37.19 ATOM 930 HB2 LEU 59 -2.144 -29.582 29.272 1.00 15.13 ATOM 931 CG LEU 59 -3.499 -28.791 27.819 1.00 62.11 ATOM 932 HG LEU 59 -2.855 -27.984 27.502 1.00 2.22 ATOM 933 CD1 LEU 59 -3.269 -29.971 26.878 1.00 3.44 ATOM 934 HD11 LEU 59 -3.899 -30.798 27.175 1.00 43.43 ATOM 935 HD12 LEU 59 -2.233 -30.273 26.926 1.00 20.00 ATOM 936 HD13 LEU 59 -3.511 -29.679 25.866 1.00 71.32 ATOM 937 CD2 LEU 59 -4.945 -28.308 27.726 1.00 10.31 ATOM 938 HD21 LEU 59 -5.611 -29.098 28.041 1.00 33.01 ATOM 939 HD22 LEU 59 -5.168 -28.036 26.705 1.00 20.11 ATOM 940 HD23 LEU 59 -5.082 -27.447 28.365 1.00 74.44 ATOM 941 C LEU 59 -2.995 -28.580 31.720 1.00 1.23 ATOM 942 O LEU 59 -2.461 -29.678 31.897 1.00 75.11 ATOM 943 N PRO 60 -3.407 -27.818 32.758 1.00 1.12 ATOM 944 CA PRO 60 -3.195 -28.202 34.172 1.00 20.35 ATOM 945 HA PRO 60 -2.140 -28.254 34.403 1.00 1.42 ATOM 946 CB PRO 60 -3.830 -27.041 34.961 1.00 33.52 ATOM 947 HB1 PRO 60 -3.212 -26.800 35.815 1.00 37.19 ATOM 948 HB2 PRO 60 -4.819 -27.323 35.298 1.00 14.30 ATOM 949 CG PRO 60 -3.888 -25.903 33.995 1.00 62.11 ATOM 950 HG1 PRO 60 -2.954 -25.357 34.012 1.00 37.19 ATOM 951 HG2 PRO 60 -4.710 -25.246 34.245 1.00 53.22 ATOM 952 CD PRO 60 -4.106 -26.525 32.644 1.00 12.10 ATOM 953 HD1 PRO 60 -3.667 -25.913 31.868 1.00 37.19 ATOM 954 HD2 PRO 60 -5.161 -26.672 32.458 1.00 44.15 ATOM 955 C PRO 60 -3.859 -29.536 34.556 1.00 13.44 ATOM 956 O PRO 60 -5.082 -29.688 34.461 1.00 74.21 ATOM 957 N GLY 61 -3.050 -30.494 35.007 1.00 44.22 ATOM 958 HN GLY 61 -2.083 -30.323 35.051 1.00 37.19 ATOM 959 CA GLY 61 -3.570 -31.789 35.436 1.00 13.22 ATOM 960 HA1 GLY 61 -4.640 -31.711 35.577 1.00 37.19 ATOM 961 HA2 GLY 61 -3.118 -32.045 36.382 1.00 55.34 ATOM 962 C GLY 61 -3.287 -32.913 34.446 1.00 74.21 ATOM 963 O GLY 61 -3.532 -34.089 34.740 1.00 51.32 ATOM 964 N THR 62 -2.758 -32.560 33.277 1.00 44.45 ATOM 965 HN THR 62 -2.549 -31.613 33.116 1.00 37.19 ATOM 966 CA THR 62 -2.474 -33.545 32.224 1.00 61.31 ATOM 967 HA THR 62 -3.337 -34.194 32.138 1.00 64.12 ATOM 968 CB THR 62 -2.254 -32.853 30.857 1.00 41.41 ATOM 969 HB THR 62 -1.368 -32.239 30.919 1.00 61.44 ATOM 970 OG1 THR 62 -3.378 -32.016 30.552 1.00 4.13 ATOM 971 HG1 THR 62 -3.204 -31.123 30.872 1.00 13.34 ATOM 972 CG2 THR 62 -2.066 -33.871 29.736 1.00 14.05 ATOM 973 HG21 THR 62 -1.948 -33.354 28.795 1.00 61.45 ATOM 974 HG22 THR 62 -2.930 -34.519 29.684 1.00 62.14 ATOM 975 HG23 THR 62 -1.184 -34.464 29.929 1.00 52.24 ATOM 976 C THR 62 -1.247 -34.400 32.568 1.00 33.14 ATOM 977 O THR 62 -1.179 -35.582 32.214 1.00 55.43 ATOM 978 N ILE 63 -0.280 -33.800 33.264 1.00 45.12 ATOM 979 HN ILE 63 -0.361 -32.842 33.469 1.00 37.19 ATOM 980 CA ILE 63 0.897 -34.533 33.740 1.00 1.13 ATOM 981 HA ILE 63 1.315 -35.069 32.898 1.00 40.35 ATOM 982 CB ILE 63 1.985 -33.574 34.296 1.00 72.42 ATOM 983 HB ILE 63 1.539 -32.990 35.090 1.00 55.12 ATOM 984 CG1 ILE 63 2.479 -32.619 33.195 1.00 35.52 ATOM 985 HG11 ILE 63 3.204 -31.937 33.618 1.00 37.19 ATOM 986 HG12 ILE 63 1.641 -32.051 32.818 1.00 43.23 ATOM 987 CG2 ILE 63 3.156 -34.360 34.894 1.00 1.23 ATOM 988 HG21 ILE 63 2.806 -34.955 35.726 1.00 42.42 ATOM 989 HG22 ILE 63 3.915 -33.673 35.239 1.00 64.32 ATOM 990 HG23 ILE 63 3.577 -35.011 34.141 1.00 71.41 ATOM 991 CD1 ILE 63 3.129 -33.316 32.018 1.00 73.23 ATOM 992 HD11 ILE 63 3.443 -32.579 31.294 1.00 73.45 ATOM 993 HD12 ILE 63 2.420 -33.991 31.560 1.00 4.11 ATOM 994 HD13 ILE 63 3.989 -33.874 32.359 1.00 60.42 ATOM 995 C ILE 63 0.499 -35.545 34.826 1.00 71.20 ATOM 996 O ILE 63 0.161 -35.165 35.954 1.00 61.32 ATOM 997 N GLU 64 0.531 -36.830 34.478 1.00 63.12 ATOM 998 HN GLU 64 0.833 -37.067 33.574 1.00 37.19 ATOM 999 CA GLU 64 0.141 -37.900 35.403 1.00 65.15 ATOM 1000 HA GLU 64 -0.791 -37.608 35.870 1.00 4.21 ATOM 1001 CB GLU 64 -0.082 -39.208 34.627 1.00 35.10 ATOM 1002 HB1 GLU 64 0.864 -39.533 34.217 1.00 37.19 ATOM 1003 HB2 GLU 64 -0.765 -39.012 33.811 1.00 35.23 ATOM 1004 CG GLU 64 -0.658 -40.348 35.466 1.00 40.12 ATOM 1005 HG1 GLU 64 -1.518 -39.980 36.008 1.00 37.19 ATOM 1006 HG2 GLU 64 0.095 -40.676 36.169 1.00 53.41 ATOM 1007 CD GLU 64 -1.084 -41.538 34.618 1.00 52.31 ATOM 1008 OE1 GLU 64 -0.229 -42.390 34.300 1.00 51.55 ATOM 1009 OE2 GLU 64 -2.278 -41.616 34.249 1.00 63.50 ATOM 1010 C GLU 64 1.202 -38.080 36.502 1.00 2.43 ATOM 1011 O GLU 64 0.877 -38.133 37.693 1.00 41.53 ATOM 1012 N LYS 65 2.469 -38.161 36.094 1.00 5.43 ATOM 1013 HN LYS 65 2.655 -38.231 35.129 1.00 37.19 ATOM 1014 CA LYS 65 3.596 -38.151 37.035 1.00 63.01 ATOM 1015 HA LYS 65 3.352 -37.455 37.826 1.00 51.53 ATOM 1016 CB LYS 65 3.837 -39.538 37.659 1.00 15.20 ATOM 1017 HB1 LYS 65 3.919 -40.272 36.869 1.00 37.19 ATOM 1018 HB2 LYS 65 2.995 -39.790 38.288 1.00 62.12 ATOM 1019 CG LYS 65 5.112 -39.594 38.506 1.00 44.45 ATOM 1020 HG1 LYS 65 5.066 -38.810 39.250 1.00 37.19 ATOM 1021 HG2 LYS 65 5.964 -39.423 37.863 1.00 64.34 ATOM 1022 CD LYS 65 5.299 -40.933 39.214 1.00 53.44 ATOM 1023 HD1 LYS 65 5.219 -41.731 38.487 1.00 37.19 ATOM 1024 HD2 LYS 65 4.525 -41.046 39.960 1.00 24.54 ATOM 1025 CE LYS 65 6.666 -41.017 39.899 1.00 23.53 ATOM 1026 HE1 LYS 65 7.437 -40.965 39.142 1.00 37.19 ATOM 1027 HE2 LYS 65 6.737 -41.963 40.415 1.00 33.03 ATOM 1028 NZ LYS 65 6.881 -39.918 40.884 1.00 2.30 ATOM 1029 HZ1 LYS 65 6.641 -38.998 40.461 1.00 61.43 ATOM 1030 HZ2 LYS 65 7.878 -39.895 41.182 1.00 2.04 ATOM 1031 HZ3 LYS 65 6.289 -40.065 41.727 1.00 42.30 ATOM 1032 C LYS 65 4.883 -37.673 36.354 1.00 33.45 ATOM 1033 O LYS 65 5.258 -38.164 35.292 1.00 23.05 ATOM 1034 N VAL 66 5.556 -36.711 36.976 1.00 51.01 ATOM 1035 HN VAL 66 5.171 -36.310 37.782 1.00 37.19 ATOM 1036 CA VAL 66 6.856 -36.234 36.498 1.00 32.12 ATOM 1037 HA VAL 66 7.088 -36.753 35.576 1.00 73.33 ATOM 1038 CB VAL 66 6.828 -34.709 36.205 1.00 2.15 ATOM 1039 HB VAL 66 6.078 -34.527 35.446 1.00 34.14 ATOM 1040 CG1 VAL 66 6.435 -33.922 37.453 1.00 75.30 ATOM 1041 HG11 VAL 66 7.156 -34.102 38.237 1.00 24.40 ATOM 1042 HG12 VAL 66 5.458 -34.239 37.784 1.00 60.04 ATOM 1043 HG13 VAL 66 6.409 -32.866 37.223 1.00 13.33 ATOM 1044 CG2 VAL 66 8.177 -34.232 35.661 1.00 53.04 ATOM 1045 HG21 VAL 66 8.415 -34.778 34.760 1.00 51.03 ATOM 1046 HG22 VAL 66 8.948 -34.402 36.399 1.00 40.32 ATOM 1047 HG23 VAL 66 8.122 -33.176 35.436 1.00 73.15 ATOM 1048 C VAL 66 7.955 -36.535 37.526 1.00 14.21 ATOM 1049 O VAL 66 7.715 -36.507 38.734 1.00 65.34 ATOM 1050 N TYR 67 9.149 -36.852 37.041 1.00 32.34 ATOM 1051 HN TYR 67 9.256 -36.953 36.072 1.00 37.19 ATOM 1052 CA TYR 67 10.310 -37.063 37.907 1.00 23.21 ATOM 1053 HA TYR 67 9.955 -37.381 38.878 1.00 35.11 ATOM 1054 CB TYR 67 11.218 -38.158 37.322 1.00 23.41 ATOM 1055 HB1 TYR 67 12.041 -38.335 38.003 1.00 37.19 ATOM 1056 HB2 TYR 67 11.614 -37.816 36.375 1.00 3.41 ATOM 1057 CG TYR 67 10.516 -39.487 37.078 1.00 64.02 ATOM 1058 CD1 TYR 67 9.752 -39.690 35.933 1.00 3.41 ATOM 1059 HD1 TYR 67 9.656 -38.886 35.219 1.00 31.10 ATOM 1060 CD2 TYR 67 10.622 -40.539 37.983 1.00 14.05 ATOM 1061 HD2 TYR 67 11.208 -40.402 38.879 1.00 53.13 ATOM 1062 CE1 TYR 67 9.119 -40.894 35.697 1.00 12.13 ATOM 1063 HE1 TYR 67 8.533 -41.029 34.799 1.00 12.23 ATOM 1064 CE2 TYR 67 9.991 -41.747 37.754 1.00 3.22 ATOM 1065 HE2 TYR 67 10.087 -42.551 38.469 1.00 52.35 ATOM 1066 CZ TYR 67 9.240 -41.919 36.610 1.00 24.23 ATOM 1067 OH TYR 67 8.615 -43.124 36.373 1.00 1.21 ATOM 1068 HH TYR 67 8.268 -43.475 37.204 1.00 21.10 ATOM 1069 C TYR 67 11.104 -35.752 38.065 1.00 55.31 ATOM 1070 O TYR 67 11.891 -35.391 37.187 1.00 32.13 ATOM 1071 N PRO 68 10.906 -35.014 39.181 1.00 1.41 ATOM 1072 CA PRO 68 11.582 -33.723 39.409 1.00 1.12 ATOM 1073 HA PRO 68 11.505 -33.076 38.546 1.00 50.11 ATOM 1074 CB PRO 68 10.791 -33.123 40.579 1.00 10.41 ATOM 1075 HB1 PRO 68 9.970 -32.534 40.198 1.00 37.19 ATOM 1076 HB2 PRO 68 11.438 -32.499 41.182 1.00 44.45 ATOM 1077 CG PRO 68 10.303 -34.310 41.341 1.00 13.44 ATOM 1078 HG1 PRO 68 9.398 -34.057 41.877 1.00 37.19 ATOM 1079 HG2 PRO 68 11.066 -34.643 42.033 1.00 4.44 ATOM 1080 CD PRO 68 10.022 -35.378 40.312 1.00 60.20 ATOM 1081 HD1 PRO 68 8.984 -35.349 40.012 1.00 37.19 ATOM 1082 HD2 PRO 68 10.275 -36.354 40.701 1.00 23.23 ATOM 1083 C PRO 68 13.061 -33.897 39.784 1.00 2.42 ATOM 1084 O PRO 68 13.816 -32.929 39.869 1.00 11.32 ATOM 1085 N GLU 69 13.460 -35.146 39.990 1.00 51.34 ATOM 1086 HN GLU 69 12.812 -35.869 39.875 1.00 37.19 ATOM 1087 CA GLU 69 14.829 -35.485 40.379 1.00 44.13 ATOM 1088 HA GLU 69 15.455 -34.620 40.205 1.00 42.23 ATOM 1089 CB GLU 69 14.855 -35.829 41.875 1.00 75.14 ATOM 1090 HB1 GLU 69 14.674 -34.928 42.444 1.00 37.19 ATOM 1091 HB2 GLU 69 15.832 -36.214 42.130 1.00 61.25 ATOM 1092 CG GLU 69 13.806 -36.866 42.273 1.00 23.22 ATOM 1093 HG1 GLU 69 13.944 -37.748 41.661 1.00 37.19 ATOM 1094 HG2 GLU 69 12.823 -36.456 42.084 1.00 24.22 ATOM 1095 CD GLU 69 13.889 -37.268 43.732 1.00 51.22 ATOM 1096 OE1 GLU 69 14.705 -38.154 44.061 1.00 62.31 ATOM 1097 OE2 GLU 69 13.131 -36.713 44.558 1.00 12.04 ATOM 1098 C GLU 69 15.368 -36.666 39.546 1.00 32.25 ATOM 1099 O GLU 69 15.708 -37.722 40.093 1.00 3.42 ATOM 1100 N PRO 70 15.469 -36.504 38.208 1.00 40.02 ATOM 1101 CA PRO 70 15.907 -37.589 37.315 1.00 32.51 ATOM 1102 HA PRO 70 15.223 -38.427 37.360 1.00 15.52 ATOM 1103 CB PRO 70 15.852 -36.957 35.912 1.00 51.20 ATOM 1104 HB1 PRO 70 14.938 -37.255 35.416 1.00 37.19 ATOM 1105 HB2 PRO 70 16.702 -37.282 35.328 1.00 65.00 ATOM 1106 CG PRO 70 15.884 -35.482 36.151 1.00 31.12 ATOM 1107 HG1 PRO 70 15.360 -34.969 35.357 1.00 37.19 ATOM 1108 HG2 PRO 70 16.909 -35.140 36.207 1.00 32.34 ATOM 1109 CD PRO 70 15.185 -35.262 37.466 1.00 21.44 ATOM 1110 HD1 PRO 70 14.122 -35.137 37.318 1.00 37.19 ATOM 1111 HD2 PRO 70 15.599 -34.403 37.977 1.00 3.13 ATOM 1112 C PRO 70 17.323 -38.081 37.648 1.00 14.34 ATOM 1113 O PRO 70 18.320 -37.423 37.335 1.00 61.34 ATOM 1114 N ARG 71 17.399 -39.228 38.314 1.00 25.32 ATOM 1115 HN ARG 71 16.566 -39.706 38.532 1.00 37.19 ATOM 1116 CA ARG 71 18.677 -39.803 38.740 1.00 74.51 ATOM 1117 HA ARG 71 19.306 -38.994 39.085 1.00 13.21 ATOM 1118 CB ARG 71 18.444 -40.785 39.900 1.00 71.03 ATOM 1119 HB1 ARG 71 17.879 -41.628 39.531 1.00 37.19 ATOM 1120 HB2 ARG 71 17.863 -40.288 40.665 1.00 13.45 ATOM 1121 CG ARG 71 19.720 -41.316 40.546 1.00 24.02 ATOM 1122 HG1 ARG 71 20.309 -41.827 39.796 1.00 37.19 ATOM 1123 HG2 ARG 71 19.452 -42.013 41.328 1.00 14.00 ATOM 1124 CD ARG 71 20.554 -40.194 41.155 1.00 1.51 ATOM 1125 HD1 ARG 71 19.923 -39.604 41.805 1.00 37.19 ATOM 1126 HD2 ARG 71 20.933 -39.568 40.358 1.00 34.33 ATOM 1127 NE ARG 71 21.682 -40.709 41.927 1.00 50.41 ATOM 1128 HE ARG 71 22.008 -41.607 41.708 1.00 62.11 ATOM 1129 CZ ARG 71 22.255 -40.067 42.905 1.00 73.23 ATOM 1130 NH1 ARG 71 21.884 -38.867 43.214 1.00 31.43 ATOM 1131 HH11 ARG 71 21.150 -38.426 42.705 1.00 33.03 ATOM 1132 HH12 ARG 71 22.331 -38.386 43.965 1.00 60.43 ATOM 1133 NH2 ARG 71 23.213 -40.626 43.566 1.00 2.25 ATOM 1134 HH21 ARG 71 23.509 -41.553 43.331 1.00 15.22 ATOM 1135 HH22 ARG 71 23.642 -40.141 44.323 1.00 64.24 ATOM 1136 C ARG 71 19.383 -40.521 37.578 1.00 13.33 ATOM 1137 O ARG 71 20.607 -40.680 37.583 1.00 44.53 ATOM 1138 N SER 72 18.609 -40.966 36.588 1.00 52.04 ATOM 1139 HN SER 72 17.636 -40.829 36.642 1.00 37.19 ATOM 1140 CA SER 72 19.174 -41.667 35.424 1.00 0.12 ATOM 1141 HA SER 72 20.178 -41.290 35.274 1.00 52.30 ATOM 1142 CB SER 72 19.262 -43.178 35.695 1.00 1.44 ATOM 1143 HB1 SER 72 19.621 -43.682 34.808 1.00 37.19 ATOM 1144 HB2 SER 72 18.285 -43.558 35.950 1.00 23.52 ATOM 1145 OG SER 72 20.148 -43.455 36.772 1.00 42.05 ATOM 1146 HG SER 72 20.557 -42.631 37.070 1.00 75.24 ATOM 1147 C SER 72 18.375 -41.407 34.138 1.00 51.51 ATOM 1148 O SER 72 17.313 -40.782 34.159 1.00 45.02 ATOM 1149 N GLU 73 18.910 -41.912 33.024 1.00 25.33 ATOM 1150 HN GLU 73 19.714 -42.464 33.105 1.00 37.19 ATOM 1151 CA GLU 73 18.360 -41.678 31.678 1.00 4.34 ATOM 1152 HA GLU 73 18.506 -40.635 31.440 1.00 32.34 ATOM 1153 CB GLU 73 19.140 -42.527 30.664 1.00 62.05 ATOM 1154 HB1 GLU 73 19.072 -43.566 30.957 1.00 37.19 ATOM 1155 HB2 GLU 73 20.180 -42.228 30.689 1.00 35.42 ATOM 1156 CG GLU 73 18.647 -42.405 29.227 1.00 32.21 ATOM 1157 HG1 GLU 73 18.835 -41.400 28.878 1.00 37.19 ATOM 1158 HG2 GLU 73 17.582 -42.596 29.206 1.00 34.40 ATOM 1159 CD GLU 73 19.341 -43.383 28.295 1.00 43.25 ATOM 1160 OE1 GLU 73 20.503 -43.136 27.921 1.00 3.52 ATOM 1161 OE2 GLU 73 18.731 -44.413 27.939 1.00 4.22 ATOM 1162 C GLU 73 16.859 -42.005 31.570 1.00 25.12 ATOM 1163 O GLU 73 16.078 -41.205 31.046 1.00 71.43 ATOM 1164 N SER 74 16.463 -43.181 32.065 1.00 74.52 ATOM 1165 HN SER 74 17.117 -43.741 32.537 1.00 37.19 ATOM 1166 CA SER 74 15.075 -43.662 31.925 1.00 32.43 ATOM 1167 HA SER 74 14.897 -43.831 30.872 1.00 65.21 ATOM 1168 CB SER 74 14.882 -44.990 32.669 1.00 42.33 ATOM 1169 HB1 SER 74 15.058 -44.838 33.725 1.00 37.19 ATOM 1170 HB2 SER 74 15.586 -45.719 32.291 1.00 43.02 ATOM 1171 OG SER 74 13.566 -45.496 32.496 1.00 3.20 ATOM 1172 HG SER 74 13.583 -46.460 32.578 1.00 72.22 ATOM 1173 C SER 74 14.055 -42.630 32.430 1.00 13.45 ATOM 1174 O SER 74 13.056 -42.358 31.762 1.00 40.04 ATOM 1175 N GLU 75 14.311 -42.054 33.605 1.00 53.33 ATOM 1176 HN GLU 75 15.103 -42.338 34.113 1.00 37.19 ATOM 1177 CA GLU 75 13.435 -41.012 34.168 1.00 54.01 ATOM 1178 HA GLU 75 12.448 -41.441 34.283 1.00 41.01 ATOM 1179 CB GLU 75 13.946 -40.573 35.548 1.00 53.31 ATOM 1180 HB1 GLU 75 13.349 -39.740 35.895 1.00 37.19 ATOM 1181 HB2 GLU 75 14.972 -40.253 35.454 1.00 62.44 ATOM 1182 CG GLU 75 13.884 -41.672 36.602 1.00 23.45 ATOM 1183 HG1 GLU 75 14.334 -42.568 36.196 1.00 37.19 ATOM 1184 HG2 GLU 75 12.846 -41.873 36.836 1.00 64.44 ATOM 1185 CD GLU 75 14.609 -41.301 37.884 1.00 30.52 ATOM 1186 OE1 GLU 75 13.948 -40.862 38.850 1.00 44.44 ATOM 1187 OE2 GLU 75 15.849 -41.446 37.925 1.00 2.01 ATOM 1188 C GLU 75 13.335 -39.795 33.234 1.00 10.41 ATOM 1189 O GLU 75 12.242 -39.291 32.973 1.00 13.53 ATOM 1190 N CYS 76 14.480 -39.335 32.727 1.00 33.21 ATOM 1191 HN CYS 76 15.324 -39.767 32.989 1.00 37.19 ATOM 1192 CA CYS 76 14.520 -38.199 31.793 1.00 11.23 ATOM 1193 HA CYS 76 14.149 -37.328 32.313 1.00 41.35 ATOM 1194 CB CYS 76 15.961 -37.932 31.342 1.00 1.24 ATOM 1195 HB1 CYS 76 15.980 -37.051 30.716 1.00 37.19 ATOM 1196 HB2 CYS 76 16.318 -38.779 30.775 1.00 61.43 ATOM 1197 SG CYS 76 17.123 -37.660 32.700 1.00 65.13 ATOM 1198 HG CYS 76 17.338 -36.354 32.802 1.00 35.40 ATOM 1199 C CYS 76 13.634 -38.459 30.564 1.00 42.14 ATOM 1200 O CYS 76 12.770 -37.648 30.219 1.00 63.21 ATOM 1201 N LEU 77 13.848 -39.606 29.917 1.00 64.31 ATOM 1202 HN LEU 77 14.562 -40.204 30.235 1.00 37.19 ATOM 1203 CA LEU 77 13.055 -40.003 28.745 1.00 43.01 ATOM 1204 HA LEU 77 13.171 -39.233 27.994 1.00 14.02 ATOM 1205 CB LEU 77 13.575 -41.335 28.178 1.00 52.12 ATOM 1206 HB1 LEU 77 12.923 -41.634 27.368 1.00 37.19 ATOM 1207 HB2 LEU 77 13.513 -42.082 28.959 1.00 61.22 ATOM 1208 CG LEU 77 15.019 -41.311 27.646 1.00 34.03 ATOM 1209 HG LEU 77 15.685 -41.013 28.445 1.00 41.11 ATOM 1210 CD1 LEU 77 15.448 -42.700 27.178 1.00 31.45 ATOM 1211 HD11 LEU 77 14.787 -43.038 26.392 1.00 42.30 ATOM 1212 HD12 LEU 77 15.402 -43.392 28.007 1.00 53.31 ATOM 1213 HD13 LEU 77 16.461 -42.659 26.803 1.00 70.11 ATOM 1214 CD2 LEU 77 15.159 -40.293 26.515 1.00 42.50 ATOM 1215 HD21 LEU 77 14.914 -39.307 26.883 1.00 1.11 ATOM 1216 HD22 LEU 77 14.487 -40.552 25.709 1.00 61.42 ATOM 1217 HD23 LEU 77 16.175 -40.297 26.149 1.00 73.31 ATOM 1218 C LEU 77 11.563 -40.132 29.093 1.00 15.21 ATOM 1219 O LEU 77 10.691 -39.798 28.284 1.00 13.12 ATOM 1220 N SER 78 11.277 -40.621 30.299 1.00 74.10 ATOM 1221 HN SER 78 12.015 -40.889 30.888 1.00 37.19 ATOM 1222 CA SER 78 9.893 -40.777 30.769 1.00 62.11 ATOM 1223 HA SER 78 9.365 -41.372 30.034 1.00 0.22 ATOM 1224 CB SER 78 9.857 -41.516 32.116 1.00 53.32 ATOM 1225 HB1 SER 78 8.831 -41.631 32.438 1.00 37.19 ATOM 1226 HB2 SER 78 10.403 -40.945 32.853 1.00 21.05 ATOM 1227 OG SER 78 10.447 -42.807 32.009 1.00 22.53 ATOM 1228 HG SER 78 11.336 -42.781 32.390 1.00 0.24 ATOM 1229 C SER 78 9.189 -39.420 30.894 1.00 43.51 ATOM 1230 O SER 78 8.037 -39.274 30.484 1.00 22.42 ATOM 1231 N ASN 79 9.892 -38.428 31.449 1.00 62.15 ATOM 1232 HN ASN 79 10.788 -38.619 31.800 1.00 37.19 ATOM 1233 CA ASN 79 9.359 -37.060 31.556 1.00 22.54 ATOM 1234 HA ASN 79 8.468 -37.098 32.169 1.00 73.12 ATOM 1235 CB ASN 79 10.385 -36.132 32.225 1.00 43.44 ATOM 1236 HB1 ASN 79 10.009 -35.119 32.211 1.00 37.19 ATOM 1237 HB2 ASN 79 11.313 -36.173 31.672 1.00 42.24 ATOM 1238 CG ASN 79 10.669 -36.518 33.664 1.00 4.24 ATOM 1239 OD1 ASN 79 9.821 -37.073 34.345 1.00 35.21 ATOM 1240 ND2 ASN 79 11.857 -36.213 34.145 1.00 62.12 ATOM 1241 HD21 ASN 79 12.491 -35.758 33.556 1.00 70.53 ATOM 1242 HD22 ASN 79 12.052 -36.454 35.072 1.00 2.41 ATOM 1243 C ASN 79 8.982 -36.506 30.174 1.00 44.53 ATOM 1244 O ASN 79 7.917 -35.909 29.996 1.00 73.34 ATOM 1245 N ILE 80 9.864 -36.713 29.197 1.00 55.31 ATOM 1246 HN ILE 80 10.715 -37.158 29.408 1.00 37.19 ATOM 1247 CA ILE 80 9.599 -36.288 27.821 1.00 13.02 ATOM 1248 HA ILE 80 9.389 -35.226 27.839 1.00 4.01 ATOM 1249 CB ILE 80 10.829 -36.522 26.905 1.00 55.33 ATOM 1250 HB ILE 80 11.002 -37.588 26.838 1.00 25.52 ATOM 1251 CG1 ILE 80 12.077 -35.848 27.503 1.00 10.01 ATOM 1252 HG11 ILE 80 12.242 -36.229 28.502 1.00 37.19 ATOM 1253 HG12 ILE 80 11.913 -34.782 27.555 1.00 15.43 ATOM 1254 CG2 ILE 80 10.555 -35.994 25.493 1.00 2.42 ATOM 1255 HG21 ILE 80 10.335 -34.936 25.535 1.00 10.02 ATOM 1256 HG22 ILE 80 9.711 -36.519 25.068 1.00 44.12 ATOM 1257 HG23 ILE 80 11.424 -36.156 24.872 1.00 15.40 ATOM 1258 CD1 ILE 80 13.344 -36.081 26.702 1.00 5.23 ATOM 1259 HD11 ILE 80 13.548 -37.140 26.647 1.00 13.04 ATOM 1260 HD12 ILE 80 14.171 -35.579 27.183 1.00 32.44 ATOM 1261 HD13 ILE 80 13.218 -35.688 25.703 1.00 34.24 ATOM 1262 C ILE 80 8.376 -37.024 27.242 1.00 32.23 ATOM 1263 O ILE 80 7.509 -36.410 26.626 1.00 21.34 ATOM 1264 N ARG 81 8.307 -38.342 27.457 1.00 42.53 ATOM 1265 HN ARG 81 9.041 -38.783 27.936 1.00 37.19 ATOM 1266 CA ARG 81 7.163 -39.150 26.994 1.00 22.31 ATOM 1267 HA ARG 81 7.077 -39.005 25.926 1.00 13.42 ATOM 1268 CB ARG 81 7.412 -40.641 27.267 1.00 2.12 ATOM 1269 HB1 ARG 81 6.488 -41.183 27.121 1.00 37.19 ATOM 1270 HB2 ARG 81 7.730 -40.759 28.294 1.00 64.21 ATOM 1271 CG ARG 81 8.475 -41.261 26.365 1.00 5.53 ATOM 1272 HG1 ARG 81 9.413 -40.749 26.527 1.00 37.19 ATOM 1273 HG2 ARG 81 8.173 -41.139 25.333 1.00 12.21 ATOM 1274 CD ARG 81 8.667 -42.751 26.647 1.00 43.33 ATOM 1275 HD1 ARG 81 9.352 -43.157 25.913 1.00 37.19 ATOM 1276 HD2 ARG 81 7.711 -43.249 26.556 1.00 63.21 ATOM 1277 NE ARG 81 9.201 -42.998 27.989 1.00 14.20 ATOM 1278 HE ARG 81 8.754 -42.563 28.744 1.00 50.44 ATOM 1279 CZ ARG 81 10.243 -43.750 28.237 1.00 4.45 ATOM 1280 NH1 ARG 81 10.813 -44.416 27.285 1.00 55.10 ATOM 1281 HH11 ARG 81 10.459 -44.365 26.358 1.00 71.42 ATOM 1282 HH12 ARG 81 11.611 -44.984 27.487 1.00 44.10 ATOM 1283 NH2 ARG 81 10.689 -43.868 29.447 1.00 73.11 ATOM 1284 HH21 ARG 81 10.240 -43.388 30.198 1.00 72.32 ATOM 1285 HH22 ARG 81 11.492 -44.436 29.623 1.00 22.00 ATOM 1286 C ARG 81 5.842 -38.703 27.648 1.00 2.54 ATOM 1287 O ARG 81 4.791 -38.716 27.010 1.00 41.22 ATOM 1288 N GLU 82 5.907 -38.325 28.922 1.00 64.23 ATOM 1289 HN GLU 82 6.756 -38.430 29.401 1.00 37.19 ATOM 1290 CA GLU 82 4.755 -37.762 29.641 1.00 40.32 ATOM 1291 HA GLU 82 3.979 -38.515 29.675 1.00 1.35 ATOM 1292 CB GLU 82 5.190 -37.418 31.078 1.00 45.33 ATOM 1293 HB1 GLU 82 6.097 -36.831 31.028 1.00 37.19 ATOM 1294 HB2 GLU 82 5.407 -38.338 31.599 1.00 32.15 ATOM 1295 CG GLU 82 4.173 -36.642 31.908 1.00 60.34 ATOM 1296 HG1 GLU 82 3.939 -35.721 31.391 1.00 37.19 ATOM 1297 HG2 GLU 82 4.621 -36.406 32.859 1.00 33.14 ATOM 1298 CD GLU 82 2.881 -37.398 32.169 1.00 43.10 ATOM 1299 OE1 GLU 82 2.928 -38.502 32.745 1.00 42.12 ATOM 1300 OE2 GLU 82 1.804 -36.882 31.819 1.00 15.22 ATOM 1301 C GLU 82 4.215 -36.518 28.908 1.00 64.13 ATOM 1302 O GLU 82 3.026 -36.435 28.576 1.00 24.04 ATOM 1303 N PHE 83 5.110 -35.571 28.634 1.00 5.05 ATOM 1304 HN PHE 83 6.028 -35.680 28.964 1.00 37.19 ATOM 1305 CA PHE 83 4.772 -34.368 27.862 1.00 4.31 ATOM 1306 HA PHE 83 4.017 -33.825 28.411 1.00 64.33 ATOM 1307 CB PHE 83 6.022 -33.487 27.723 1.00 54.12 ATOM 1308 HB1 PHE 83 6.826 -34.083 27.311 1.00 37.19 ATOM 1309 HB2 PHE 83 6.315 -33.139 28.704 1.00 15.20 ATOM 1310 CG PHE 83 5.841 -32.274 26.839 1.00 2.12 ATOM 1311 CD1 PHE 83 6.362 -32.248 25.549 1.00 54.42 ATOM 1312 HD1 PHE 83 6.900 -33.109 25.175 1.00 11.31 ATOM 1313 CD2 PHE 83 5.155 -31.160 27.300 1.00 25.24 ATOM 1314 HD2 PHE 83 4.744 -31.166 28.299 1.00 55.45 ATOM 1315 CE1 PHE 83 6.201 -31.136 24.742 1.00 22.33 ATOM 1316 HE1 PHE 83 6.611 -31.129 23.742 1.00 20.31 ATOM 1317 CE2 PHE 83 4.991 -30.047 26.496 1.00 1.13 ATOM 1318 HE2 PHE 83 4.455 -29.185 26.869 1.00 32.32 ATOM 1319 CZ PHE 83 5.515 -30.035 25.217 1.00 53.32 ATOM 1320 HZ PHE 83 5.387 -29.164 24.587 1.00 63.45 ATOM 1321 C PHE 83 4.216 -34.729 26.470 1.00 62.15 ATOM 1322 O PHE 83 3.180 -34.210 26.043 1.00 51.03 ATOM 1323 N LEU 84 4.916 -35.625 25.772 1.00 3.11 ATOM 1324 HN LEU 84 5.735 -35.995 26.165 1.00 37.19 ATOM 1325 CA LEU 84 4.505 -36.073 24.434 1.00 70.45 ATOM 1326 HA LEU 84 4.468 -35.202 23.794 1.00 71.32 ATOM 1327 CB LEU 84 5.533 -37.061 23.865 1.00 63.54 ATOM 1328 HB1 LEU 84 5.149 -37.453 22.933 1.00 37.19 ATOM 1329 HB2 LEU 84 5.633 -37.881 24.564 1.00 53.25 ATOM 1330 CG LEU 84 6.930 -36.479 23.601 1.00 12.54 ATOM 1331 HG LEU 84 7.304 -36.035 24.513 1.00 30.42 ATOM 1332 CD1 LEU 84 7.905 -37.580 23.185 1.00 51.44 ATOM 1333 HD11 LEU 84 7.556 -38.052 22.277 1.00 52.52 ATOM 1334 HD12 LEU 84 7.968 -38.319 23.971 1.00 53.13 ATOM 1335 HD13 LEU 84 8.883 -37.154 23.016 1.00 42.51 ATOM 1336 CD2 LEU 84 6.863 -35.384 22.537 1.00 75.14 ATOM 1337 HD21 LEU 84 6.205 -34.594 22.872 1.00 44.45 ATOM 1338 HD22 LEU 84 6.484 -35.798 21.613 1.00 21.22 ATOM 1339 HD23 LEU 84 7.851 -34.980 22.370 1.00 31.10 ATOM 1340 C LEU 84 3.115 -36.724 24.455 1.00 73.22 ATOM 1341 O LEU 84 2.324 -36.548 23.525 1.00 61.24 ATOM 1342 N ARG 85 2.822 -37.471 25.520 1.00 41.24 ATOM 1343 HN ARG 85 3.495 -37.584 26.222 1.00 37.19 ATOM 1344 CA ARG 85 1.520 -38.126 25.668 1.00 61.44 ATOM 1345 HA ARG 85 1.371 -38.773 24.813 1.00 0.23 ATOM 1346 CB ARG 85 1.470 -38.969 26.952 1.00 74.04 ATOM 1347 HB1 ARG 85 1.322 -38.307 27.795 1.00 37.19 ATOM 1348 HB2 ARG 85 2.415 -39.482 27.077 1.00 5.11 ATOM 1349 CG ARG 85 0.344 -40.008 26.955 1.00 71.53 ATOM 1350 HG1 ARG 85 0.647 -40.855 26.351 1.00 37.19 ATOM 1351 HG2 ARG 85 -0.544 -39.564 26.527 1.00 3.52 ATOM 1352 CD ARG 85 0.018 -40.495 28.362 1.00 42.42 ATOM 1353 HD1 ARG 85 0.918 -40.884 28.819 1.00 37.19 ATOM 1354 HD2 ARG 85 -0.723 -41.279 28.297 1.00 71.55 ATOM 1355 NE ARG 85 -0.513 -39.411 29.185 1.00 13.25 ATOM 1356 HE ARG 85 -1.366 -39.023 28.920 1.00 2.12 ATOM 1357 CZ ARG 85 0.097 -38.908 30.223 1.00 24.41 ATOM 1358 NH1 ARG 85 1.198 -39.428 30.659 1.00 74.33 ATOM 1359 HH11 ARG 85 1.586 -40.221 30.210 1.00 71.21 ATOM 1360 HH12 ARG 85 1.659 -39.023 31.453 1.00 15.51 ATOM 1361 NH2 ARG 85 -0.413 -37.896 30.841 1.00 21.43 ATOM 1362 HH21 ARG 85 -1.272 -37.505 30.539 1.00 63.20 ATOM 1363 HH22 ARG 85 0.081 -37.486 31.608 1.00 55.25 ATOM 1364 C ARG 85 0.395 -37.084 25.709 1.00 60.33 ATOM 1365 O ARG 85 -0.576 -37.169 24.959 1.00 32.11 ATOM 1366 N GLY 86 0.542 -36.099 26.599 1.00 21.23 ATOM 1367 HN GLY 86 1.347 -36.086 27.167 1.00 37.19 ATOM 1368 CA GLY 86 -0.466 -35.052 26.745 1.00 63.50 ATOM 1369 HA1 GLY 86 -0.150 -34.378 27.528 1.00 37.19 ATOM 1370 HA2 GLY 86 -1.400 -35.508 27.042 1.00 55.40 ATOM 1371 C GLY 86 -0.697 -34.246 25.469 1.00 52.45 ATOM 1372 O GLY 86 -1.825 -34.160 24.972 1.00 4.05 ATOM 1373 N CYS 87 0.373 -33.657 24.933 1.00 74.43 ATOM 1374 HN CYS 87 1.245 -33.762 25.374 1.00 37.19 ATOM 1375 CA CYS 87 0.284 -32.851 23.707 1.00 53.22 ATOM 1376 HA CYS 87 -0.452 -32.079 23.880 1.00 11.31 ATOM 1377 CB CYS 87 1.632 -32.185 23.408 1.00 34.41 ATOM 1378 HB1 CYS 87 1.564 -31.644 22.474 1.00 37.19 ATOM 1379 HB2 CYS 87 2.393 -32.947 23.321 1.00 42.42 ATOM 1380 SG CYS 87 2.175 -31.017 24.678 1.00 35.54 ATOM 1381 HG CYS 87 3.330 -30.499 24.287 1.00 61.21 ATOM 1382 C CYS 87 -0.164 -33.693 22.501 1.00 31.54 ATOM 1383 O CYS 87 -0.946 -33.233 21.666 1.00 72.41 ATOM 1384 N GLY 88 0.330 -34.926 22.419 1.00 74.43 ATOM 1385 HN GLY 88 0.966 -35.234 23.101 1.00 37.19 ATOM 1386 CA GLY 88 -0.055 -35.823 21.333 1.00 2.02 ATOM 1387 HA1 GLY 88 0.577 -36.698 21.368 1.00 37.19 ATOM 1388 HA2 GLY 88 0.106 -35.319 20.391 1.00 4.42 ATOM 1389 C GLY 88 -1.513 -36.269 21.409 1.00 73.01 ATOM 1390 O GLY 88 -2.198 -36.357 20.390 1.00 74.42 ATOM 1391 N ALA 89 -1.992 -36.541 22.618 1.00 71.51 ATOM 1392 HN ALA 89 -1.402 -36.441 23.396 1.00 37.19 ATOM 1393 CA ALA 89 -3.371 -36.997 22.820 1.00 64.42 ATOM 1394 HA ALA 89 -3.557 -37.802 22.121 1.00 73.24 ATOM 1395 CB ALA 89 -3.539 -37.554 24.229 1.00 32.34 ATOM 1396 HB1 ALA 89 -4.551 -37.908 24.359 1.00 31.14 ATOM 1397 HB2 ALA 89 -3.333 -36.777 24.952 1.00 72.03 ATOM 1398 HB3 ALA 89 -2.850 -38.374 24.378 1.00 41.42 ATOM 1399 C ALA 89 -4.394 -35.875 22.569 1.00 40.13 ATOM 1400 O ALA 89 -5.232 -35.978 21.668 1.00 13.42 ATOM 1401 N SER 90 -4.319 -34.806 23.365 1.00 70.12 ATOM 1402 HN SER 90 -3.592 -34.756 24.026 1.00 37.19 ATOM 1403 CA SER 90 -5.299 -33.705 23.291 1.00 24.04 ATOM 1404 HA SER 90 -6.281 -34.152 23.214 1.00 61.01 ATOM 1405 CB SER 90 -5.253 -32.850 24.568 1.00 21.03 ATOM 1406 HB1 SER 90 -4.264 -32.431 24.682 1.00 37.19 ATOM 1407 HB2 SER 90 -5.481 -33.471 25.422 1.00 34.15 ATOM 1408 OG SER 90 -6.197 -31.787 24.514 1.00 73.01 ATOM 1409 HG SER 90 -5.893 -31.056 25.066 1.00 21.42 ATOM 1410 C SER 90 -5.080 -32.799 22.068 1.00 74.41 ATOM 1411 O SER 90 -5.993 -32.581 21.273 1.00 25.33 ATOM 1412 N LEU 91 -3.865 -32.275 21.920 1.00 31.20 ATOM 1413 HN LEU 91 -3.149 -32.557 22.527 1.00 37.19 ATOM 1414 CA LEU 91 -3.568 -31.280 20.875 1.00 43.31 ATOM 1415 HA LEU 91 -4.448 -30.662 20.761 1.00 44.11 ATOM 1416 CB LEU 91 -2.411 -30.384 21.333 1.00 33.41 ATOM 1417 HB1 LEU 91 -2.047 -29.826 20.480 1.00 37.19 ATOM 1418 HB2 LEU 91 -1.612 -31.018 21.695 1.00 21.14 ATOM 1419 CG LEU 91 -2.780 -29.383 22.440 1.00 24.15 ATOM 1420 HG LEU 91 -3.313 -29.902 23.224 1.00 15.45 ATOM 1421 CD1 LEU 91 -1.532 -28.762 23.054 1.00 22.55 ATOM 1422 HD11 LEU 91 -0.990 -28.215 22.297 1.00 13.32 ATOM 1423 HD12 LEU 91 -0.903 -29.544 23.454 1.00 65.42 ATOM 1424 HD13 LEU 91 -1.819 -28.090 23.849 1.00 12.32 ATOM 1425 CD2 LEU 91 -3.700 -28.298 21.882 1.00 20.54 ATOM 1426 HD21 LEU 91 -3.935 -27.587 22.659 1.00 15.50 ATOM 1427 HD22 LEU 91 -4.613 -28.750 21.519 1.00 2.14 ATOM 1428 HD23 LEU 91 -3.201 -27.790 21.066 1.00 3.13 ATOM 1429 C LEU 91 -3.251 -31.913 19.510 1.00 21.13 ATOM 1430 O LEU 91 -3.462 -31.282 18.471 1.00 21.23 ATOM 1431 N ARG 92 -2.735 -33.145 19.517 1.00 23.21 ATOM 1432 HN ARG 92 -2.566 -33.582 20.379 1.00 37.19 ATOM 1433 CA ARG 92 -2.406 -33.867 18.273 1.00 41.43 ATOM 1434 HA ARG 92 -1.963 -34.812 18.551 1.00 33.34 ATOM 1435 CB ARG 92 -3.686 -34.137 17.458 1.00 44.30 ATOM 1436 HB1 ARG 92 -3.419 -34.674 16.557 1.00 37.19 ATOM 1437 HB2 ARG 92 -4.127 -33.190 17.181 1.00 23.41 ATOM 1438 CG ARG 92 -4.739 -34.951 18.203 1.00 54.11 ATOM 1439 HG1 ARG 92 -5.042 -34.406 19.087 1.00 37.19 ATOM 1440 HG2 ARG 92 -4.309 -35.898 18.494 1.00 73.43 ATOM 1441 CD ARG 92 -5.971 -35.213 17.337 1.00 34.24 ATOM 1442 HD1 ARG 92 -6.426 -34.266 17.081 1.00 37.19 ATOM 1443 HD2 ARG 92 -6.674 -35.807 17.904 1.00 50.41 ATOM 1444 NE ARG 92 -5.631 -35.927 16.105 1.00 43.14 ATOM 1445 HE ARG 92 -4.695 -36.163 15.964 1.00 22.43 ATOM 1446 CZ ARG 92 -6.496 -36.272 15.188 1.00 71.15 ATOM 1447 NH1 ARG 92 -7.752 -35.993 15.327 1.00 3.11 ATOM 1448 HH11 ARG 92 -8.067 -35.505 16.138 1.00 32.52 ATOM 1449 HH12 ARG 92 -8.405 -36.279 14.634 1.00 63.25 ATOM 1450 NH2 ARG 92 -6.094 -36.903 14.130 1.00 34.31 ATOM 1451 HH21 ARG 92 -5.125 -37.124 14.021 1.00 2.54 ATOM 1452 HH22 ARG 92 -6.750 -37.165 13.424 1.00 53.12 ATOM 1453 C ARG 92 -1.395 -33.085 17.413 1.00 52.43 ATOM 1454 O ARG 92 -1.372 -33.208 16.185 1.00 45.22 ATOM 1455 N LEU 93 -0.550 -32.296 18.066 1.00 61.32 ATOM 1456 HN LEU 93 -0.561 -32.301 19.046 1.00 37.19 ATOM 1457 CA LEU 93 0.400 -31.424 17.366 1.00 60.44 ATOM 1458 HA LEU 93 -0.087 -31.079 16.464 1.00 73.43 ATOM 1459 CB LEU 93 0.715 -30.195 18.243 1.00 62.23 ATOM 1460 HB1 LEU 93 -0.166 -29.569 18.264 1.00 37.19 ATOM 1461 HB2 LEU 93 1.510 -29.637 17.765 1.00 24.32 ATOM 1462 CG LEU 93 1.134 -30.473 19.705 1.00 71.23 ATOM 1463 HG LEU 93 0.448 -31.191 20.134 1.00 33.53 ATOM 1464 CD1 LEU 93 2.540 -31.067 19.793 1.00 71.02 ATOM 1465 HD11 LEU 93 2.562 -32.019 19.284 1.00 73.51 ATOM 1466 HD12 LEU 93 2.808 -31.209 20.831 1.00 35.13 ATOM 1467 HD13 LEU 93 3.248 -30.393 19.328 1.00 13.31 ATOM 1468 CD2 LEU 93 1.043 -29.195 20.532 1.00 75.45 ATOM 1469 HD21 LEU 93 0.026 -28.827 20.516 1.00 12.50 ATOM 1470 HD22 LEU 93 1.703 -28.446 20.118 1.00 72.55 ATOM 1471 HD23 LEU 93 1.331 -29.403 21.552 1.00 65.22 ATOM 1472 C LEU 93 1.691 -32.159 16.957 1.00 3.02 ATOM 1473 O LEU 93 1.844 -33.357 17.197 1.00 72.12 ATOM 1474 N GLU 94 2.611 -31.422 16.330 1.00 21.32 ATOM 1475 HN GLU 94 2.409 -30.486 16.132 1.00 37.19 ATOM 1476 CA GLU 94 3.917 -31.962 15.923 1.00 71.45 ATOM 1477 HA GLU 94 3.746 -32.713 15.163 1.00 75.41 ATOM 1478 CB GLU 94 4.784 -30.838 15.330 1.00 42.23 ATOM 1479 HB1 GLU 94 5.789 -31.211 15.186 1.00 37.19 ATOM 1480 HB2 GLU 94 4.817 -30.021 16.036 1.00 71.21 ATOM 1481 CG GLU 94 4.286 -30.287 13.996 1.00 20.54 ATOM 1482 HG1 GLU 94 4.775 -29.340 13.810 1.00 37.19 ATOM 1483 HG2 GLU 94 3.218 -30.125 14.065 1.00 21.13 ATOM 1484 CD GLU 94 4.567 -31.220 12.823 1.00 1.14 ATOM 1485 OE1 GLU 94 3.655 -31.965 12.401 1.00 35.32 ATOM 1486 OE2 GLU 94 5.706 -31.206 12.311 1.00 61.53 ATOM 1487 C GLU 94 4.656 -32.610 17.109 1.00 72.23 ATOM 1488 O GLU 94 5.161 -31.918 17.991 1.00 75.25 ATOM 1489 N THR 95 4.697 -33.938 17.137 1.00 53.13 ATOM 1490 HN THR 95 4.233 -34.443 16.438 1.00 37.19 ATOM 1491 CA THR 95 5.422 -34.668 18.186 1.00 71.00 ATOM 1492 HA THR 95 5.533 -34.007 19.037 1.00 34.25 ATOM 1493 CB THR 95 4.650 -35.927 18.651 1.00 64.43 ATOM 1494 HB THR 95 5.250 -36.444 19.388 1.00 74.22 ATOM 1495 OG1 THR 95 4.421 -36.808 17.538 1.00 61.30 ATOM 1496 HG1 THR 95 3.482 -36.812 17.320 1.00 62.41 ATOM 1497 CG2 THR 95 3.316 -35.552 19.292 1.00 55.14 ATOM 1498 HG21 THR 95 3.495 -34.950 20.173 1.00 60.42 ATOM 1499 HG22 THR 95 2.787 -36.450 19.574 1.00 12.42 ATOM 1500 HG23 THR 95 2.721 -34.990 18.587 1.00 12.34 ATOM 1501 C THR 95 6.816 -35.092 17.709 1.00 61.41 ATOM 1502 O THR 95 7.098 -35.112 16.508 1.00 61.32 ATOM 1503 N PHE 96 7.684 -35.436 18.656 1.00 75.42 ATOM 1504 HN PHE 96 7.391 -35.436 19.591 1.00 37.19 ATOM 1505 CA PHE 96 9.065 -35.825 18.344 1.00 64.31 ATOM 1506 HA PHE 96 9.094 -36.153 17.314 1.00 23.24 ATOM 1507 CB PHE 96 10.006 -34.619 18.509 1.00 63.24 ATOM 1508 HB1 PHE 96 9.700 -33.838 17.825 1.00 37.19 ATOM 1509 HB2 PHE 96 11.015 -34.922 18.266 1.00 70.42 ATOM 1510 CG PHE 96 10.018 -34.039 19.904 1.00 14.42 ATOM 1511 CD1 PHE 96 9.084 -33.084 20.282 1.00 12.31 ATOM 1512 HD1 PHE 96 8.341 -32.757 19.568 1.00 60.41 ATOM 1513 CD2 PHE 96 10.961 -34.449 20.836 1.00 11.03 ATOM 1514 HD2 PHE 96 11.696 -35.192 20.558 1.00 33.22 ATOM 1515 CE1 PHE 96 9.091 -32.552 21.558 1.00 14.31 ATOM 1516 HE1 PHE 96 8.358 -31.809 21.838 1.00 44.02 ATOM 1517 CE2 PHE 96 10.972 -33.919 22.113 1.00 15.11 ATOM 1518 HE2 PHE 96 11.713 -34.248 22.827 1.00 21.41 ATOM 1519 CZ PHE 96 10.037 -32.970 22.474 1.00 74.24 ATOM 1520 HZ PHE 96 10.045 -32.555 23.470 1.00 42.44 ATOM 1521 C PHE 96 9.534 -36.979 19.240 1.00 62.32 ATOM 1522 O PHE 96 8.954 -37.232 20.296 1.00 51.45 ATOM 1523 N ASP 97 10.581 -37.676 18.814 1.00 51.03 ATOM 1524 HN ASP 97 10.961 -37.476 17.934 1.00 37.19 ATOM 1525 CA ASP 97 11.175 -38.744 19.620 1.00 64.21 ATOM 1526 HA ASP 97 10.368 -39.346 20.016 1.00 41.02 ATOM 1527 CB ASP 97 12.067 -39.629 18.734 1.00 43.32 ATOM 1528 HB1 ASP 97 12.878 -39.028 18.346 1.00 37.19 ATOM 1529 HB2 ASP 97 11.480 -39.998 17.905 1.00 13.34 ATOM 1530 CG ASP 97 12.666 -40.828 19.459 1.00 11.00 ATOM 1531 OD1 ASP 97 13.538 -41.501 18.870 1.00 1.40 ATOM 1532 OD2 ASP 97 12.271 -41.112 20.610 1.00 33.02 ATOM 1533 C ASP 97 11.983 -38.158 20.794 1.00 52.11 ATOM 1534 O ASP 97 12.757 -37.211 20.624 1.00 44.42 ATOM 1535 N ALA 98 11.802 -38.736 21.982 1.00 31.53 ATOM 1536 HN ALA 98 11.190 -39.498 22.045 1.00 37.19 ATOM 1537 CA ALA 98 12.505 -38.282 23.190 1.00 41.40 ATOM 1538 HA ALA 98 12.204 -37.261 23.388 1.00 72.12 ATOM 1539 CB ALA 98 12.093 -39.139 24.384 1.00 64.01 ATOM 1540 HB1 ALA 98 12.590 -38.781 25.276 1.00 51.45 ATOM 1541 HB2 ALA 98 12.373 -40.168 24.206 1.00 13.21 ATOM 1542 HB3 ALA 98 11.022 -39.078 24.521 1.00 72.32 ATOM 1543 C ALA 98 14.028 -38.325 22.999 1.00 23.15 ATOM 1544 O ALA 98 14.769 -37.532 23.587 1.00 62.25 ATOM 1545 N ASN 99 14.478 -39.248 22.158 1.00 4.24 ATOM 1546 HN ASN 99 13.827 -39.840 21.717 1.00 37.19 ATOM 1547 CA ASN 99 15.903 -39.419 21.865 1.00 73.32 ATOM 1548 HA ASN 99 16.414 -39.564 22.807 1.00 60.12 ATOM 1549 CB ASN 99 16.095 -40.669 21.004 1.00 61.53 ATOM 1550 HB1 ASN 99 17.146 -40.791 20.783 1.00 37.19 ATOM 1551 HB2 ASN 99 15.547 -40.550 20.079 1.00 45.44 ATOM 1552 CG ASN 99 15.600 -41.925 21.705 1.00 74.52 ATOM 1553 OD1 ASN 99 15.743 -42.073 22.915 1.00 11.20 ATOM 1554 ND2 ASN 99 14.987 -42.822 20.963 1.00 40.10 ATOM 1555 HD21 ASN 99 14.878 -42.636 20.008 1.00 12.33 ATOM 1556 HD22 ASN 99 14.653 -43.630 21.401 1.00 2.35 ATOM 1557 C ASN 99 16.502 -38.183 21.165 1.00 51.50 ATOM 1558 O ASN 99 17.638 -37.791 21.450 1.00 74.42 ATOM 1559 N ASP 100 15.733 -37.565 20.260 1.00 63.24 ATOM 1560 HN ASP 100 14.842 -37.929 20.059 1.00 37.19 ATOM 1561 CA ASP 100 16.183 -36.353 19.561 1.00 30.20 ATOM 1562 HA ASP 100 17.078 -36.606 19.009 1.00 51.42 ATOM 1563 CB ASP 100 15.120 -35.870 18.573 1.00 23.45 ATOM 1564 HB1 ASP 100 15.360 -34.864 18.251 1.00 37.19 ATOM 1565 HB2 ASP 100 14.156 -35.864 19.063 1.00 72.33 ATOM 1566 CG ASP 100 15.040 -36.757 17.351 1.00 31.13 ATOM 1567 OD1 ASP 100 15.942 -36.670 16.497 1.00 64.23 ATOM 1568 OD2 ASP 100 14.077 -37.534 17.231 1.00 20.43 ATOM 1569 C ASP 100 16.517 -35.231 20.545 1.00 10.51 ATOM 1570 O ASP 100 17.568 -34.598 20.445 1.00 31.13 ATOM 1571 N LEU 101 15.623 -34.994 21.496 1.00 41.34 ATOM 1572 HN LEU 101 14.807 -35.539 21.529 1.00 37.19 ATOM 1573 CA LEU 101 15.826 -33.944 22.496 1.00 22.50 ATOM 1574 HA LEU 101 16.136 -33.048 21.973 1.00 65.31 ATOM 1575 CB LEU 101 14.512 -33.655 23.234 1.00 40.31 ATOM 1576 HB1 LEU 101 14.149 -34.584 23.650 1.00 37.19 ATOM 1577 HB2 LEU 101 13.791 -33.301 22.509 1.00 41.44 ATOM 1578 CG LEU 101 14.602 -32.620 24.373 1.00 32.34 ATOM 1579 HG LEU 101 15.280 -32.989 25.130 1.00 51.51 ATOM 1580 CD1 LEU 101 15.156 -31.289 23.863 1.00 4.32 ATOM 1581 HD11 LEU 101 16.151 -31.438 23.468 1.00 51.44 ATOM 1582 HD12 LEU 101 15.196 -30.579 24.675 1.00 44.44 ATOM 1583 HD13 LEU 101 14.515 -30.907 23.083 1.00 41.14 ATOM 1584 CD2 LEU 101 13.235 -32.423 25.025 1.00 24.12 ATOM 1585 HD21 LEU 101 13.320 -31.709 25.832 1.00 1.14 ATOM 1586 HD22 LEU 101 12.882 -33.366 25.416 1.00 24.01 ATOM 1587 HD23 LEU 101 12.534 -32.054 24.290 1.00 22.54 ATOM 1588 C LEU 101 16.919 -34.329 23.502 1.00 12.02 ATOM 1589 O LEU 101 17.870 -33.575 23.720 1.00 62.22 ATOM 1590 N TYR 102 16.793 -35.516 24.089 1.00 74.20 ATOM 1591 HN TYR 102 16.060 -36.108 23.813 1.00 37.19 ATOM 1592 CA TYR 102 17.709 -35.962 25.146 1.00 32.31 ATOM 1593 HA TYR 102 17.660 -35.232 25.943 1.00 71.42 ATOM 1594 CB TYR 102 17.251 -37.319 25.700 1.00 21.22 ATOM 1595 HB1 TYR 102 17.329 -38.067 24.921 1.00 37.19 ATOM 1596 HB2 TYR 102 16.219 -37.242 26.012 1.00 1.10 ATOM 1597 CG TYR 102 18.064 -37.793 26.890 1.00 44.31 ATOM 1598 CD1 TYR 102 17.954 -37.159 28.122 1.00 2.34 ATOM 1599 HD1 TYR 102 17.276 -36.324 28.226 1.00 62.34 ATOM 1600 CD2 TYR 102 18.943 -38.864 26.782 1.00 15.00 ATOM 1601 HD2 TYR 102 19.041 -39.370 25.832 1.00 44.32 ATOM 1602 CE1 TYR 102 18.698 -37.576 29.208 1.00 43.42 ATOM 1603 HE1 TYR 102 18.598 -37.067 30.157 1.00 70.31 ATOM 1604 CE2 TYR 102 19.687 -39.288 27.864 1.00 12.34 ATOM 1605 HE2 TYR 102 20.365 -40.123 27.760 1.00 24.42 ATOM 1606 CZ TYR 102 19.562 -38.641 29.075 1.00 1.45 ATOM 1607 OH TYR 102 20.311 -39.054 30.154 1.00 32.02 ATOM 1608 HH TYR 102 21.215 -39.228 29.865 1.00 5.21 ATOM 1609 C TYR 102 19.172 -36.051 24.661 1.00 53.11 ATOM 1610 O TYR 102 20.102 -35.793 25.425 1.00 73.43 ATOM 1611 N GLN 103 19.373 -36.429 23.397 1.00 75.40 ATOM 1612 HN GLN 103 18.597 -36.646 22.834 1.00 37.19 ATOM 1613 CA GLN 103 20.728 -36.554 22.833 1.00 1.03 ATOM 1614 HA GLN 103 21.433 -36.483 23.650 1.00 33.41 ATOM 1615 CB GLN 103 20.895 -37.927 22.168 1.00 32.42 ATOM 1616 HB1 GLN 103 21.858 -37.963 21.676 1.00 37.19 ATOM 1617 HB2 GLN 103 20.119 -38.053 21.426 1.00 64.12 ATOM 1618 CG GLN 103 20.816 -39.096 23.144 1.00 62.24 ATOM 1619 HG1 GLN 103 20.853 -40.019 22.584 1.00 37.19 ATOM 1620 HG2 GLN 103 19.878 -39.043 23.680 1.00 61.35 ATOM 1621 CD GLN 103 21.957 -39.093 24.154 1.00 21.32 ATOM 1622 OE1 GLN 103 23.010 -39.673 23.917 1.00 74.35 ATOM 1623 NE2 GLN 103 21.764 -38.437 25.282 1.00 20.55 ATOM 1624 HE21 GLN 103 20.908 -37.986 25.417 1.00 52.11 ATOM 1625 HE22 GLN 103 22.487 -38.439 25.946 1.00 40.32 ATOM 1626 C GLN 103 21.056 -35.439 21.825 1.00 50.44 ATOM 1627 O GLN 103 22.136 -35.432 21.237 1.00 74.51 ATOM 1628 N GLY 104 20.130 -34.500 21.632 1.00 35.44 ATOM 1629 HN GLY 104 19.283 -34.555 22.121 1.00 37.19 ATOM 1630 CA GLY 104 20.362 -33.389 20.707 1.00 1.01 ATOM 1631 HA1 GLY 104 21.201 -32.808 21.065 1.00 37.19 ATOM 1632 HA2 GLY 104 19.486 -32.758 20.701 1.00 70.35 ATOM 1633 C GLY 104 20.649 -33.838 19.272 1.00 34.41 ATOM 1634 O GLY 104 21.629 -33.407 18.661 1.00 71.42 ATOM 1635 N GLN 105 19.792 -34.704 18.736 1.00 55.43 ATOM 1636 HN GLN 105 19.029 -35.004 19.272 1.00 37.19 ATOM 1637 CA GLN 105 19.958 -35.220 17.372 1.00 11.44 ATOM 1638 HA GLN 105 21.018 -35.250 17.158 1.00 34.14 ATOM 1639 CB GLN 105 19.394 -36.647 17.271 1.00 73.12 ATOM 1640 HB1 GLN 105 19.584 -37.027 16.277 1.00 37.19 ATOM 1641 HB2 GLN 105 18.326 -36.611 17.434 1.00 71.32 ATOM 1642 CG GLN 105 20.002 -37.618 18.280 1.00 31.43 ATOM 1643 HG1 GLN 105 19.831 -37.236 19.276 1.00 37.19 ATOM 1644 HG2 GLN 105 21.066 -37.683 18.102 1.00 53.54 ATOM 1645 CD GLN 105 19.411 -39.017 18.188 1.00 4.33 ATOM 1646 OE1 GLN 105 18.262 -39.197 17.808 1.00 25.41 ATOM 1647 NE2 GLN 105 20.186 -40.018 18.551 1.00 70.22 ATOM 1648 HE21 GLN 105 21.094 -39.818 18.856 1.00 62.24 ATOM 1649 HE22 GLN 105 19.817 -40.923 18.502 1.00 2.31 ATOM 1650 C GLN 105 19.279 -34.297 16.343 1.00 21.34 ATOM 1651 O GLN 105 19.943 -33.495 15.684 1.00 51.24 ATOM 1652 N ASN 106 17.958 -34.410 16.201 1.00 41.32 ATOM 1653 HN ASN 106 17.479 -35.113 16.694 1.00 37.19 ATOM 1654 CA ASN 106 17.200 -33.525 15.309 1.00 32.12 ATOM 1655 HA ASN 106 17.910 -32.970 14.709 1.00 40.24 ATOM 1656 CB ASN 106 16.306 -34.350 14.377 1.00 73.43 ATOM 1657 HB1 ASN 106 15.712 -33.680 13.769 1.00 37.19 ATOM 1658 HB2 ASN 106 15.649 -34.965 14.975 1.00 41.35 ATOM 1659 CG ASN 106 17.107 -35.254 13.455 1.00 4.21 ATOM 1660 OD1 ASN 106 18.210 -34.913 13.034 1.00 71.23 ATOM 1661 ND2 ASN 106 16.576 -36.421 13.149 1.00 61.14 ATOM 1662 HD21 ASN 106 15.704 -36.650 13.531 1.00 14.11 ATOM 1663 HD22 ASN 106 17.078 -37.013 12.551 1.00 62.32 ATOM 1664 C ASN 106 16.359 -32.522 16.115 1.00 32.34 ATOM 1665 O ASN 106 15.178 -32.752 16.386 1.00 73.32 ATOM 1666 N PHE 107 16.982 -31.409 16.501 1.00 20.11 ATOM 1667 HN PHE 107 17.913 -31.263 16.218 1.00 37.19 ATOM 1668 CA PHE 107 16.322 -30.398 17.339 1.00 35.33 ATOM 1669 HA PHE 107 15.861 -30.916 18.169 1.00 43.13 ATOM 1670 CB PHE 107 17.361 -29.410 17.892 1.00 4.52 ATOM 1671 HB1 PHE 107 17.828 -28.888 17.067 1.00 37.19 ATOM 1672 HB2 PHE 107 18.119 -29.960 18.433 1.00 13.53 ATOM 1673 CG PHE 107 16.781 -28.378 18.832 1.00 52.41 ATOM 1674 CD1 PHE 107 16.393 -28.733 20.117 1.00 45.42 ATOM 1675 HD1 PHE 107 16.506 -29.758 20.443 1.00 42.12 ATOM 1676 CD2 PHE 107 16.628 -27.056 18.432 1.00 62.30 ATOM 1677 HD2 PHE 107 16.925 -26.766 17.434 1.00 33.15 ATOM 1678 CE1 PHE 107 15.863 -27.793 20.981 1.00 60.45 ATOM 1679 HE1 PHE 107 15.565 -28.083 21.979 1.00 51.12 ATOM 1680 CE2 PHE 107 16.098 -26.114 19.293 1.00 20.52 ATOM 1681 HE2 PHE 107 15.983 -25.089 18.968 1.00 43.20 ATOM 1682 CZ PHE 107 15.716 -26.483 20.568 1.00 20.31 ATOM 1683 HZ PHE 107 15.302 -25.746 21.243 1.00 14.12 ATOM 1684 C PHE 107 15.224 -29.644 16.568 1.00 50.11 ATOM 1685 O PHE 107 14.300 -29.094 17.168 1.00 12.52 ATOM 1686 N ASN 108 15.327 -29.633 15.238 1.00 74.44 ATOM 1687 HN ASN 108 16.092 -30.086 14.820 1.00 37.19 ATOM 1688 CA ASN 108 14.339 -28.962 14.378 1.00 23.12 ATOM 1689 HA ASN 108 14.411 -27.901 14.572 1.00 42.33 ATOM 1690 CB ASN 108 14.677 -29.215 12.902 1.00 51.40 ATOM 1691 HB1 ASN 108 15.579 -28.677 12.650 1.00 37.19 ATOM 1692 HB2 ASN 108 13.866 -28.855 12.284 1.00 13.53 ATOM 1693 CG ASN 108 14.895 -30.690 12.599 1.00 72.15 ATOM 1694 OD1 ASN 108 15.996 -31.204 12.747 1.00 23.21 ATOM 1695 ND2 ASN 108 13.859 -31.379 12.169 1.00 23.24 ATOM 1696 HD21 ASN 108 13.001 -30.914 12.061 1.00 42.21 ATOM 1697 HD22 ASN 108 13.988 -32.330 11.969 1.00 73.32 ATOM 1698 C ASN 108 12.899 -29.415 14.689 1.00 10.34 ATOM 1699 O ASN 108 11.972 -28.604 14.691 1.00 52.43 ATOM 1700 N LYS 109 12.722 -30.708 14.963 1.00 75.15 ATOM 1701 HN LYS 109 13.492 -31.312 14.922 1.00 37.19 ATOM 1702 CA LYS 109 11.404 -31.249 15.323 1.00 13.13 ATOM 1703 HA LYS 109 10.695 -30.910 14.580 1.00 52.42 ATOM 1704 CB LYS 109 11.435 -32.783 15.313 1.00 11.44 ATOM 1705 HB1 LYS 109 10.466 -33.154 15.618 1.00 37.19 ATOM 1706 HB2 LYS 109 12.178 -33.121 16.022 1.00 32.13 ATOM 1707 CG LYS 109 11.767 -33.381 13.950 1.00 34.15 ATOM 1708 HG1 LYS 109 12.753 -33.049 13.653 1.00 37.19 ATOM 1709 HG2 LYS 109 11.041 -33.032 13.229 1.00 22.21 ATOM 1710 CD LYS 109 11.742 -34.907 13.973 1.00 34.24 ATOM 1711 HD1 LYS 109 11.948 -35.274 12.976 1.00 37.19 ATOM 1712 HD2 LYS 109 10.760 -35.236 14.279 1.00 14.54 ATOM 1713 CE LYS 109 12.775 -35.482 14.936 1.00 33.43 ATOM 1714 HE1 LYS 109 12.531 -35.165 15.941 1.00 37.19 ATOM 1715 HE2 LYS 109 13.751 -35.104 14.668 1.00 1.23 ATOM 1716 NZ LYS 109 12.807 -36.966 14.894 1.00 34.11 ATOM 1717 HZ1 LYS 109 11.870 -37.352 15.113 1.00 61.43 ATOM 1718 HZ2 LYS 109 13.487 -37.330 15.593 1.00 3.54 ATOM 1719 HZ3 LYS 109 13.094 -37.293 13.949 1.00 22.41 ATOM 1720 C LYS 109 10.952 -30.749 16.704 1.00 64.15 ATOM 1721 O LYS 109 9.793 -30.378 16.895 1.00 44.02 ATOM 1722 N VAL 110 11.882 -30.738 17.660 1.00 11.42 ATOM 1723 HN VAL 110 12.783 -31.053 17.445 1.00 37.19 ATOM 1724 CA VAL 110 11.599 -30.264 19.021 1.00 42.55 ATOM 1725 HA VAL 110 10.795 -30.867 19.424 1.00 61.21 ATOM 1726 CB VAL 110 12.836 -30.415 19.944 1.00 24.43 ATOM 1727 HB VAL 110 13.612 -29.755 19.576 1.00 11.24 ATOM 1728 CG1 VAL 110 12.502 -29.994 21.378 1.00 75.31 ATOM 1729 HG11 VAL 110 13.390 -30.049 21.988 1.00 64.52 ATOM 1730 HG12 VAL 110 11.747 -30.653 21.782 1.00 14.11 ATOM 1731 HG13 VAL 110 12.129 -28.979 21.379 1.00 32.30 ATOM 1732 CG2 VAL 110 13.370 -31.846 19.900 1.00 51.24 ATOM 1733 HG21 VAL 110 14.263 -31.920 20.503 1.00 22.03 ATOM 1734 HG22 VAL 110 13.603 -32.113 18.878 1.00 43.21 ATOM 1735 HG23 VAL 110 12.620 -32.522 20.283 1.00 65.30 ATOM 1736 C VAL 110 11.163 -28.793 19.015 1.00 13.33 ATOM 1737 O VAL 110 10.120 -28.440 19.570 1.00 74.44 ATOM 1738 N LEU 111 11.966 -27.941 18.376 1.00 21.20 ATOM 1739 HN LEU 111 12.790 -28.282 17.965 1.00 37.19 ATOM 1740 CA LEU 111 11.657 -26.511 18.277 1.00 42.15 ATOM 1741 HA LEU 111 11.616 -26.113 19.282 1.00 14.15 ATOM 1742 CB LEU 111 12.762 -25.782 17.496 1.00 3.24 ATOM 1743 HB1 LEU 111 12.722 -26.112 16.466 1.00 37.19 ATOM 1744 HB2 LEU 111 13.719 -26.074 17.908 1.00 73.50 ATOM 1745 CG LEU 111 12.675 -24.245 17.510 1.00 12.42 ATOM 1746 HG LEU 111 11.727 -23.942 17.085 1.00 71.45 ATOM 1747 CD1 LEU 111 12.732 -23.711 18.940 1.00 2.40 ATOM 1748 HD11 LEU 111 12.637 -22.634 18.926 1.00 71.12 ATOM 1749 HD12 LEU 111 13.676 -23.982 19.392 1.00 60.25 ATOM 1750 HD13 LEU 111 11.922 -24.135 19.517 1.00 22.10 ATOM 1751 CD2 LEU 111 13.787 -23.635 16.657 1.00 33.45 ATOM 1752 HD21 LEU 111 13.686 -23.974 15.636 1.00 30.15 ATOM 1753 HD22 LEU 111 14.750 -23.941 17.043 1.00 55.13 ATOM 1754 HD23 LEU 111 13.715 -22.556 16.686 1.00 62.11 ATOM 1755 C LEU 111 10.295 -26.283 17.601 1.00 12.25 ATOM 1756 O LEU 111 9.467 -25.513 18.090 1.00 22.30 ATOM 1757 N SER 112 10.067 -26.969 16.479 1.00 43.24 ATOM 1758 HN SER 112 10.778 -27.545 16.122 1.00 37.19 ATOM 1759 CA SER 112 8.787 -26.880 15.757 1.00 34.13 ATOM 1760 HA SER 112 8.629 -25.841 15.498 1.00 43.03 ATOM 1761 CB SER 112 8.834 -27.708 14.464 1.00 21.45 ATOM 1762 HB1 SER 112 7.873 -27.659 13.970 1.00 37.19 ATOM 1763 HB2 SER 112 9.061 -28.736 14.703 1.00 31.34 ATOM 1764 OG SER 112 9.828 -27.216 13.574 1.00 41.42 ATOM 1765 HG SER 112 10.570 -27.833 13.550 1.00 52.01 ATOM 1766 C SER 112 7.616 -27.350 16.630 1.00 11.32 ATOM 1767 O SER 112 6.514 -26.807 16.552 1.00 30.22 ATOM 1768 N SER 113 7.859 -28.363 17.459 1.00 42.40 ATOM 1769 HN SER 113 8.740 -28.797 17.437 1.00 37.19 ATOM 1770 CA SER 113 6.846 -28.851 18.407 1.00 24.21 ATOM 1771 HA SER 113 5.970 -29.133 17.840 1.00 4.04 ATOM 1772 CB SER 113 7.368 -30.079 19.163 1.00 13.20 ATOM 1773 HB1 SER 113 8.259 -29.809 19.713 1.00 37.19 ATOM 1774 HB2 SER 113 7.608 -30.859 18.456 1.00 24.24 ATOM 1775 OG SER 113 6.403 -30.578 20.077 1.00 43.40 ATOM 1776 HG SER 113 5.813 -31.186 19.619 1.00 55.24 ATOM 1777 C SER 113 6.458 -27.754 19.406 1.00 50.41 ATOM 1778 O SER 113 5.275 -27.483 19.622 1.00 73.41 ATOM 1779 N LEU 114 7.468 -27.112 19.993 1.00 63.41 ATOM 1780 HN LEU 114 8.387 -27.383 19.780 1.00 37.19 ATOM 1781 CA LEU 114 7.255 -26.019 20.951 1.00 30.44 ATOM 1782 HA LEU 114 6.662 -26.407 21.768 1.00 55.50 ATOM 1783 CB LEU 114 8.604 -25.540 21.504 1.00 73.42 ATOM 1784 HB1 LEU 114 8.420 -24.745 22.213 1.00 37.19 ATOM 1785 HB2 LEU 114 9.184 -25.138 20.682 1.00 43.12 ATOM 1786 CG LEU 114 9.442 -26.623 22.204 1.00 72.40 ATOM 1787 HG LEU 114 9.601 -27.441 21.514 1.00 74.31 ATOM 1788 CD1 LEU 114 10.811 -26.080 22.596 1.00 5.15 ATOM 1789 HD11 LEU 114 11.382 -26.859 23.080 1.00 43.15 ATOM 1790 HD12 LEU 114 10.690 -25.248 23.274 1.00 21.03 ATOM 1791 HD13 LEU 114 11.333 -25.749 21.710 1.00 12.44 ATOM 1792 CD2 LEU 114 8.705 -27.176 23.424 1.00 63.54 ATOM 1793 HD21 LEU 114 7.766 -27.609 23.111 1.00 61.32 ATOM 1794 HD22 LEU 114 8.516 -26.377 24.127 1.00 51.42 ATOM 1795 HD23 LEU 114 9.310 -27.936 23.897 1.00 13.22 ATOM 1796 C LEU 114 6.502 -24.841 20.305 1.00 10.24 ATOM 1797 O LEU 114 5.558 -24.297 20.886 1.00 63.42 ATOM 1798 N VAL 115 6.925 -24.454 19.101 1.00 14.21 ATOM 1799 HN VAL 115 7.712 -24.892 18.711 1.00 37.19 ATOM 1800 CA VAL 115 6.254 -23.386 18.349 1.00 63.10 ATOM 1801 HA VAL 115 6.257 -22.497 18.967 1.00 73.20 ATOM 1802 CB VAL 115 7.002 -23.062 17.029 1.00 54.42 ATOM 1803 HB VAL 115 7.017 -23.955 16.418 1.00 4.33 ATOM 1804 CG1 VAL 115 6.284 -21.961 16.244 1.00 42.31 ATOM 1805 HG11 VAL 115 6.826 -21.752 15.332 1.00 72.43 ATOM 1806 HG12 VAL 115 6.234 -21.063 16.844 1.00 34.41 ATOM 1807 HG13 VAL 115 5.282 -22.285 16.000 1.00 51.12 ATOM 1808 CG2 VAL 115 8.445 -22.663 17.324 1.00 11.02 ATOM 1809 HG21 VAL 115 8.947 -23.475 17.830 1.00 62.30 ATOM 1810 HG22 VAL 115 8.455 -21.786 17.956 1.00 31.31 ATOM 1811 HG23 VAL 115 8.959 -22.445 16.398 1.00 31.31 ATOM 1812 C VAL 115 4.796 -23.759 18.035 1.00 11.14 ATOM 1813 O VAL 115 3.887 -22.946 18.206 1.00 21.42 ATOM 1814 N THR 116 4.578 -24.995 17.582 1.00 11.04 ATOM 1815 HN THR 116 5.346 -25.581 17.413 1.00 37.19 ATOM 1816 CA THR 116 3.219 -25.493 17.326 1.00 31.15 ATOM 1817 HA THR 116 2.751 -24.822 16.617 1.00 54.34 ATOM 1818 CB THR 116 3.223 -26.917 16.714 1.00 34.22 ATOM 1819 HB THR 116 3.738 -27.584 17.395 1.00 65.11 ATOM 1820 OG1 THR 116 3.916 -26.911 15.455 1.00 42.32 ATOM 1821 HG1 THR 116 4.865 -26.828 15.613 1.00 41.42 ATOM 1822 CG2 THR 116 1.800 -27.435 16.508 1.00 63.21 ATOM 1823 HG21 THR 116 1.284 -27.470 17.461 1.00 64.03 ATOM 1824 HG22 THR 116 1.835 -28.428 16.085 1.00 54.42 ATOM 1825 HG23 THR 116 1.270 -26.776 15.837 1.00 63.25 ATOM 1826 C THR 116 2.385 -25.506 18.613 1.00 5.52 ATOM 1827 O THR 116 1.193 -25.202 18.592 1.00 75.02 ATOM 1828 N LEU 117 3.025 -25.855 19.727 1.00 42.32 ATOM 1829 HN LEU 117 3.966 -26.129 19.669 1.00 37.19 ATOM 1830 CA LEU 117 2.373 -25.846 21.040 1.00 44.54 ATOM 1831 HA LEU 117 1.524 -26.512 20.991 1.00 42.41 ATOM 1832 CB LEU 117 3.346 -26.361 22.112 1.00 40.22 ATOM 1833 HB1 LEU 117 4.202 -25.700 22.136 1.00 37.19 ATOM 1834 HB2 LEU 117 3.686 -27.344 21.813 1.00 33.31 ATOM 1835 CG LEU 117 2.776 -26.460 23.537 1.00 45.43 ATOM 1836 HG LEU 117 2.452 -25.480 23.857 1.00 3.32 ATOM 1837 CD1 LEU 117 1.565 -27.387 23.581 1.00 4.44 ATOM 1838 HD11 LEU 117 1.854 -28.380 23.268 1.00 31.04 ATOM 1839 HD12 LEU 117 0.799 -27.010 22.920 1.00 22.12 ATOM 1840 HD13 LEU 117 1.178 -27.427 24.590 1.00 34.51 ATOM 1841 CD2 LEU 117 3.849 -26.937 24.507 1.00 25.12 ATOM 1842 HD21 LEU 117 4.175 -27.928 24.228 1.00 14.42 ATOM 1843 HD22 LEU 117 3.447 -26.958 25.510 1.00 55.15 ATOM 1844 HD23 LEU 117 4.690 -26.259 24.474 1.00 33.21 ATOM 1845 C LEU 117 1.871 -24.436 21.393 1.00 12.34 ATOM 1846 O LEU 117 0.768 -24.272 21.917 1.00 53.40 ATOM 1847 N ASN 118 2.685 -23.423 21.093 1.00 1.13 ATOM 1848 HN ASN 118 3.594 -23.620 20.770 1.00 37.19 ATOM 1849 CA ASN 118 2.269 -22.022 21.244 1.00 20.34 ATOM 1850 HA ASN 118 1.913 -21.889 22.257 1.00 75.15 ATOM 1851 CB ASN 118 3.468 -21.088 21.003 1.00 15.14 ATOM 1852 HB1 ASN 118 3.849 -21.254 20.005 1.00 37.19 ATOM 1853 HB2 ASN 118 4.243 -21.320 21.720 1.00 12.15 ATOM 1854 CG ASN 118 3.113 -19.613 21.143 1.00 34.11 ATOM 1855 OD1 ASN 118 2.707 -18.964 20.186 1.00 32.23 ATOM 1856 ND2 ASN 118 3.272 -19.070 22.333 1.00 1.01 ATOM 1857 HD21 ASN 118 3.605 -19.636 23.059 1.00 30.33 ATOM 1858 HD22 ASN 118 3.054 -18.122 22.439 1.00 24.22 ATOM 1859 C ASN 118 1.128 -21.686 20.263 1.00 74.03 ATOM 1860 O ASN 118 0.122 -21.094 20.645 1.00 3.33 ATOM 1861 N LYS 119 1.295 -22.091 19.004 1.00 54.41 ATOM 1862 HN LYS 119 2.111 -22.583 18.775 1.00 37.19 ATOM 1863 CA LYS 119 0.308 -21.832 17.946 1.00 42.00 ATOM 1864 HA LYS 119 0.249 -20.761 17.806 1.00 72.32 ATOM 1865 CB LYS 119 0.775 -22.478 16.629 1.00 3.34 ATOM 1866 HB1 LYS 119 -0.053 -22.490 15.933 1.00 37.19 ATOM 1867 HB2 LYS 119 1.074 -23.497 16.831 1.00 4.10 ATOM 1868 CG LYS 119 1.948 -21.761 15.963 1.00 24.22 ATOM 1869 HG1 LYS 119 2.733 -21.622 16.694 1.00 37.19 ATOM 1870 HG2 LYS 119 1.613 -20.796 15.610 1.00 15.34 ATOM 1871 CD LYS 119 2.510 -22.554 14.778 1.00 3.33 ATOM 1872 HD1 LYS 119 2.930 -23.480 15.148 1.00 37.19 ATOM 1873 HD2 LYS 119 3.290 -21.972 14.309 1.00 23.43 ATOM 1874 CE LYS 119 1.446 -22.877 13.730 1.00 41.30 ATOM 1875 HE1 LYS 119 0.652 -23.442 14.202 1.00 37.19 ATOM 1876 HE2 LYS 119 1.895 -23.477 12.954 1.00 65.54 ATOM 1877 NZ LYS 119 0.865 -21.656 13.111 1.00 20.11 ATOM 1878 HZ1 LYS 119 0.166 -21.921 12.387 1.00 71.15 ATOM 1879 HZ2 LYS 119 1.612 -21.090 12.660 1.00 33.22 ATOM 1880 HZ3 LYS 119 0.393 -21.074 13.833 1.00 13.11 ATOM 1881 C LYS 119 -1.093 -22.355 18.311 1.00 12.12 ATOM 1882 O LYS 119 -2.066 -21.600 18.314 1.00 1.31 ATOM 1883 N VAL 120 -1.185 -23.647 18.621 1.00 41.22 ATOM 1884 HN VAL 120 -0.366 -24.185 18.658 1.00 37.19 ATOM 1885 CA VAL 120 -2.475 -24.289 18.901 1.00 2.44 ATOM 1886 HA VAL 120 -3.120 -24.085 18.055 1.00 24.52 ATOM 1887 CB VAL 120 -2.332 -25.830 19.020 1.00 14.10 ATOM 1888 HB VAL 120 -3.304 -26.241 19.262 1.00 45.25 ATOM 1889 CG1 VAL 120 -1.885 -26.432 17.689 1.00 70.41 ATOM 1890 HG11 VAL 120 -0.924 -26.022 17.412 1.00 64.12 ATOM 1891 HG12 VAL 120 -2.611 -26.196 16.922 1.00 62.43 ATOM 1892 HG13 VAL 120 -1.804 -27.505 17.787 1.00 1.43 ATOM 1893 CG2 VAL 120 -1.361 -26.212 20.136 1.00 15.54 ATOM 1894 HG21 VAL 120 -1.714 -25.811 21.075 1.00 72.02 ATOM 1895 HG22 VAL 120 -0.382 -25.809 19.919 1.00 4.25 ATOM 1896 HG23 VAL 120 -1.297 -27.289 20.208 1.00 54.40 ATOM 1897 C VAL 120 -3.152 -23.733 20.167 1.00 11.22 ATOM 1898 O VAL 120 -4.339 -23.411 20.150 1.00 23.02 ATOM 1899 N THR 121 -2.399 -23.600 21.259 1.00 65.02 ATOM 1900 HN THR 121 -1.442 -23.819 21.212 1.00 37.19 ATOM 1901 CA THR 121 -2.968 -23.120 22.528 1.00 5.12 ATOM 1902 HA THR 121 -3.878 -23.680 22.707 1.00 74.41 ATOM 1903 CB THR 121 -2.016 -23.363 23.725 1.00 15.01 ATOM 1904 HB THR 121 -2.475 -22.959 24.618 1.00 31.20 ATOM 1905 OG1 THR 121 -0.765 -22.696 23.506 1.00 42.33 ATOM 1906 HG1 THR 121 -0.079 -23.350 23.332 1.00 55.22 ATOM 1907 CG2 THR 121 -1.776 -24.859 23.938 1.00 15.03 ATOM 1908 HG21 THR 121 -2.720 -25.357 24.107 1.00 4.53 ATOM 1909 HG22 THR 121 -1.138 -25.004 24.797 1.00 52.50 ATOM 1910 HG23 THR 121 -1.299 -25.279 23.063 1.00 42.32 ATOM 1911 C THR 121 -3.332 -21.631 22.452 1.00 31.34 ATOM 1912 O THR 121 -4.339 -21.201 23.019 1.00 41.21 ATOM 1913 N ALA 122 -2.524 -20.847 21.737 1.00 42.15 ATOM 1914 HN ALA 122 -1.690 -21.221 21.377 1.00 37.19 ATOM 1915 CA ALA 122 -2.846 -19.437 21.488 1.00 44.33 ATOM 1916 HA ALA 122 -2.975 -18.951 22.447 1.00 10.05 ATOM 1917 CB ALA 122 -1.701 -18.746 20.756 1.00 34.12 ATOM 1918 HB1 ALA 122 -1.556 -19.211 19.791 1.00 2.42 ATOM 1919 HB2 ALA 122 -0.796 -18.838 21.338 1.00 3.31 ATOM 1920 HB3 ALA 122 -1.935 -17.700 20.619 1.00 14.00 ATOM 1921 C ALA 122 -4.151 -19.312 20.689 1.00 41.42 ATOM 1922 O ALA 122 -4.950 -18.402 20.914 1.00 63.44 ATOM 1923 N ASP 123 -4.362 -20.249 19.766 1.00 4.13 ATOM 1924 HN ASP 123 -3.662 -20.918 19.604 1.00 37.19 ATOM 1925 CA ASP 123 -5.597 -20.312 18.978 1.00 34.43 ATOM 1926 HA ASP 123 -5.766 -19.338 18.542 1.00 42.25 ATOM 1927 CB ASP 123 -5.426 -21.345 17.852 1.00 2.52 ATOM 1928 HB1 ASP 123 -5.417 -22.338 18.282 1.00 37.19 ATOM 1929 HB2 ASP 123 -4.482 -21.170 17.356 1.00 53.02 ATOM 1930 CG ASP 123 -6.531 -21.283 16.812 1.00 33.41 ATOM 1931 OD1 ASP 123 -7.594 -21.904 17.021 1.00 70.23 ATOM 1932 OD2 ASP 123 -6.339 -20.616 15.772 1.00 41.14 ATOM 1933 C ASP 123 -6.799 -20.677 19.880 1.00 23.32 ATOM 1934 O ASP 123 -7.938 -20.289 19.613 1.00 50.24 ATOM 1935 N ILE 124 -6.520 -21.416 20.959 1.00 30.22 ATOM 1936 HN ILE 124 -5.594 -21.701 21.106 1.00 37.19 ATOM 1937 CA ILE 124 -7.551 -21.834 21.921 1.00 21.31 ATOM 1938 HA ILE 124 -8.437 -22.105 21.363 1.00 73.44 ATOM 1939 CB ILE 124 -7.081 -23.082 22.713 1.00 13.11 ATOM 1940 HB ILE 124 -6.136 -22.840 23.184 1.00 54.30 ATOM 1941 CG1 ILE 124 -6.875 -24.274 21.762 1.00 40.03 ATOM 1942 HG11 ILE 124 -6.187 -23.988 20.980 1.00 37.19 ATOM 1943 HG12 ILE 124 -7.824 -24.540 21.318 1.00 12.02 ATOM 1944 CG2 ILE 124 -8.077 -23.441 23.816 1.00 53.33 ATOM 1945 HG21 ILE 124 -7.726 -24.312 24.351 1.00 14.01 ATOM 1946 HG22 ILE 124 -9.041 -23.652 23.376 1.00 72.43 ATOM 1947 HG23 ILE 124 -8.169 -22.611 24.502 1.00 32.03 ATOM 1948 CD1 ILE 124 -6.322 -25.513 22.440 1.00 55.11 ATOM 1949 HD11 ILE 124 -7.008 -25.843 23.207 1.00 54.31 ATOM 1950 HD12 ILE 124 -5.365 -25.285 22.886 1.00 51.10 ATOM 1951 HD13 ILE 124 -6.198 -26.298 21.708 1.00 44.54 ATOM 1952 C ILE 124 -7.917 -20.711 22.913 1.00 4.11 ATOM 1953 O ILE 124 -9.087 -20.556 23.279 1.00 40.21 ATOM 1954 N GLY 125 -6.922 -19.937 23.352 1.00 34.33 ATOM 1955 HN GLY 125 -6.005 -20.122 23.060 1.00 37.19 ATOM 1956 CA GLY 125 -7.192 -18.828 24.267 1.00 62.12 ATOM 1957 HA1 GLY 125 -8.044 -19.086 24.883 1.00 37.19 ATOM 1958 HA2 GLY 125 -7.447 -17.957 23.681 1.00 2.41 ATOM 1959 C GLY 125 -6.018 -18.472 25.182 1.00 34.04 ATOM 1960 O GLY 125 -6.044 -18.763 26.382 1.00 14.41 ATOM 1961 N LEU 126 -4.982 -17.851 24.615 1.00 34.24 ATOM 1962 HN LEU 126 -4.977 -17.741 23.641 1.00 37.19 ATOM 1963 HA LEU 126 -4.007 -17.606 26.436 1.00 11.03 ATOM 1964 CB LEU 126 -2.515 -17.954 24.936 1.00 13.34 ATOM 1965 HB1 LEU 126 -1.705 -17.404 25.393 1.00 37.19 ATOM 1966 HB2 LEU 126 -2.444 -17.831 23.862 1.00 61.42 ATOM 1967 CG LEU 126 -2.323 -19.446 25.261 1.00 63.11 ATOM 1968 HG LEU 126 -3.041 -20.024 24.697 1.00 63.41 ATOM 1969 CD1 LEU 126 -0.926 -19.903 24.845 1.00 51.41 ATOM 1970 HD11 LEU 126 -0.805 -19.769 23.779 1.00 62.03 ATOM 1971 HD12 LEU 126 -0.799 -20.947 25.091 1.00 2.24 ATOM 1972 HD13 LEU 126 -0.182 -19.319 25.369 1.00 52.15 ATOM 1973 CD2 LEU 126 -2.557 -19.719 26.747 1.00 10.31 ATOM 1974 HD21 LEU 126 -3.566 -19.436 27.013 1.00 3.35 ATOM 1975 HD22 LEU 126 -1.856 -19.147 27.338 1.00 61.22 ATOM 1976 HD23 LEU 126 -2.418 -20.773 26.944 1.00 3.53 ATOM 1977 CA LEU 126 -3.843 -17.332 25.402 1.00 4.20 ATOM 1978 C LEU 126 -3.752 -15.794 25.319 1.00 73.51 ATOM 1979 OT1 LEU 126 -3.379 -15.269 24.245 1.00 37.19 ATOM 1980 OT2 LEU 126 -4.030 -15.121 26.335 1.00 37.19 ATOM 1981 OH2 TIP3 1 -7.206 -41.253 10.102 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -6.589 -41.964 9.827 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.652 -40.452 10.125 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.352 -38.964 11.940 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.829 -39.184 12.778 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -2.662 -38.334 12.218 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -5.354 -43.196 9.489 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -4.417 -43.024 9.348 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -5.407 -44.149 9.605 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -1.436 -42.445 10.755 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -1.593 -41.568 10.334 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -0.564 -42.701 10.444 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -13.132 -41.349 14.116 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.831 -41.568 15.029 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -13.459 -42.181 13.771 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -5.739 -38.838 10.466 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -4.909 -39.006 10.958 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -5.518 -38.091 9.878 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -1.901 -39.936 9.790 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -1.765 -39.091 9.328 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -2.497 -39.707 10.530 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -2.854 -42.855 15.900 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -2.297 -43.637 15.896 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -2.791 -42.512 14.981 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -7.826 -38.153 12.202 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.764 -38.863 12.878 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.233 -38.457 11.482 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.617 -36.477 9.384 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -4.542 -36.086 10.280 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -3.696 -36.727 9.158 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -2.495 -42.139 13.298 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -2.115 -42.352 12.417 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -3.083 -41.393 13.128 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -0.108 -42.004 21.495 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -0.639 -42.035 22.319 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -0.716 -41.663 20.834 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.815 -35.724 22.218 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.889 -35.806 21.901 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.127 -34.880 21.827 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -6.680 -42.313 17.305 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -6.679 -42.987 16.621 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.620 -42.039 17.368 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -3.039 -41.347 25.842 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -3.467 -40.685 26.428 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -3.654 -41.416 25.075 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -4.767 -38.017 19.490 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -4.713 -37.356 20.197 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -4.305 -38.784 19.846 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -4.809 -41.468 23.754 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -5.592 -41.237 24.296 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -5.156 -41.559 22.861 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 0.300 -45.348 26.591 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -0.503 -44.797 26.710 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -0.040 -46.198 26.245 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -1.874 -49.120 27.351 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -1.251 -48.684 26.733 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -1.475 -49.976 27.527 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -6.620 -40.718 25.678 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -5.960 -40.178 26.160 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -6.678 -41.547 26.207 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -10.382 -39.320 17.935 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -11.353 -39.436 18.019 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -10.150 -38.709 18.666 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -3.982 -38.669 16.854 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -3.968 -39.628 17.097 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -4.325 -38.230 17.660 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -1.254 -42.398 23.985 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -1.519 -43.307 24.165 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.775 -41.867 24.623 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -7.422 -39.716 14.446 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -7.934 -39.117 15.034 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -7.987 -40.514 14.374 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -4.220 -44.554 28.641 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -4.349 -44.100 29.503 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -4.294 -45.501 28.858 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -3.229 -36.877 14.801 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -2.383 -36.384 14.797 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -3.100 -37.577 15.474 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -12.631 -37.669 20.152 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -12.726 -37.284 21.047 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -11.699 -37.494 19.919 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.679 -39.509 14.222 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -4.407 -39.316 15.140 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -5.643 -39.695 14.293 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.196 -42.754 27.464 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -5.639 -43.531 27.645 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.051 -42.173 28.237 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.059 -35.136 14.366 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -1.059 -34.521 15.126 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -0.740 -34.583 13.615 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.169 -41.222 17.660 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -5.076 -41.600 17.618 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -3.635 -41.820 17.091 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -9.582 -41.383 14.247 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -9.523 -41.685 13.309 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -10.266 -40.681 14.225 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -12.230 -41.810 16.659 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -11.308 -42.008 16.901 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -12.524 -41.173 17.337 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -9.368 -41.688 16.979 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -9.429 -41.600 16.002 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -9.638 -40.807 17.320 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -13.100 -39.637 18.293 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -13.993 -39.552 17.941 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -13.067 -38.982 19.030 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -4.566 -43.136 31.087 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -5.153 -42.941 31.847 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.728 -43.438 31.504 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.439 -41.673 11.563 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -10.103 -41.613 10.873 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -8.585 -41.545 11.087 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -3.181 -47.244 28.840 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -2.937 -48.049 28.328 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -2.599 -46.560 28.492 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -2.293 -43.970 32.457 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -2.352 -44.687 33.120 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -1.910 -43.219 32.954 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -0.175 -47.914 25.552 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -0.479 -47.983 24.640 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 0.763 -48.229 25.516 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -2.134 -43.854 26.872 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -2.843 -44.123 27.492 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -2.427 -42.982 26.543 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -0.227 -45.453 30.494 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 0.565 -45.003 30.867 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.973 -44.918 30.813 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 1.801 -44.040 31.562 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 2.729 -44.162 31.265 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 1.823 -44.277 32.517 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.312 -35.298 28.752 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.392 -34.952 29.660 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -8.227 -35.246 28.394 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -6.999 -36.674 24.747 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -7.567 -37.467 24.753 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -7.314 -36.162 23.984 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -4.644 -39.588 27.305 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -4.967 -40.015 28.127 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -5.011 -38.671 27.350 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 0.009 -42.037 31.550 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 0.675 -42.731 31.368 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -0.047 -42.018 32.531 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -1.499 -41.913 39.921 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.680 -40.958 39.869 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -1.207 -42.053 40.848 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -5.992 -37.828 42.705 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -5.537 -38.108 41.879 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -5.500 -38.263 43.404 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -6.491 -41.502 38.017 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -5.609 -41.714 38.387 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -6.634 -40.565 38.266 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -0.760 -39.440 43.200 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -1.393 -38.874 42.694 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 0.117 -39.167 42.869 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -2.873 -39.666 38.674 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -3.308 -40.525 38.494 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -3.005 -39.151 37.848 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.920 -42.209 38.668 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.061 -42.377 39.114 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -4.164 -43.074 38.283 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -3.369 -45.964 37.283 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -4.232 -45.510 37.407 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -3.584 -46.915 37.342 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -1.231 -47.997 33.893 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -1.234 -47.894 32.911 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -1.782 -48.772 34.047 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.538 -38.758 38.331 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.988 -37.963 38.693 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.589 -38.638 37.361 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.522 -38.393 35.573 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -5.986 -39.143 35.253 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -6.019 -37.603 35.288 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.278 -40.441 31.770 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.477 -40.861 31.394 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -2.379 -40.872 32.646 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.591 -40.256 34.631 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -3.718 -40.724 34.567 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.233 -40.905 34.265 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -5.398 -44.148 37.305 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.184 -43.591 37.423 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.029 -43.865 36.437 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -7.591 -42.092 35.589 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -8.502 -41.725 35.616 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -7.222 -41.876 36.473 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.019 -43.510 35.057 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.565 -44.365 34.892 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -3.326 -42.833 34.871 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 1.848 -42.737 36.194 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 1.141 -42.451 35.579 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 1.395 -42.832 37.054 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -9.963 -40.769 35.914 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -9.793 -39.803 35.881 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -10.862 -40.840 36.244 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.216 -37.851 41.535 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.170 -37.877 41.349 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -1.830 -37.428 40.739 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.569 -41.021 29.535 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -6.057 -40.501 30.184 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -5.091 -41.689 30.073 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.919 -42.413 33.481 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.278 -42.963 33.985 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -6.708 -42.368 34.071 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -1.637 -47.712 31.197 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -1.007 -47.012 30.924 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.324 -47.695 30.505 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.241 -38.109 35.800 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -9.167 -37.322 36.375 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -8.311 -38.312 35.557 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 1.912 -39.107 42.418 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 2.169 -40.041 42.227 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 1.809 -38.698 41.521 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -0.249 -47.605 36.493 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 0.714 -47.501 36.676 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -0.306 -47.618 35.516 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 0.568 -43.182 38.610 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 0.110 -44.040 38.434 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -0.128 -42.625 39.018 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -2.533 -45.727 34.666 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -2.019 -46.514 34.387 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.664 -45.858 35.630 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -0.847 -45.429 38.125 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -0.455 -46.176 37.638 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -1.805 -45.500 37.934 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -3.633 -38.331 36.407 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.947 -39.083 35.864 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -3.696 -37.565 35.810 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -3.729 -38.340 32.807 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.129 -38.992 33.411 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -3.135 -38.878 32.241 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 0.235 -33.354 9.345 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -0.525 -32.742 9.232 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 0.791 -33.188 8.555 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 3.730 -31.341 9.679 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 3.650 -31.619 10.628 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 2.816 -31.080 9.430 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.982 -25.850 7.229 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.910 -26.791 7.438 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -2.523 -25.822 6.436 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 1.701 -23.706 -5.499 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 1.584 -22.969 -6.146 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 0.880 -24.234 -5.590 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -0.591 -21.895 10.674 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -1.008 -22.662 10.210 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -1.354 -21.388 11.031 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -8.696 -25.394 15.175 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -9.080 -24.536 14.908 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -8.215 -25.189 16.002 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -2.350 -31.739 11.669 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.164 -31.610 10.714 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -2.322 -30.831 12.043 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -6.053 -34.762 7.707 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -5.625 -35.413 8.307 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -6.368 -35.293 6.970 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -5.522 -30.337 9.065 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -5.055 -31.187 8.922 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -6.467 -30.580 9.011 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -2.782 -23.407 14.515 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -3.205 -24.228 14.841 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -2.147 -23.725 13.833 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -6.911 -26.930 13.775 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -6.481 -27.082 14.637 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -7.735 -26.450 14.007 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -7.237 -23.213 12.646 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -7.879 -23.244 13.382 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -7.178 -22.270 12.427 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.202 -24.511 12.553 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -0.433 -25.078 12.318 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.936 -24.883 12.026 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -3.140 -25.756 10.936 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -3.952 -25.381 11.351 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -3.399 -26.660 10.694 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -1.431 -19.644 -3.421 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -0.978 -18.936 -3.930 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -2.364 -19.409 -3.470 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -1.922 -31.632 8.959 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -2.750 -32.135 8.770 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -2.097 -30.739 8.597 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -9.983 -22.622 18.095 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -9.090 -22.316 17.816 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -10.578 -21.922 17.793 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.965 -26.699 16.380 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -6.441 -26.002 16.891 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.721 -27.363 17.048 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -5.457 -25.275 12.228 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -6.053 -25.944 12.632 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.002 -24.452 12.215 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -3.188 -28.532 14.968 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -2.824 -28.711 14.072 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -3.344 -27.562 14.971 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -6.494 -33.047 13.498 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.645 -32.376 14.188 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -5.539 -33.244 13.564 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -4.430 -28.303 10.659 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -5.158 -27.902 11.159 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -4.855 -29.052 10.177 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -4.358 -32.817 8.761 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -4.750 -33.038 9.636 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -4.840 -33.398 8.136 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -4.004 -35.562 11.932 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -3.937 -34.839 12.599 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -3.176 -36.066 12.050 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -5.800 -33.596 10.942 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -5.286 -34.366 11.248 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -6.265 -33.285 11.752 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -7.372 -32.477 8.948 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.248 -33.150 8.263 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -6.989 -32.883 9.749 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -9.425 -38.266 15.600 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -9.689 -38.553 16.498 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.182 -38.534 15.033 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 1.569 -21.382 9.052 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 0.748 -21.506 9.581 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 1.537 -20.441 8.778 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.758 -33.286 13.407 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.560 -32.755 14.204 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -3.335 -32.781 12.675 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 0.029 -21.781 -2.679 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -0.557 -22.513 -2.901 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -0.540 -20.979 -2.781 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -2.406 -20.324 11.994 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -3.200 -20.692 12.433 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -2.179 -19.547 12.535 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 1.568 -25.805 -3.632 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 2.022 -25.058 -4.056 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 0.702 -25.846 -4.094 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -2.304 -29.070 12.357 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -2.976 -28.738 11.731 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -1.447 -28.849 11.930 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -3.081 -29.113 8.348 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -3.949 -29.509 8.156 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -3.247 -28.546 9.119 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -1.416 -36.731 12.109 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -0.621 -36.460 11.592 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -1.271 -36.334 12.993 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -7.044 -20.369 13.102 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -7.045 -20.509 14.074 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -6.106 -20.407 12.862 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -4.347 -21.171 13.898 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -4.996 -20.985 14.616 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -3.986 -22.053 14.125 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -1.882 -37.123 9.414 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -1.905 -37.068 10.389 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -1.004 -36.771 9.183 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -11.342 -39.293 14.019 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -12.135 -39.871 13.952 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.316 -38.816 13.159 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -1.312 -21.067 14.690 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -1.951 -21.811 14.732 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -1.864 -20.287 14.501 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.715 -29.744 22.099 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.682 -28.789 21.983 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.004 -30.082 21.521 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.719 -25.175 21.871 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -10.403 -25.758 21.144 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -10.905 -24.324 21.423 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -13.136 -21.297 18.688 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -13.511 -20.576 19.225 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -12.701 -21.870 19.332 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -8.683 -27.562 26.858 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -9.392 -26.894 26.824 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.867 -27.031 26.959 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -13.367 -25.526 22.674 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -13.454 -26.156 23.409 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -12.448 -25.639 22.370 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -10.396 -29.346 28.125 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -10.782 -28.547 28.538 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -9.606 -29.008 27.654 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -12.619 -26.844 25.146 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -13.040 -26.656 26.006 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -12.036 -26.071 24.991 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -8.530 -38.974 24.820 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -9.070 -38.875 25.615 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -7.870 -39.666 25.061 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -7.308 -29.497 18.129 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -6.342 -29.392 18.026 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -7.415 -29.891 19.023 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -6.013 -31.228 15.576 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -6.080 -30.289 15.800 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -5.047 -31.394 15.534 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -11.102 -24.636 24.597 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -11.133 -23.654 24.591 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -10.828 -24.871 23.683 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -11.977 -29.490 25.640 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.222 -28.571 25.402 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.460 -29.398 26.457 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.260 -26.869 28.962 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -10.767 -26.207 28.424 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -12.191 -26.759 28.672 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -4.668 -29.164 17.266 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -4.200 -29.930 17.661 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -4.111 -28.913 16.499 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -6.799 -25.581 26.843 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -6.292 -25.500 27.662 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -7.261 -24.718 26.763 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -14.340 -20.393 22.800 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -14.054 -21.312 22.587 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -14.289 -20.352 23.774 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -5.895 -37.148 27.252 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -6.328 -36.504 27.858 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -6.213 -36.887 26.363 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -3.268 -31.346 15.297 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -3.050 -30.396 15.202 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -2.464 -31.741 15.679 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -11.081 -31.364 23.869 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -10.723 -30.752 23.186 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -11.524 -30.766 24.516 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -10.647 -31.138 34.385 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -10.688 -32.050 34.009 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -11.256 -31.166 35.129 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -10.739 -37.788 11.827 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -10.963 -37.134 11.161 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -9.763 -37.820 11.815 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.970 -36.465 22.584 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.141 -36.984 22.576 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -11.704 -35.595 22.941 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -8.203 -31.905 17.064 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -8.187 -31.069 17.563 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -7.469 -31.810 16.423 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -0.893 -14.922 26.458 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -1.835 -14.689 26.417 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -0.626 -14.995 25.522 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -9.077 -33.429 21.220 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -8.803 -33.023 22.077 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -10.030 -33.543 21.309 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -10.878 -34.183 23.780 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.305 -33.300 23.814 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -9.927 -33.984 23.889 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.249 -26.267 19.425 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.694 -26.795 18.806 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.946 -25.911 18.865 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -6.617 -27.925 24.899 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -7.480 -28.143 25.279 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -6.426 -27.041 25.242 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.528 -31.633 31.856 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.248 -31.493 31.199 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.981 -31.596 32.714 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.296 -21.930 24.232 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -11.849 -22.011 23.432 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.565 -21.332 23.961 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -11.379 -22.933 20.376 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.929 -23.145 19.526 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -11.047 -22.026 20.596 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -10.143 -25.196 27.094 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.522 -24.960 26.220 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.481 -24.489 27.263 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.258 -18.086 21.927 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.948 -17.819 21.280 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -9.586 -17.378 21.867 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -8.937 -27.420 17.384 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -8.849 -27.202 16.444 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -8.388 -28.226 17.502 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -7.394 -24.593 17.464 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -7.323 -23.619 17.332 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -8.050 -24.687 18.171 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -7.857 -31.000 20.386 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.047 -31.422 20.749 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -8.477 -31.745 20.279 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.594 -32.590 23.730 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.291 -31.960 24.004 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -7.763 -32.209 24.098 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -10.369 -20.470 20.590 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -9.543 -20.424 20.063 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -10.275 -19.743 21.242 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.184 -34.413 17.102 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -8.835 -33.489 17.131 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.132 -34.308 17.212 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.202 -25.600 30.010 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -6.352 -26.544 30.251 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -5.252 -25.563 29.754 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -9.624 -27.455 31.202 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.152 -27.140 30.439 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.282 -27.652 31.878 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -4.007 -25.866 14.699 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -4.749 -26.057 15.317 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -4.449 -25.643 13.857 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -11.236 -36.269 25.619 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -11.073 -35.495 25.044 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.859 -36.806 25.119 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -10.590 -31.393 30.062 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.552 -31.386 30.101 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -10.376 -30.779 29.324 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.911 -35.353 27.895 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -10.389 -35.722 27.123 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -10.589 -35.261 28.575 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.931 -33.665 33.452 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.861 -34.024 32.545 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -10.966 -34.459 34.022 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.501 -34.279 30.730 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.563 -34.526 30.869 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.458 -33.365 30.401 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -15.877 -36.856 35.699 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -15.019 -36.451 35.932 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -16.088 -36.486 34.844 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -9.335 -19.859 16.130 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -8.754 -20.530 16.544 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.721 -19.136 15.884 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -13.715 -26.370 27.678 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -14.558 -26.830 27.762 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -13.961 -25.482 27.316 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -8.222 -23.251 27.346 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -8.187 -23.304 28.332 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -8.167 -22.285 27.161 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.996 -20.496 27.255 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.211 -19.974 27.016 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.673 -19.825 27.463 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -13.559 -20.874 25.516 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -12.727 -21.279 25.189 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.262 -20.052 25.967 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -13.226 -22.809 22.350 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -13.526 -23.725 22.553 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -12.698 -22.911 21.530 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.536 -37.785 22.523 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -8.882 -37.050 22.520 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -9.239 -38.365 23.258 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.880 -37.376 19.826 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -9.226 -36.687 19.651 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -9.715 -37.635 20.760 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -4.737 -36.475 34.519 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -4.347 -36.947 33.745 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -4.305 -35.593 34.506 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -4.875 -26.288 38.162 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -5.650 -26.410 37.583 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -4.853 -25.326 38.337 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -0.367 -25.525 40.556 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -0.499 -24.555 40.516 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -1.042 -25.829 41.203 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 0.250 -33.846 41.005 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -0.619 -34.104 40.660 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 0.330 -32.898 40.769 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -2.647 -31.454 38.721 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -1.845 -31.912 38.425 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -2.395 -30.509 38.721 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -6.997 -26.935 36.319 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -7.125 -27.383 35.456 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -7.910 -26.885 36.701 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -7.301 -36.316 39.260 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -7.511 -36.113 40.203 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -6.396 -35.970 39.136 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.964 -29.529 37.089 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -6.273 -28.611 37.126 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.721 -29.661 36.159 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -6.105 -30.586 30.975 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -5.461 -31.278 30.757 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -6.883 -31.078 31.311 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -4.324 -23.589 38.663 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -3.432 -23.303 38.396 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.271 -23.645 39.646 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -3.231 -21.236 35.824 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -4.133 -21.525 36.086 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -3.363 -20.795 34.972 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.741 -20.187 38.652 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -5.443 -19.533 38.664 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -5.077 -20.889 38.064 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.821 -34.276 31.414 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -7.958 -33.314 31.521 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -7.494 -34.568 32.293 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.340 -31.981 38.151 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.623 -31.070 37.916 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.432 -31.865 38.500 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -3.291 -27.505 40.094 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -3.961 -27.123 39.484 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -2.761 -28.094 39.526 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -13.457 -35.642 36.215 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -13.227 -35.595 37.145 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.593 -35.646 35.754 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.720 -24.250 35.248 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.923 -24.410 34.303 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -6.860 -25.115 35.670 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -7.228 -28.306 33.868 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -7.099 -28.043 32.933 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -6.517 -28.963 34.030 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -1.325 -25.256 36.361 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -2.004 -25.899 36.612 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -1.074 -25.516 35.444 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -7.312 -25.068 32.603 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -8.152 -25.532 32.495 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -6.810 -25.296 31.801 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -6.926 -34.712 34.029 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -6.322 -35.464 34.121 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -6.841 -34.235 34.878 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.657 -22.178 36.765 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.328 -22.767 37.480 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.160 -22.783 36.171 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -6.393 -34.119 36.751 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -5.840 -34.809 37.169 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -6.134 -33.289 37.220 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -8.752 -35.632 37.030 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.417 -35.884 37.918 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.116 -34.953 36.724 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -2.355 -26.283 42.284 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -2.748 -26.785 41.521 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -2.676 -26.749 43.062 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -8.023 -23.592 29.992 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -7.953 -23.227 30.881 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -7.349 -24.305 29.971 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -6.913 -27.969 31.132 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -6.672 -28.918 31.005 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -7.892 -27.951 31.027 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -9.604 -26.898 36.964 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -10.413 -26.889 37.481 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -9.826 -27.441 36.174 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -9.809 -28.515 34.764 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -8.902 -28.484 34.396 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -10.103 -29.436 34.599 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -3.446 -23.921 41.219 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -2.616 -23.432 41.077 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -3.177 -24.708 41.723 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -2.625 -20.462 40.258 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -3.007 -20.253 41.136 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -3.381 -20.344 39.631 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -4.705 -38.584 40.406 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -5.446 -38.638 39.766 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.941 -38.957 39.915 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.710 -35.880 41.928 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -7.130 -36.596 42.280 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -7.880 -35.321 42.688 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.779 -36.105 37.947 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -4.679 -37.041 37.707 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.878 -35.741 37.860 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -10.858 -35.826 35.246 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -10.617 -36.741 35.020 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -10.165 -35.550 35.884 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -1.781 -22.835 37.531 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -1.660 -23.655 37.000 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.244 -22.215 36.917 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -2.409 -13.371 15.350 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -2.627 -12.502 15.006 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -3.213 -13.907 15.177 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -4.051 -16.925 13.487 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.935 -17.245 13.277 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -4.206 -16.061 13.918 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -7.250 -18.078 15.585 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -6.744 -18.913 15.728 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -6.758 -17.405 16.102 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -8.915 -22.626 14.767 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -9.445 -21.822 14.668 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -8.342 -22.439 15.548 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -8.540 -17.905 13.206 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -8.265 -18.753 12.823 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -8.060 -17.864 14.060 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 0.701 -18.948 13.050 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -0.105 -18.624 13.504 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 1.382 -18.268 13.252 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 0.204 -18.833 10.309 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -0.697 -19.180 10.310 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 0.467 -18.845 11.251 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -7.857 -14.209 25.758 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -8.750 -14.143 25.356 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -7.257 -14.331 24.990 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.570 -12.925 26.636 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -6.405 -13.310 26.314 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -4.901 -13.621 26.447 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -11.267 -14.991 20.970 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -11.945 -14.429 20.534 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.682 -15.877 20.998 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -12.453 -18.435 26.311 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -12.213 -17.512 26.524 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -12.359 -18.486 25.328 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 0.390 -10.049 29.310 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 0.942 -9.791 28.537 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 0.230 -10.991 29.177 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -7.514 -12.683 22.098 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -6.921 -13.098 22.757 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -8.235 -12.298 22.635 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -3.656 -14.258 28.804 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -3.847 -14.592 27.887 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.597 -13.298 28.696 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -1.839 -16.127 29.653 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -2.520 -15.464 29.389 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -1.117 -15.990 29.020 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -12.272 -18.738 23.668 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.480 -18.568 23.114 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -12.925 -19.099 23.047 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -8.472 -14.641 16.188 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -9.058 -15.074 15.527 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -9.038 -14.542 16.980 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -9.533 -10.598 26.145 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -8.677 -10.662 26.619 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -10.187 -10.448 26.854 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -6.165 -16.497 22.131 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -7.126 -16.340 21.976 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -5.952 -17.264 21.554 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -10.011 -9.371 30.353 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -9.195 -9.036 29.912 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -9.775 -9.414 31.283 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -10.393 -13.751 24.876 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -10.784 -13.327 25.665 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -10.198 -13.002 24.272 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -10.114 -16.092 14.562 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -9.619 -16.612 13.894 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -10.739 -16.734 14.946 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -6.006 -14.275 23.733 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -5.075 -14.279 24.045 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -6.064 -15.063 23.153 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -11.188 -15.922 26.607 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -10.992 -15.548 25.729 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -11.278 -15.141 27.180 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -9.726 -14.729 18.642 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -8.824 -14.511 18.967 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -10.278 -14.705 19.446 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -9.505 -11.481 23.599 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -9.720 -10.724 23.045 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -9.467 -11.107 24.514 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -13.158 -14.235 19.200 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -13.934 -13.908 18.742 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -12.805 -14.934 18.609 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -11.051 -13.136 27.502 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -11.322 -12.230 27.763 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -10.107 -13.186 27.766 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -6.298 -14.384 29.727 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -6.347 -15.219 30.233 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -5.358 -14.313 29.476 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.843 -14.619 14.811 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -5.651 -14.190 14.499 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -5.133 -15.119 15.610 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -4.746 -14.868 19.148 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -4.314 -15.005 20.016 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -4.062 -15.153 18.496 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -0.396 -14.618 16.675 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.001 -14.157 16.048 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -0.519 -14.135 17.522 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -4.899 -17.966 28.702 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -5.360 -18.429 27.971 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -4.580 -17.150 28.296 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -6.144 -15.873 16.858 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -5.868 -15.564 17.742 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -7.003 -15.408 16.696 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -7.349 -14.179 19.878 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -7.353 -13.500 20.597 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -6.401 -14.272 19.640 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -8.447 -13.559 28.344 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -7.703 -13.845 28.935 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -8.200 -13.921 27.460 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -11.884 -16.304 17.860 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.023 -15.838 17.930 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -11.751 -16.942 17.124 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -12.334 -17.460 20.324 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -13.040 -18.141 20.265 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -12.229 -17.144 19.401 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -7.285 -11.092 27.711 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.694 -11.843 28.182 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.494 -11.487 27.280 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.803 -16.988 29.873 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.193 -17.535 29.166 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -9.453 -16.265 30.004 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -9.947 -18.297 27.629 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -10.109 -17.397 27.286 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -10.747 -18.790 27.376 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -11.346 -10.493 28.295 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -10.862 -10.169 29.096 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -12.117 -9.919 28.240 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.161 -10.330 30.301 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -1.338 -9.953 29.940 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.982 -10.436 31.238 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -7.661 -8.789 29.125 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -7.498 -9.601 28.595 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -6.842 -8.293 29.052 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -16.001 -21.855 26.273 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -15.153 -21.444 25.992 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -16.581 -21.108 26.442 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -10.403 -14.765 29.907 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -9.690 -14.248 29.485 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -11.210 -14.312 29.644 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -6.311 -16.914 30.839 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -5.845 -17.433 30.149 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -7.268 -16.998 30.597 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.967 -16.728 33.219 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -5.186 -15.830 33.478 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -5.476 -16.868 32.388 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -14.420 -24.117 26.378 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -15.181 -23.498 26.393 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -13.717 -23.612 25.955 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.174 -13.312 18.944 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -2.089 -13.013 18.864 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.679 -12.501 19.219 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -3.638 -15.553 21.595 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -4.514 -15.980 21.641 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -3.424 -15.351 22.540 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 1.744 -9.506 31.612 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 1.079 -9.693 30.921 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 2.482 -9.098 31.121 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 5.062 -12.626 27.460 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 4.631 -11.891 27.952 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 5.923 -12.254 27.187 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -1.900 -18.416 14.093 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -1.885 -18.300 15.067 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -2.623 -17.809 13.793 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -2.774 -15.847 17.553 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -2.691 -16.787 17.320 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -1.940 -15.450 17.244 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 1.218 -15.635 28.058 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 1.853 -15.885 27.355 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.444 -15.289 27.563 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -1.759 -18.440 16.895 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -0.853 -18.328 17.213 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.045 -19.283 17.280 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -14.345 -19.348 20.304 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -15.275 -19.250 20.073 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -14.362 -19.714 21.220 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -8.715 -15.798 21.596 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -8.239 -15.232 20.951 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -9.613 -15.402 21.639 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -11.465 -18.183 15.885 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -10.698 -18.787 16.035 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -12.196 -18.778 15.685 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -0.818 -20.569 31.690 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.232 -21.450 31.615 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -1.436 -19.972 31.215 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.947 -18.619 33.568 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -2.782 -18.744 32.616 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -3.690 -17.975 33.596 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -0.964 -14.972 32.037 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -0.376 -14.363 31.567 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -1.363 -15.516 31.324 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 0.508 -11.777 32.995 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 0.989 -10.981 32.699 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 1.200 -12.465 33.057 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -2.628 -18.638 30.673 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -2.231 -17.792 30.370 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -3.466 -18.694 30.179 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -1.417 -18.886 35.914 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -1.929 -19.621 36.285 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -1.843 -18.715 35.046 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -0.427 -19.114 41.174 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.170 -19.441 40.628 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 0.357 -19.558 40.799 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 0.590 -16.198 33.954 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 0.172 -15.956 34.808 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -0.019 -15.829 33.276 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 7.042 -36.079 11.795 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 6.284 -35.462 11.875 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 7.324 -35.985 10.862 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 17.133 -40.536 13.503 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 17.009 -40.078 14.360 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 16.387 -41.183 13.468 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 8.954 -38.039 11.645 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 9.557 -37.388 11.233 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.131 -37.528 11.805 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 11.393 -39.293 11.558 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 10.439 -39.068 11.604 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 11.614 -39.210 10.609 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 12.313 -38.343 9.115 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 13.199 -38.087 9.457 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 12.505 -38.842 8.312 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 5.530 -41.195 14.118 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 6.331 -40.779 13.739 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 4.852 -40.512 14.040 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 5.233 -38.255 13.881 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 6.112 -38.622 13.643 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 5.159 -37.455 13.350 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 12.624 -40.512 13.696 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 11.964 -41.010 14.223 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 12.122 -40.201 12.911 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 12.296 -43.805 18.241 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 11.450 -43.508 17.858 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 12.767 -42.960 18.474 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 22.089 -39.513 10.132 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 22.583 -40.147 10.680 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 22.268 -38.648 10.551 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 17.070 -38.737 11.371 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 17.898 -39.018 10.912 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 16.999 -39.358 12.129 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 13.680 -43.244 15.826 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 14.333 -42.606 16.195 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 13.454 -43.812 16.582 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 19.383 -39.759 10.426 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 20.312 -39.622 10.143 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 19.450 -40.435 11.135 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 12.997 -37.076 11.972 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 12.320 -37.774 11.864 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 13.778 -37.428 11.493 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 14.636 -38.582 13.969 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 14.117 -39.399 13.827 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 15.334 -38.849 14.600 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 5.012 -34.233 11.415 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 4.504 -33.565 11.937 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 5.619 -33.692 10.873 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 3.280 -35.879 9.994 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.734 -35.737 9.162 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 3.796 -35.352 10.641 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 14.876 -37.728 10.099 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 15.278 -36.936 9.695 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 15.642 -38.199 10.516 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 14.890 -42.057 13.603 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 14.077 -41.527 13.500 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 14.638 -42.751 14.238 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 8.542 -46.445 22.502 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 8.159 -46.426 21.594 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 8.047 -47.153 22.955 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 3.826 -48.014 27.486 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 3.091 -47.575 27.976 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 4.612 -47.534 27.763 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 11.174 -51.442 25.399 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 10.836 -52.022 26.087 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 11.716 -50.782 25.885 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 7.061 -48.156 24.124 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 7.597 -48.431 24.877 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 6.556 -47.380 24.460 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 7.805 -46.273 19.900 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 7.043 -46.374 19.288 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 8.565 -46.121 19.310 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 15.854 -47.461 28.393 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 15.401 -46.869 27.752 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 16.241 -48.161 27.832 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 11.007 -46.272 21.409 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 10.116 -46.159 21.816 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 11.407 -45.374 21.448 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 17.268 -45.640 29.886 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 17.700 -45.148 29.148 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 16.743 -46.332 29.434 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 4.377 -48.577 23.335 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 4.345 -47.995 22.548 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 5.331 -48.685 23.510 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 5.659 -46.051 25.039 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 5.626 -45.478 24.255 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 4.726 -46.096 25.338 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 7.441 -46.204 27.148 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 8.293 -46.200 26.665 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 6.769 -46.107 26.444 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 10.418 -45.854 18.778 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 11.273 -45.435 18.567 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 10.551 -46.223 19.678 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 5.819 -42.860 32.549 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 5.304 -42.067 32.756 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 5.194 -43.427 32.044 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 15.424 -41.517 17.004 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 14.767 -41.365 17.734 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 15.680 -40.619 16.721 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 19.147 -47.420 33.980 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 18.732 -46.663 33.508 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 19.979 -47.059 34.319 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 20.232 -48.280 30.040 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 20.828 -48.986 29.767 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 20.044 -47.788 29.206 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 11.158 -42.281 15.362 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 10.603 -42.950 15.818 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 12.073 -42.627 15.454 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 6.372 -45.766 29.621 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 6.456 -46.607 30.123 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 6.790 -45.963 28.750 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 13.433 -48.548 32.503 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 13.855 -48.772 31.644 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 13.657 -49.305 33.084 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.349 -47.851 23.592 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 11.246 -47.325 22.768 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.350 -48.784 23.279 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 4.385 -44.645 31.062 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 4.994 -45.061 30.411 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 4.058 -45.403 31.603 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 9.685 -46.282 25.522 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 9.940 -46.644 24.653 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 10.319 -46.701 26.151 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 11.474 -47.332 27.275 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 11.544 -47.293 28.251 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 11.838 -48.211 27.047 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 3.112 -47.514 19.037 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 3.457 -47.281 19.924 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 2.736 -48.390 19.152 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 13.143 -45.180 28.623 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 13.102 -46.003 29.145 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 13.750 -45.392 27.886 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 2.890 -45.822 25.339 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 2.662 -46.773 25.295 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 2.132 -45.417 25.801 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 1.818 -46.551 28.622 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 1.346 -46.037 27.937 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 1.312 -46.385 29.431 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 11.003 -45.302 32.832 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 11.970 -45.228 32.641 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 10.614 -44.508 32.419 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 12.839 -49.676 26.632 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 13.317 -49.191 25.925 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 13.552 -50.121 27.142 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 3.834 -44.707 23.021 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 3.257 -43.921 22.903 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 3.467 -45.148 23.816 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 4.511 -46.730 21.279 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 4.297 -45.922 21.802 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 5.263 -46.464 20.724 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 7.628 -39.556 13.494 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 8.198 -39.143 12.814 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 8.247 -39.771 14.225 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 5.552 -46.379 18.422 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 4.645 -46.757 18.420 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 5.516 -45.669 17.767 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 14.299 -49.034 29.985 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 14.395 -49.809 29.393 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 14.906 -48.366 29.596 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 9.659 -43.918 17.065 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 8.687 -43.816 17.128 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 9.848 -44.710 17.615 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 12.041 -47.417 29.951 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 12.774 -48.050 30.096 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 11.402 -47.624 30.665 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 8.388 -36.236 14.478 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 7.848 -35.782 15.163 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 7.937 -36.029 13.642 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 16.651 -52.278 29.433 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 16.505 -51.819 30.294 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 17.598 -52.438 29.410 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 13.855 -48.173 24.581 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 14.248 -48.429 23.737 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 12.922 -47.937 24.348 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 6.927 -43.678 17.744 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 6.855 -42.813 17.281 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 6.644 -43.487 18.646 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 1.774 -42.847 23.311 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 1.117 -42.779 24.013 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 1.297 -42.544 22.508 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 10.261 -37.727 15.786 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 9.544 -37.216 15.341 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 9.916 -38.650 15.809 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 9.334 -40.272 15.538 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 8.577 -40.668 16.019 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 10.008 -40.987 15.523 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 3.285 -46.328 32.904 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 3.885 -46.786 33.515 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 2.610 -45.921 33.487 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 7.486 -43.272 30.230 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 7.025 -43.039 31.058 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 7.107 -44.141 29.984 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 17.025 -43.721 17.370 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 16.451 -42.958 17.135 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 17.096 -43.673 18.354 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 18.322 -49.044 31.901 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 18.578 -48.583 32.726 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 18.989 -48.750 31.247 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 6.327 -48.093 31.092 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 7.096 -48.531 31.523 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 5.823 -48.820 30.711 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 16.017 -54.958 31.393 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 16.227 -55.875 31.193 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 15.858 -54.554 30.531 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 15.649 -53.027 33.316 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 15.732 -53.877 32.835 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 16.151 -52.396 32.767 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 12.205 -43.828 21.059 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.229 -42.844 21.146 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 12.337 -43.979 20.107 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 17.851 -41.529 24.415 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 16.992 -41.755 23.994 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 18.444 -41.379 23.675 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 17.645 -47.544 20.216 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 17.737 -47.032 19.379 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 17.581 -48.457 19.926 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 11.687 -50.466 22.912 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 11.492 -50.847 23.800 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 11.421 -51.154 22.297 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 2.433 -48.559 25.228 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 3.080 -48.720 24.498 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 2.983 -48.587 26.047 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 18.484 -45.395 32.276 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 19.379 -45.403 31.887 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 17.888 -45.526 31.498 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.015 -50.727 27.903 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 15.656 -50.319 27.284 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 15.537 -51.421 28.367 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 5.929 -38.727 16.548 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 5.457 -38.035 17.055 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 5.666 -38.562 15.621 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 6.917 -41.255 16.471 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 6.618 -40.338 16.680 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 6.397 -41.496 15.672 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 8.393 -44.667 38.799 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 7.881 -45.485 38.965 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 9.200 -44.788 39.308 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 12.513 -44.969 41.765 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 12.809 -44.048 41.621 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 11.730 -44.880 42.326 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 12.384 -39.512 40.646 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 12.844 -39.768 41.468 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 12.932 -39.914 39.927 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 3.340 -43.018 44.145 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 3.547 -43.960 44.268 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 2.785 -42.795 44.921 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -2.728 -48.689 36.987 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -1.837 -48.309 36.817 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -2.550 -49.514 37.441 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 2.363 -47.150 37.182 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.683 -47.156 38.092 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 3.059 -46.671 36.689 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 7.440 -45.233 41.897 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 6.473 -45.072 41.948 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 7.838 -44.355 42.082 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 4.699 -45.075 41.648 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 4.022 -44.380 41.597 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 4.701 -45.467 40.749 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 7.395 -47.732 43.112 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 6.502 -47.602 43.502 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 7.654 -46.841 42.814 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 4.857 -46.891 43.775 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 4.794 -46.313 42.993 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 4.112 -46.604 44.340 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 13.591 -40.517 42.995 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 13.509 -41.176 43.714 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 13.996 -39.737 43.432 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 7.102 -46.933 39.771 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 7.294 -47.874 39.995 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 7.264 -46.451 40.611 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 11.185 -44.064 35.287 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 10.299 -43.831 35.617 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 11.011 -44.618 34.501 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 16.516 -44.021 38.242 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 16.441 -43.032 38.223 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 15.640 -44.317 38.570 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 4.693 -45.985 36.186 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 5.208 -45.215 35.853 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 4.981 -46.725 35.612 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.632 -49.366 40.956 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 7.630 -50.278 41.252 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 7.584 -48.844 41.789 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 13.740 -42.470 41.031 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 13.875 -41.929 40.206 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 13.649 -41.796 41.739 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.592 -44.881 36.410 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 13.615 -44.539 37.332 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 12.742 -44.542 36.048 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 5.604 -47.518 34.101 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 6.229 -46.812 33.880 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 5.773 -48.199 33.435 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 0.506 -40.149 45.598 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 -0.129 -39.945 44.881 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 1.144 -39.409 45.566 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 17.168 -40.431 44.638 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 16.930 -40.067 43.766 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 16.333 -40.406 45.147 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 8.529 -42.795 42.642 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 8.671 -41.910 43.023 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 9.011 -43.396 43.253 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 14.972 -48.419 39.528 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 14.907 -47.890 40.342 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 14.279 -48.043 38.941 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 12.556 -38.820 48.631 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 12.578 -38.854 47.647 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.470 -38.590 48.877 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 14.256 -49.092 35.922 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 14.325 -49.769 35.227 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 15.172 -48.989 36.250 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 13.300 -47.289 37.714 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 13.409 -46.473 37.188 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 13.458 -48.012 37.067 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 2.934 -43.578 39.928 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 2.094 -43.433 39.431 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.386 -44.280 39.428 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 13.771 -42.519 44.940 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 14.386 -42.005 45.503 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 14.364 -43.067 44.374 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 19.216 -48.771 39.265 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 19.247 -49.132 38.366 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 18.657 -47.975 39.184 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 14.540 -46.825 41.798 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 14.284 -47.375 42.545 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 13.829 -46.143 41.747 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 1.505 -44.602 34.220 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 0.703 -44.041 34.125 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 1.947 -44.242 35.016 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 6.767 -39.911 43.524 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 7.604 -40.148 43.976 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 6.254 -39.432 44.203 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 15.360 -43.727 42.983 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 14.962 -43.304 42.202 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 16.088 -44.262 42.620 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 16.560 -37.318 45.804 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 15.875 -37.702 45.199 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 17.392 -37.401 45.301 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 1.497 -42.578 46.191 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 1.323 -42.696 47.130 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 1.124 -41.684 45.987 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 6.521 -44.249 34.936 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 6.343 -43.740 34.118 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 7.312 -43.821 35.315 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 11.096 -42.163 45.834 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 11.063 -41.702 46.700 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 12.057 -42.256 45.645 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 4.731 -45.778 38.953 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 5.558 -46.272 39.159 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 4.673 -45.809 37.974 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 8.312 -49.214 32.602 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 8.424 -49.575 33.486 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 9.174 -48.776 32.410 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 10.753 -47.978 32.325 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 11.675 -48.233 32.546 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 10.691 -47.037 32.610 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 18.732 -37.673 43.897 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 18.058 -38.216 43.434 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 19.256 -37.279 43.175 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 17.017 -45.590 41.550 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 17.381 -45.919 40.703 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 16.170 -46.074 41.649 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 16.724 -38.863 42.389 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 16.451 -38.627 41.480 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 15.948 -38.612 42.942 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 16.030 -43.857 35.468 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 16.370 -43.770 36.377 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 15.164 -44.297 35.583 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 13.944 -44.507 39.111 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 13.827 -43.812 39.791 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 13.446 -45.263 39.457 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 14.009 -50.930 33.832 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 13.168 -51.342 34.065 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 14.636 -51.691 33.765 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 16.585 -48.496 37.341 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 16.072 -48.743 38.146 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 16.854 -47.579 37.510 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 2.756 -45.681 45.044 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 1.940 -45.295 44.650 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 2.465 -46.034 45.888 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 9.912 -44.242 44.493 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 10.379 -43.570 45.038 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 9.580 -44.879 45.135 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 12.547 -39.004 45.956 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.749 -39.153 45.423 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 12.963 -38.207 45.544 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 0.549 -44.270 44.186 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 0.080 -43.784 43.485 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 0.743 -43.590 44.858 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 2.395 -41.753 41.919 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 2.780 -42.192 42.716 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 2.607 -42.368 41.181 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.703 -39.433 41.343 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.933 -39.056 42.210 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 10.574 -39.565 40.906 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 -0.320 -42.056 42.428 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 -0.594 -41.195 42.808 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 0.629 -41.936 42.222 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 14.909 -40.377 46.281 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 14.063 -39.935 46.052 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 15.233 -39.875 47.053 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 11.004 -24.532 -14.552 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 11.128 -25.267 -15.161 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 10.200 -24.078 -14.886 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 5.427 -25.668 -12.209 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 4.785 -24.976 -11.940 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 5.062 -26.500 -11.831 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 16.735 -29.769 -15.133 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 16.988 -30.431 -15.786 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.171 -28.942 -15.447 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 3.233 -23.798 -14.082 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 3.298 -24.601 -14.640 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 3.421 -23.055 -14.705 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 8.754 -21.512 -13.392 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 8.140 -21.051 -12.793 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 9.594 -21.562 -12.882 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 10.308 -30.643 -11.376 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 10.636 -30.636 -10.447 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 11.015 -31.105 -11.875 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 7.636 -31.087 -12.046 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 7.559 -32.069 -12.056 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 8.571 -30.925 -11.793 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 18.593 -34.209 -11.860 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 18.102 -33.613 -11.254 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 19.178 -33.615 -12.354 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 8.714 -23.282 -15.471 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 8.977 -22.769 -16.269 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 8.644 -22.600 -14.762 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 10.873 -21.812 -11.698 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 11.649 -22.344 -11.980 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 11.182 -21.355 -10.889 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 12.691 -23.693 -12.439 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 13.641 -23.909 -12.279 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 12.542 -23.941 -13.371 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 8.911 -27.025 -18.596 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 8.496 -26.583 -17.818 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 8.519 -26.583 -19.353 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 12.778 -29.721 -16.873 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.981 -29.380 -17.346 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 13.304 -30.131 -17.568 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 6.980 -28.766 -13.393 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 7.011 -29.703 -13.101 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 7.923 -28.494 -13.402 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 3.753 -27.148 -7.580 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 4.004 -26.250 -7.282 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 3.028 -26.992 -8.219 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 3.681 -21.720 -15.764 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 3.045 -21.155 -16.215 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 4.539 -21.385 -16.046 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 6.977 -25.636 -6.866 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.140 -26.494 -7.325 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.248 -24.959 -7.527 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 1.529 -26.656 -9.204 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 1.159 -25.893 -9.701 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 0.840 -26.869 -8.546 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 14.905 -31.117 -9.302 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 14.689 -30.431 -9.970 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 14.256 -31.815 -9.465 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 2.297 -21.916 -10.041 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 1.700 -22.448 -9.489 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 1.727 -21.626 -10.798 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.071 -30.398 -8.766 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.046 -29.466 -8.486 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 10.409 -30.837 -8.189 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 5.066 -28.233 -11.451 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 5.672 -28.385 -12.207 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 5.272 -28.964 -10.831 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 10.355 -29.245 -18.056 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 9.915 -28.368 -18.182 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 9.914 -29.819 -18.689 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 10.566 -30.146 -15.209 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 9.883 -30.077 -15.893 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 11.402 -30.024 -15.698 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 12.197 -31.530 -13.217 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 11.479 -31.458 -13.872 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 12.881 -30.910 -13.548 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 -0.356 -27.487 -7.280 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 0.296 -28.086 -6.833 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 -1.012 -28.091 -7.649 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 14.930 -32.423 -12.284 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 14.899 -33.201 -11.692 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 14.017 -32.337 -12.611 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 14.330 -20.860 -8.052 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 14.992 -20.226 -7.751 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 14.786 -21.730 -7.985 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.103 -24.548 -6.666 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 4.384 -23.797 -7.228 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 3.254 -24.254 -6.285 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 9.688 -28.620 -13.104 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 10.049 -29.040 -13.913 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 9.914 -29.252 -12.390 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 7.488 -33.772 -11.642 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 6.817 -34.448 -11.781 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 8.189 -34.226 -11.164 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 9.487 -21.867 -17.694 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 9.183 -22.116 -18.572 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 10.209 -21.251 -17.857 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 5.786 -26.617 -14.752 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 6.191 -27.470 -14.490 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 5.670 -26.139 -13.902 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 3.178 -26.157 -15.567 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 2.820 -27.044 -15.455 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 4.153 -26.285 -15.519 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 7.700 -25.658 -16.563 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 6.981 -25.962 -15.974 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 7.970 -24.796 -16.186 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 7.180 -20.150 -11.527 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 6.808 -19.499 -12.168 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 7.729 -19.615 -10.942 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 0.574 -25.006 -15.684 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 1.485 -25.343 -15.783 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 0.191 -25.097 -16.559 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 7.919 -23.748 -8.551 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 8.635 -23.120 -8.408 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 7.350 -23.315 -9.227 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 1.466 -21.526 -7.092 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 1.357 -21.069 -6.229 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 1.745 -20.816 -7.699 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 16.694 -36.133 -12.205 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 17.436 -35.489 -12.117 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 16.623 -36.284 -13.155 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 5.608 -30.630 -10.219 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 4.779 -31.037 -10.570 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 6.293 -30.875 -10.877 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 15.167 -34.590 -10.500 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 15.595 -35.221 -11.116 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 14.875 -35.154 -9.748 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.995 -29.772 -14.314 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.540 -29.585 -15.162 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.943 -29.720 -14.539 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.306 -24.423 -12.091 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.746 -24.876 -12.843 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 16.031 -24.215 -11.482 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 0.660 -17.905 -7.604 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 1.413 -18.424 -7.965 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 0.149 -17.657 -8.381 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 -0.490 -25.481 -5.392 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 -0.447 -26.168 -6.098 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 -1.433 -25.314 -5.285 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 1.386 -29.131 -6.031 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 1.582 -29.027 -5.079 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 2.182 -29.561 -6.391 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 2.422 -28.759 -10.814 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 2.036 -28.050 -10.261 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 3.297 -28.409 -11.073 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 3.956 -29.809 -7.047 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 3.987 -28.830 -7.196 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 3.795 -30.175 -7.928 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 3.173 -31.345 -11.180 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 2.495 -31.820 -11.666 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 2.790 -30.445 -11.051 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 10.940 -30.664 -5.084 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 10.206 -30.604 -5.731 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 11.595 -31.253 -5.524 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 4.258 -30.166 -4.231 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.545 -29.534 -4.017 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 4.287 -30.171 -5.204 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 6.635 -30.306 -7.739 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 5.817 -30.266 -7.209 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.315 -30.464 -8.659 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 9.094 -31.186 -7.032 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 8.191 -30.872 -7.277 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 8.931 -32.038 -6.570 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 15.094 -32.350 -4.908 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 15.923 -32.359 -5.404 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 15.333 -31.956 -4.052 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 16.752 -25.592 -14.094 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 16.871 -26.289 -14.750 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 17.437 -24.928 -14.322 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 18.247 -27.660 -16.034 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 18.585 -27.547 -16.930 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 18.912 -27.207 -15.467 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 0.198 -24.646 -10.583 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 -0.761 -24.713 -10.616 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 0.451 -24.401 -11.498 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 16.711 -30.333 -12.446 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 16.714 -30.117 -13.401 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 16.145 -31.141 -12.384 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 14.360 -29.321 -11.391 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 13.911 -29.385 -12.252 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 15.307 -29.419 -11.613 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 14.835 -36.574 -8.593 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 15.422 -37.159 -9.126 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 14.566 -37.124 -7.853 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 4.551 -22.359 -8.355 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 5.253 -22.498 -9.023 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 3.740 -22.231 -8.885 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 6.411 -22.529 -10.422 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 5.672 -22.844 -10.994 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 6.688 -21.679 -10.835 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 11.908 -20.785 -9.351 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 12.846 -20.780 -9.042 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 11.531 -19.993 -8.959 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 4.124 -23.347 -11.585 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 3.796 -23.403 -12.514 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 3.412 -22.875 -11.107 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 6.575 -18.122 -13.235 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 6.112 -17.278 -13.215 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 7.126 -18.074 -14.026 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 15.577 -23.269 -7.980 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 15.187 -24.161 -8.083 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 16.524 -23.441 -7.816 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 17.506 -20.430 -8.020 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 18.331 -20.096 -8.448 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 17.138 -21.042 -8.667 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 0.671 -23.876 -13.199 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 1.627 -23.817 -13.419 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 0.277 -24.310 -13.989 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 0.645 -21.371 -12.098 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 0.521 -22.247 -12.526 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 0.123 -20.768 -12.636 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 2.713 -29.229 6.296 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 3.014 -28.289 6.234 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 2.888 -29.592 5.401 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 2.986 -24.965 8.230 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 3.105 -24.052 7.894 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 2.139 -24.938 8.700 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 4.420 -25.317 3.508 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 5.197 -25.186 4.095 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 4.346 -24.470 3.019 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 17.679 -33.595 10.041 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 18.510 -34.098 10.169 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 17.921 -32.678 10.245 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 13.049 -33.120 4.550 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 13.854 -33.286 4.028 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 13.303 -33.360 5.457 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 8.744 -33.484 -5.570 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 9.616 -33.911 -5.755 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 8.109 -34.201 -5.653 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.090 -27.702 4.390 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 6.880 -27.912 5.322 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.599 -28.374 3.878 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 19.396 -32.541 12.651 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 19.010 -33.435 12.769 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 20.244 -32.705 12.182 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 1.265 -34.519 4.960 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 1.863 -34.639 4.215 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 0.504 -35.070 4.747 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 7.141 -25.523 7.647 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 7.922 -25.239 8.142 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.439 -25.597 8.330 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 3.981 -30.630 4.275 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 4.596 -31.042 4.898 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 4.560 -30.225 3.597 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 5.142 -20.816 8.501 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 4.993 -20.196 9.248 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 6.107 -21.001 8.532 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 6.153 -21.821 -0.737 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 5.378 -21.374 -1.086 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 6.292 -21.408 0.138 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 15.832 -35.242 9.078 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 16.496 -35.749 8.561 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 16.375 -34.550 9.535 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 13.100 -29.806 -3.662 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 13.241 -30.458 -2.951 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 12.248 -30.074 -4.069 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 17.060 -28.190 9.662 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 17.380 -29.101 9.769 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 17.166 -27.791 10.561 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 6.477 -24.612 5.156 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 7.346 -24.608 4.707 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 6.675 -24.962 6.056 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.724 -28.192 7.079 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.833 -27.235 7.251 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 6.117 -28.493 7.782 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 6.527 -25.078 13.768 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 7.393 -24.929 13.343 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 5.906 -25.092 13.038 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.246 -28.443 -2.288 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 10.862 -29.118 -1.898 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 9.667 -28.959 -2.866 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 5.190 -28.929 9.383 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 5.895 -29.072 10.054 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 4.598 -29.698 9.494 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 4.216 -27.236 1.528 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 3.325 -27.120 1.165 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 4.257 -26.594 2.275 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 -1.761 -23.983 9.318 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 -1.724 -24.503 8.491 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 -2.240 -24.566 9.940 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 15.645 -20.859 15.497 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 16.578 -20.619 15.452 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 15.617 -21.772 15.129 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 5.046 -22.294 4.921 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 4.340 -22.514 5.548 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 5.630 -23.084 4.932 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 0.744 -26.291 11.801 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 0.501 -27.166 11.444 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 1.636 -26.431 12.188 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 0.544 -35.924 10.252 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 0.449 -35.025 9.867 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 1.514 -36.082 10.251 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 11.203 -33.761 10.335 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 12.116 -33.912 10.651 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 10.815 -34.658 10.298 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 9.315 -31.971 -3.268 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 8.939 -32.526 -3.979 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 10.006 -31.451 -3.717 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 4.690 -31.006 7.041 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.366 -31.244 7.930 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 4.110 -30.266 6.769 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 5.693 -29.326 2.533 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 5.121 -28.603 2.197 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 5.976 -29.802 1.723 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 15.586 -33.825 3.395 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 16.086 -33.891 4.243 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 15.671 -34.703 3.007 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 6.316 -32.256 9.958 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 5.421 -32.009 9.655 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 6.355 -31.906 10.887 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 4.348 -31.026 -1.635 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 4.453 -30.778 -2.582 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 3.456 -31.382 -1.582 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.607 -26.592 10.622 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 6.708 -26.363 10.310 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 7.510 -27.501 10.980 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 10.714 -32.073 3.492 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 10.139 -32.768 3.829 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 11.613 -32.335 3.803 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.377 -30.425 0.063 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 7.105 -31.042 -0.160 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 5.624 -30.727 -0.503 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 14.187 -33.948 7.235 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 13.537 -33.430 7.721 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 14.639 -34.473 7.927 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 5.952 -27.758 -0.472 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 5.302 -27.600 0.247 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 6.131 -28.720 -0.424 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.145 -26.939 12.984 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.563 -27.751 12.685 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 3.408 -26.867 13.932 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 9.069 -29.613 6.889 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 8.606 -30.465 7.032 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 8.343 -28.958 6.832 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 7.340 -31.631 7.516 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.480 -31.329 7.148 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 7.139 -31.822 8.461 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 11.161 -34.506 -6.233 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 11.781 -35.197 -6.485 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 11.699 -33.684 -6.247 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 9.805 -22.592 11.190 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 9.506 -23.339 11.753 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 9.299 -21.819 11.524 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 14.228 -29.008 -6.028 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 13.924 -29.332 -5.153 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 14.991 -29.570 -6.238 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 3.633 -26.674 6.049 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 3.816 -26.181 5.230 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 3.450 -25.982 6.712 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 0.204 -29.016 10.973 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 0.521 -29.743 11.561 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 0.555 -29.257 10.094 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 16.269 -31.306 -2.265 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 16.769 -30.851 -2.980 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 16.844 -31.217 -1.478 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.292 -24.617 9.439 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 16.190 -24.354 9.733 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 15.291 -25.583 9.511 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 2.760 -26.686 -1.289 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.031 -25.904 -0.761 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 2.179 -26.315 -1.981 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 18.051 -19.134 -1.155 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 18.468 -18.764 -1.967 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 17.336 -18.500 -0.949 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 3.299 -22.359 7.257 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 4.089 -21.881 7.611 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 2.578 -22.114 7.886 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 11.201 -31.058 11.216 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 10.628 -30.496 10.655 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 11.007 -31.970 10.919 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 10.121 -30.928 0.998 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 10.275 -31.339 1.875 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 9.429 -31.488 0.586 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 8.364 -32.246 -0.716 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 7.894 -33.077 -0.839 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 8.766 -32.064 -1.601 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 9.590 -29.416 9.648 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.480 -28.463 9.763 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 9.527 -29.548 8.679 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 10.491 -29.391 4.421 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 10.543 -30.309 4.094 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 10.000 -29.464 5.264 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 2.264 -28.452 -3.487 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 1.988 -27.529 -3.667 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 2.451 -28.458 -2.531 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 3.688 -24.431 -0.173 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 4.074 -24.033 0.637 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 3.142 -23.711 -0.552 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 1.086 -31.207 12.353 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 0.599 -32.043 12.461 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 2.036 -31.475 12.420 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 5.157 -26.214 9.432 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 4.958 -27.176 9.385 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 4.340 -25.785 9.098 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.859 -27.881 -8.049 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 8.805 -28.095 -8.125 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 7.422 -28.754 -7.947 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 8.627 -34.016 7.487 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 8.124 -33.183 7.353 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 9.492 -33.721 7.795 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.968 -25.000 12.347 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.526 -25.476 11.607 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 9.397 -25.718 12.865 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 7.823 -36.087 9.005 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 8.069 -35.289 8.475 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 7.225 -36.575 8.430 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 7.200 -29.247 11.227 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 8.029 -29.671 10.944 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 6.742 -29.944 11.765 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 10.397 -36.417 10.000 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 10.957 -37.029 9.482 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 9.551 -36.380 9.504 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 3.416 -22.721 -3.387 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 2.943 -22.573 -2.542 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 2.716 -22.978 -4.013 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 4.401 -22.940 1.983 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 5.049 -22.211 1.889 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 3.586 -22.490 2.297 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 9.882 -22.697 8.491 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 9.801 -22.855 9.460 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 9.077 -22.181 8.268 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 16.216 -23.289 14.420 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 17.103 -23.214 14.837 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 16.171 -24.210 14.134 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 16.879 -24.579 -2.130 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 17.648 -23.985 -2.020 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 17.040 -25.019 -2.984 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 13.665 -31.863 -1.838 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 14.628 -31.663 -1.925 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 13.588 -32.782 -2.121 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 19.662 -26.662 -5.469 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 19.635 -27.317 -4.758 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 20.610 -26.423 -5.535 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 16.469 -30.430 -7.114 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 17.132 -29.892 -7.597 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.883 -30.776 -7.821 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.954 -27.255 3.674 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.617 -27.752 3.191 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 11.345 -27.946 4.024 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 12.761 -32.250 -6.330 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 13.034 -31.791 -7.136 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 13.593 -32.326 -5.800 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 11.792 -30.102 -0.942 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 11.297 -30.457 -0.167 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 12.491 -30.772 -1.106 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 15.229 -27.092 7.937 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 15.906 -27.497 8.526 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.886 -27.836 7.429 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 13.722 -34.500 11.158 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 13.426 -35.379 11.480 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 14.489 -34.699 10.598 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 1.520 -32.648 6.972 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 2.151 -32.082 6.510 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 1.340 -33.374 6.333 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 1.422 -30.253 8.563 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 1.020 -31.027 8.133 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 1.789 -29.729 7.817 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 -0.415 -33.562 12.203 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 -1.185 -32.976 12.039 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 -0.037 -33.709 11.316 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 7.855 -20.921 8.165 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 8.126 -20.106 8.637 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 8.065 -20.732 7.224 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 5.758 -19.914 5.955 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 5.473 -20.152 6.861 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 5.480 -20.684 5.409 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 8.464 -20.215 11.790 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 7.877 -19.806 12.434 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 8.346 -19.673 10.982 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 1.760 -21.081 5.287 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 2.328 -21.583 5.905 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 0.903 -21.046 5.732 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 8.388 -20.345 5.466 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 7.453 -20.066 5.430 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 8.891 -19.544 5.180 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 2.094 -22.348 -0.960 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 1.291 -22.105 -1.472 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 1.929 -21.988 -0.074 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 14.621 -23.684 -0.825 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 15.432 -24.165 -1.104 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 14.500 -23.013 -1.518 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 4.094 -20.387 -4.648 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 4.152 -21.248 -4.182 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 3.128 -20.225 -4.721 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 0.624 -28.179 40.430 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 0.309 -27.249 40.431 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 0.940 -28.323 41.348 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.439 -28.573 40.145 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 13.588 -28.966 41.024 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 13.264 -27.622 40.336 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 1.915 -28.564 42.901 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 1.647 -28.191 43.748 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 2.818 -28.198 42.753 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 0.763 -31.216 40.144 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 0.547 -31.529 39.239 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 0.479 -30.288 40.149 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.914 -28.388 40.982 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.278 -29.138 41.029 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.434 -28.463 41.808 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 7.036 -30.353 41.363 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 6.869 -29.951 42.238 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 6.430 -31.115 41.335 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 10.010 -32.691 44.469 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 10.564 -33.438 44.777 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 9.102 -33.015 44.563 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 2.042 -35.180 39.359 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 1.699 -34.788 38.550 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 1.560 -34.716 40.072 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 -1.409 -28.966 38.561 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 -0.620 -28.659 39.038 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 -1.054 -29.300 37.696 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 20.734 -34.979 43.858 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 19.952 -34.621 44.327 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 20.359 -35.387 43.055 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 1.749 -34.839 43.158 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 2.058 -33.968 43.432 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 1.108 -34.649 42.440 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 8.517 -25.019 45.583 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 8.446 -25.106 46.537 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 8.341 -25.922 45.244 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 6.115 -34.598 41.040 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 7.008 -34.253 41.001 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 5.587 -33.858 41.405 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 0.815 -25.010 38.101 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 0.114 -25.205 37.447 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 0.448 -25.333 38.948 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 12.686 -25.988 40.437 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 11.876 -25.770 40.952 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 12.492 -25.659 39.536 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 9.502 -18.106 40.924 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 8.818 -18.817 40.897 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 8.997 -17.291 40.816 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 13.094 -28.181 37.483 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.896 -28.270 36.915 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 13.414 -28.418 38.389 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 16.318 -29.368 43.689 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 16.880 -28.860 43.073 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 15.406 -29.125 43.436 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 14.166 -32.628 44.680 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 15.001 -32.155 44.504 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 14.457 -33.495 45.024 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 8.022 -27.326 44.127 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 7.583 -26.736 43.478 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 7.456 -28.132 44.133 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 5.084 -32.252 42.180 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 4.143 -31.972 42.145 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 5.328 -32.146 43.124 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.423 -25.723 41.899 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 9.734 -25.107 42.215 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 10.338 -26.496 42.481 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 6.136 -23.873 37.772 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 5.616 -23.581 37.015 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 6.524 -23.044 38.127 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 5.298 -25.195 40.025 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 4.417 -25.504 39.784 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 5.599 -24.687 39.240 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 14.998 -35.025 45.786 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 14.287 -35.602 45.434 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 15.775 -35.615 45.833 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.744 -37.421 41.013 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 6.104 -36.544 40.764 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 4.976 -37.205 41.582 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 9.315 -40.666 44.335 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 9.843 -39.852 44.199 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 9.909 -41.253 44.851 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.748 -34.574 45.495 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 12.471 -33.961 45.704 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 12.206 -35.377 45.145 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 5.739 -31.809 44.773 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 5.297 -31.778 45.628 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 6.357 -32.579 44.851 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 -2.283 -35.358 36.851 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 -1.355 -35.286 36.537 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 -2.799 -34.876 36.178 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 12.038 -30.867 44.079 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 11.261 -31.462 44.166 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 12.804 -31.444 44.301 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 -0.106 -32.446 37.758 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 -0.177 -31.625 37.199 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 -0.057 -33.166 37.114 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 7.188 -34.056 45.198 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 7.840 -34.505 45.777 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 6.621 -34.787 44.867 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 2.539 -31.247 42.241 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 1.974 -31.378 41.451 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 2.312 -30.349 42.548 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 13.574 -28.861 42.976 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 13.092 -29.629 43.353 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 12.946 -28.131 43.047 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 3.401 -28.262 40.065 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 2.430 -28.214 39.984 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 3.640 -29.064 39.590 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.464 -28.427 43.283 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.710 -28.219 43.870 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 10.862 -29.229 43.676 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 12.576 -25.413 37.739 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 12.855 -26.314 37.507 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 13.412 -24.902 37.774 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 10.685 -38.278 43.901 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 11.454 -37.677 43.949 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 9.907 -37.668 43.864 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 8.613 -36.586 43.898 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 8.791 -36.174 44.767 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 7.643 -36.524 43.799 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 10.720 -19.741 42.837 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 10.232 -19.134 42.250 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 11.627 -19.677 42.538 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 1.845 -37.789 40.111 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 2.034 -36.835 39.970 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 1.453 -38.078 39.262 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 3.633 -36.772 42.667 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 3.057 -37.502 42.383 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 3.017 -36.012 42.781 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 6.260 -29.319 43.769 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 5.462 -28.852 43.446 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 5.918 -30.165 44.132 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 5.005 -38.807 45.435 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 4.065 -38.561 45.282 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 4.956 -39.549 46.049 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 9.273 -35.488 46.339 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 9.436 -36.262 46.928 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 10.168 -35.120 46.177 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 10.010 -37.746 47.743 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 9.760 -38.670 47.612 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 10.840 -37.793 48.246 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 5.833 -36.335 44.361 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 5.141 -36.331 43.667 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 5.654 -37.152 44.870 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 1.004 -22.320 37.959 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 0.066 -22.217 37.714 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 1.118 -23.295 38.053 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 -2.492 -19.631 42.903 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 -1.671 -19.350 42.444 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 -2.328 -19.427 43.825 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 14.102 -15.741 39.552 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 13.218 -16.176 39.589 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 14.735 -16.487 39.614 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 14.930 -24.149 38.248 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 15.490 -23.434 37.859 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 15.068 -24.066 39.200 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 16.868 -25.128 36.543 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 17.000 -24.150 36.581 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 16.049 -25.270 37.050 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 -1.157 -22.793 40.187 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 -1.517 -21.901 40.392 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 -1.308 -22.890 39.224 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 16.902 -33.376 47.376 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 17.583 -34.043 47.561 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 16.183 -33.876 46.956 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 16.865 -31.859 44.811 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 16.896 -31.762 45.777 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 16.779 -30.936 44.476 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 19.006 -35.294 47.015 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 18.649 -34.983 46.151 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 19.119 -36.260 46.893 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 -1.303 -36.735 39.090 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 -1.722 -36.266 38.344 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 -0.649 -37.315 38.668 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 18.147 -34.309 44.617 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 17.660 -33.459 44.724 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 18.070 -34.507 43.658 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 2.342 -38.193 44.955 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 2.181 -37.243 44.862 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 2.237 -38.545 44.042 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 1.580 -20.671 40.073 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 1.305 -21.285 39.355 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 1.985 -21.246 40.734 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 4.453 -27.574 42.519 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 4.287 -27.723 41.559 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 5.120 -26.853 42.538 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 6.526 -25.649 42.396 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 7.174 -24.933 42.567 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 6.130 -25.409 41.525 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 10.628 -40.731 48.226 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 11.362 -40.143 48.506 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 10.192 -40.973 49.048 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 15.397 -38.331 48.122 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 16.116 -38.246 48.756 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 15.728 -37.864 47.323 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 2.669 -19.519 -8.589 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 3.603 -19.451 -8.338 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 2.663 -20.170 -9.317 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 12.380 -23.317 -8.331 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 13.327 -23.174 -8.193 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 12.080 -22.508 -8.783 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 12.400 -14.651 -2.284 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.929 -14.832 -1.477 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 11.807 -15.424 -2.362 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 5.472 -20.121 -6.973 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 4.997 -20.183 -6.115 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 5.247 -20.957 -7.429 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 10.766 -16.952 -2.542 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 9.950 -16.580 -2.146 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 10.441 -17.691 -3.093 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 13.240 -17.891 -1.949 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 13.339 -18.410 -2.775 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 12.367 -17.454 -2.047 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 7.786 -18.896 -6.019 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 7.572 -18.006 -6.308 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 7.067 -19.448 -6.389 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 9.087 -19.047 -3.602 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 8.417 -18.589 -3.075 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 8.710 -19.055 -4.512 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 17.859 -22.813 -4.690 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 18.300 -22.691 -3.819 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 17.540 -21.909 -4.925 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 16.022 -17.812 -4.313 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 15.804 -16.924 -3.959 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 15.179 -18.305 -4.257 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 16.962 -20.345 -5.354 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 17.205 -20.311 -6.309 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 16.718 -19.429 -5.136 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 0.060 -17.903 -4.941 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 0.226 -17.922 -5.917 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 0.257 -16.994 -4.689 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 5.087 -17.905 -3.976 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 4.832 -18.839 -4.124 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.776 -17.448 -4.761 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 13.694 -19.483 -4.129 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 13.291 -19.870 -4.918 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 14.062 -20.257 -3.643 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 10.876 -12.928 5.257 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 11.226 -12.930 6.171 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 10.298 -13.717 5.222 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 16.573 -18.323 9.553 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 15.661 -17.957 9.524 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 17.140 -17.537 9.571 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 9.273 -8.936 8.881 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 9.272 -8.131 8.313 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 9.920 -9.531 8.445 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 5.521 -17.990 1.052 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 5.564 -17.731 0.099 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.856 -17.400 1.425 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 14.416 -13.384 8.438 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 15.001 -13.035 9.143 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 14.924 -14.128 8.053 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 4.095 -16.979 8.671 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 4.858 -17.164 8.075 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 4.050 -16.002 8.702 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 14.702 -17.890 5.706 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 15.493 -17.752 6.239 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.475 -16.994 5.378 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 6.205 -17.471 6.998 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 6.140 -18.352 6.565 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 7.147 -17.383 7.221 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 15.474 -20.485 8.060 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 15.992 -19.751 8.430 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 16.135 -21.195 7.913 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 14.769 -7.376 7.201 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 14.833 -6.535 7.703 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 15.266 -7.196 6.370 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 8.836 -14.016 -2.375 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 9.614 -13.518 -2.673 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 8.176 -13.321 -2.162 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 16.970 -12.359 6.690 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 16.186 -12.113 6.166 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 17.021 -11.670 7.378 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.487 -10.453 -2.412 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 10.117 -11.142 -2.723 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 10.050 -9.734 -2.118 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 14.939 -21.512 -2.756 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 15.422 -21.281 -1.927 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 15.643 -21.683 -3.401 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 8.118 -18.456 9.646 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 8.632 -18.016 8.945 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 7.680 -17.719 10.117 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 8.249 -16.527 -1.559 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 8.305 -15.592 -1.876 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 7.284 -16.700 -1.499 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.824 -14.478 7.904 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 7.151 -13.940 8.651 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.853 -14.443 7.991 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 7.211 -11.851 -1.913 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 6.517 -11.290 -2.264 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 8.023 -11.297 -1.979 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 9.530 -15.338 5.081 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 10.109 -15.539 4.310 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 8.626 -15.345 4.706 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 1.836 -13.376 -0.938 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 1.363 -13.129 -0.137 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 1.276 -13.060 -1.654 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 7.853 -17.661 2.446 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 7.034 -17.914 1.967 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.589 -16.876 2.970 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 4.266 -14.625 -1.197 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 3.360 -14.262 -1.081 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 4.828 -13.843 -1.251 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 11.736 -12.994 7.826 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 12.657 -13.166 8.118 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 11.187 -13.555 8.419 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 4.861 -16.645 4.774 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 5.334 -16.807 5.616 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 4.057 -17.200 4.844 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.783 -16.284 7.623 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 7.996 -15.685 7.651 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.156 -16.144 6.725 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.298 -11.940 6.141 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 14.054 -11.038 6.436 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.395 -12.441 6.979 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 9.758 -17.048 0.647 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 9.248 -16.791 -0.153 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 9.066 -17.332 1.289 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 6.322 -9.661 12.266 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 7.093 -9.808 12.855 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 5.916 -8.858 12.605 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 11.169 -12.439 -3.242 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 11.646 -13.175 -2.788 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 11.637 -12.338 -4.077 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 8.557 -10.385 16.511 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 8.289 -10.217 15.588 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 9.415 -9.919 16.596 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 9.546 -6.738 7.248 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 10.403 -6.418 6.941 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 8.906 -6.243 6.727 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 16.961 -15.228 1.985 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 17.872 -14.915 2.019 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 16.431 -14.422 2.012 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 16.365 -10.396 8.633 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 16.803 -9.536 8.612 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 15.437 -10.198 8.371 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 13.026 -12.212 3.696 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.134 -12.337 4.086 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.589 -11.984 4.461 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 11.109 -10.355 7.385 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 10.846 -10.342 6.455 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 11.277 -11.305 7.573 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 4.096 -14.125 8.462 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 3.370 -13.885 7.875 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 4.264 -13.304 8.982 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 7.081 -15.394 3.776 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 6.241 -15.794 4.108 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 6.864 -14.463 3.648 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 10.061 -14.538 9.332 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 9.661 -15.199 8.722 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 9.309 -13.938 9.562 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 5.555 -17.003 -1.466 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 5.031 -16.168 -1.436 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 5.391 -17.357 -2.372 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 10.982 -15.829 2.809 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 10.592 -16.041 1.938 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 11.776 -15.300 2.594 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 2.731 -18.434 5.482 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 2.456 -18.367 6.417 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 2.475 -19.335 5.226 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 8.694 -9.882 13.714 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 8.997 -9.285 12.992 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 9.486 -10.423 13.923 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 13.809 -9.803 7.729 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 12.833 -9.788 7.752 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 14.062 -8.866 7.529 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 7.893 -13.112 10.062 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 7.549 -13.323 10.957 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 7.657 -12.166 9.932 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 15.022 -5.076 8.670 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 14.924 -4.148 8.441 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 15.300 -5.067 9.591 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 4.599 -11.714 9.713 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 4.115 -10.996 10.133 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.503 -11.350 9.585 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 7.151 -16.307 11.280 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 6.476 -16.812 11.778 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 6.939 -15.371 11.477 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 7.090 -10.505 9.791 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 7.774 -9.910 9.416 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 6.874 -10.102 10.664 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 6.513 -13.778 12.344 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 6.472 -13.998 13.302 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 5.906 -13.034 12.247 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 9.866 -16.079 11.577 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 8.913 -16.293 11.644 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 9.912 -15.439 10.840 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 4.632 -18.967 10.507 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 4.418 -18.221 9.901 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 4.947 -18.528 11.324 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 9.460 -13.483 14.730 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 9.843 -14.107 14.104 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 10.009 -12.677 14.633 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 13.022 -10.779 16.310 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 13.996 -10.767 16.197 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 12.875 -11.469 16.992 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 16.160 -6.970 4.872 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 16.354 -7.690 4.268 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 16.492 -6.171 4.406 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 13.499 -14.579 2.448 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 13.333 -13.642 2.712 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 13.875 -14.988 3.254 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 17.662 -15.894 12.230 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 17.730 -16.803 12.600 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 18.491 -15.457 12.516 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.215 -15.484 -2.901 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 14.505 -15.099 -3.435 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.061 -15.119 -2.010 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 14.155 -15.178 -0.202 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.871 -14.859 0.684 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 14.693 -15.960 -0.010 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 14.230 -15.198 5.129 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 15.005 -15.101 5.728 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 13.650 -14.463 5.372 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 2.563 -16.951 13.607 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 2.451 -16.112 13.147 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 2.367 -16.734 14.553 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 15.730 -17.542 -0.963 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 14.813 -17.808 -1.216 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 15.983 -16.903 -1.651 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 1.961 -18.709 8.193 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 1.273 -18.512 8.867 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 2.697 -18.104 8.421 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.517 -19.703 3.587 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 15.669 -18.937 2.983 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 15.252 -19.289 4.433 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 5.890 -20.602 1.795 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 5.755 -19.679 1.481 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 6.208 -20.498 2.702 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 1.363 -20.297 -4.671 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 0.936 -20.785 -3.937 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.885 -19.438 -4.698 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 2.343 -21.220 2.597 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 2.617 -20.312 2.439 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 2.092 -21.234 3.547 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 2.997 -20.981 11.427 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 2.650 -21.270 10.562 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 3.678 -20.314 11.199 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 8.915 -10.499 21.851 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 9.203 -11.429 21.992 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 9.250 -10.278 20.957 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 12.624 -13.146 21.845 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 13.465 -12.737 21.541 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 12.010 -13.003 21.104 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 2.839 -11.995 25.324 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 2.393 -12.574 24.667 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 3.201 -12.613 25.978 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 11.972 -7.249 24.219 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 11.211 -7.168 24.832 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 11.787 -8.056 23.725 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 -0.967 -15.274 20.908 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 -0.934 -14.600 20.200 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 -1.920 -15.474 21.002 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 0.111 -11.058 19.755 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 0.618 -11.174 20.592 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 0.340 -10.172 19.464 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 9.110 -10.141 24.605 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 8.936 -10.178 23.640 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 10.083 -10.296 24.678 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 3.697 -15.851 23.027 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 4.069 -15.808 22.119 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 4.381 -15.439 23.586 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.564 -11.246 22.066 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 2.020 -10.718 22.728 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 1.561 -12.149 22.440 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 6.255 -11.313 21.975 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 6.428 -12.158 21.514 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 7.119 -10.855 21.963 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 8.972 -11.927 28.861 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 9.791 -12.304 28.497 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 8.433 -11.711 28.070 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 2.826 -15.967 25.793 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 3.642 -15.438 25.747 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 2.688 -16.263 24.881 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 9.808 -7.769 25.840 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 9.419 -8.534 25.369 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 9.902 -8.073 26.744 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 18.777 -8.276 28.830 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 19.458 -8.039 29.496 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 18.108 -8.775 29.341 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 9.728 -10.259 19.129 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 8.968 -10.362 18.527 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 10.345 -9.688 18.632 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 11.042 -11.248 14.356 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 11.736 -11.101 15.033 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 11.545 -11.492 13.550 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.154 -12.651 18.299 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 13.933 -12.553 18.874 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 13.449 -13.282 17.596 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.467 -13.430 26.682 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 14.194 -12.853 26.363 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 12.989 -13.695 25.852 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 5.513 -11.689 24.533 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 5.725 -11.416 23.608 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 4.558 -11.511 24.623 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 10.987 -9.065 16.892 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 11.746 -9.667 16.709 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 11.237 -8.236 16.469 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 4.080 -10.672 29.063 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 4.521 -10.971 29.892 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 3.865 -9.727 29.237 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 15.644 -9.226 27.562 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.431 -8.783 27.200 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 14.890 -8.762 27.126 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 15.709 -11.534 16.400 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 15.767 -11.985 15.543 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 15.887 -12.250 17.055 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 5.029 -14.325 25.196 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 5.133 -14.056 26.127 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 5.309 -13.534 24.692 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 4.648 -15.631 20.383 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 3.848 -15.916 19.897 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 5.316 -15.504 19.681 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 6.792 -13.763 20.834 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 6.025 -14.290 21.115 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 6.904 -13.996 19.892 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 11.509 -13.367 28.554 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 11.103 -14.230 28.709 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 12.141 -13.525 27.811 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 10.872 -12.696 19.748 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 10.497 -11.813 19.553 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 11.630 -12.777 19.124 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 6.671 -16.955 15.138 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 7.265 -16.957 15.914 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 6.490 -16.008 14.981 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 1.852 -16.108 16.109 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 1.050 -15.558 16.261 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 2.214 -16.250 17.003 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 2.372 -16.621 18.965 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 2.497 -17.541 19.289 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 1.542 -16.338 19.370 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 6.622 -14.960 18.392 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 7.163 -15.721 18.098 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 6.947 -14.213 17.843 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 5.947 -14.262 15.027 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 5.130 -14.252 15.541 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 6.592 -13.780 15.592 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 4.935 -6.590 31.254 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 5.510 -5.968 31.705 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 4.481 -7.074 31.987 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 18.272 -11.114 26.792 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 18.093 -10.178 26.569 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 17.468 -11.584 26.497 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 13.729 -10.945 31.112 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 12.866 -10.629 30.769 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 14.061 -11.537 30.409 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 3.364 -8.152 29.712 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 2.821 -7.530 29.216 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 4.028 -7.580 30.170 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 7.846 -12.374 31.356 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 6.986 -11.905 31.350 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 8.191 -12.253 30.450 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 16.802 -9.854 30.057 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 16.644 -10.807 30.210 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 16.214 -9.632 29.303 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 14.355 -10.762 23.702 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 14.345 -11.134 22.806 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 15.003 -10.026 23.650 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.800 -10.295 24.916 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 12.677 -10.511 24.544 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 11.913 -10.409 25.882 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 17.693 -10.669 18.667 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 17.337 -10.706 17.762 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 17.568 -11.593 19.010 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 9.272 -13.215 21.903 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 8.413 -13.524 21.552 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 9.867 -13.219 21.126 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 11.050 -10.556 30.430 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 10.756 -10.332 31.324 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 10.289 -11.028 30.041 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 9.378 -8.335 11.574 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 9.473 -7.379 11.522 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 9.365 -8.627 10.638 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 11.786 -10.710 27.673 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 11.836 -11.631 27.979 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 11.691 -10.195 28.488 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 5.323 -11.232 31.457 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 5.290 -10.497 32.096 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 5.032 -12.011 31.981 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 7.737 -13.057 16.766 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 7.898 -12.097 16.876 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 8.446 -13.344 16.141 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 12.433 -10.975 33.555 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 12.894 -10.999 32.697 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 13.144 -10.870 34.201 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 13.831 -14.241 16.228 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 14.659 -14.041 15.752 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 13.892 -15.192 16.425 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 7.442 -11.383 26.441 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 8.166 -10.909 25.975 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 6.746 -11.477 25.750 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 14.238 -12.940 29.275 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 14.300 -13.101 28.311 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 13.328 -13.198 29.497 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 14.812 -11.993 20.831 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 14.954 -11.028 20.736 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 15.676 -12.386 20.580 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 16.290 -8.855 24.029 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 16.730 -8.569 24.851 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 17.031 -8.964 23.390 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 14.182 -7.967 25.677 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 14.743 -8.185 24.914 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 13.366 -7.596 25.274 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 18.356 -13.645 15.971 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 19.162 -14.068 16.327 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 17.720 -13.662 16.730 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 2.103 -10.067 27.189 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 2.867 -10.257 27.763 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 2.253 -10.624 26.400 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 18.933 -12.101 29.296 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 18.052 -12.353 29.645 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 18.742 -11.726 28.413 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 15.460 -11.598 26.101 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 15.080 -11.330 25.234 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 15.408 -10.784 26.647 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 2.323 -14.833 30.479 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 3.291 -14.838 30.316 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 1.940 -15.186 29.649 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 1.766 -13.702 23.442 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 0.870 -14.096 23.548 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 2.334 -14.462 23.210 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 -0.731 -14.915 23.610 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 -1.682 -14.979 23.861 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 -0.731 -15.088 22.640 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 5.289 -17.616 12.863 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 4.359 -17.507 13.145 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 5.805 -17.513 13.697 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 5.936 -15.733 37.103 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 5.953 -15.491 36.149 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 5.116 -16.221 37.207 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 17.113 -12.692 38.977 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 16.566 -13.020 39.725 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 16.509 -12.734 38.207 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 15.372 -13.750 40.844 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 14.718 -13.388 41.451 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 14.861 -14.398 40.297 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 7.531 -19.938 41.152 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 6.635 -19.889 40.742 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 7.386 -20.407 41.980 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 10.448 -12.331 34.956 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 11.096 -12.732 35.577 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 11.002 -11.772 34.371 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 17.399 -12.144 34.918 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 17.641 -11.303 35.361 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 16.686 -11.877 34.287 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 15.628 -11.096 33.169 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 16.358 -10.502 32.905 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 14.984 -11.022 32.437 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 16.588 -12.621 30.553 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 15.754 -12.845 30.085 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 16.542 -13.144 31.387 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 15.235 -10.038 36.494 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 16.047 -9.762 36.015 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 14.852 -9.213 36.803 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 0.925 -17.716 36.873 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 0.611 -16.792 36.859 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 0.124 -18.240 36.644 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 -1.197 -13.507 34.387 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 -0.693 -12.724 34.084 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 -1.350 -14.020 33.569 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 8.098 -14.419 38.053 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 7.280 -14.909 37.807 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 8.014 -13.567 37.585 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 6.060 -10.293 36.553 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 6.722 -11.011 36.441 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 6.113 -10.066 37.483 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 5.990 -15.076 34.463 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 5.664 -15.604 33.703 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 6.854 -14.716 34.155 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 7.047 -21.335 38.281 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 7.407 -21.264 37.368 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 7.743 -20.962 38.840 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 15.421 -12.712 36.755 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 15.204 -11.749 36.766 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 16.141 -12.783 36.102 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 3.616 -8.069 33.082 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 4.118 -8.780 33.541 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 2.746 -8.470 32.908 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 12.591 -13.207 36.472 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 13.553 -13.055 36.523 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 12.420 -13.866 37.154 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 7.890 -12.287 36.217 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 7.623 -12.802 35.429 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 8.819 -12.046 36.034 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 10.238 -16.047 37.636 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 9.519 -15.432 37.917 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 9.994 -16.298 36.742 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 2.183 -14.015 33.048 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 2.283 -14.320 32.113 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 1.827 -14.796 33.512 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 2.940 -18.872 38.524 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 2.400 -19.346 39.194 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 2.290 -18.316 38.046 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 4.919 -10.210 34.092 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 4.740 -11.170 34.006 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 5.333 -10.123 34.982 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 4.599 -12.887 33.498 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 3.694 -13.265 33.412 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 5.107 -13.590 33.950 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 8.202 -13.566 33.810 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 8.092 -13.160 32.920 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 9.087 -13.261 34.104 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 19.666 -12.064 31.903 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 19.538 -12.088 30.923 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 19.783 -13.000 32.150 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 17.663 -9.457 35.361 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 17.969 -9.336 34.437 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 18.379 -9.068 35.907 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 19.584 -8.808 37.198 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 19.258 -9.473 37.855 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.057 -8.163 37.736 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 19.219 -15.406 36.508 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 19.691 -14.670 36.072 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 18.922 -15.973 35.767 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.749 -10.436 39.227 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.077 -11.136 39.093 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 19.226 -10.715 40.015 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 19.423 -14.233 39.061 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 18.664 -13.609 39.071 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 19.417 -14.599 38.152 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 -0.654 -15.412 36.273 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 -0.828 -14.590 35.756 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 -1.492 -15.597 36.710 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 8.624 -23.948 43.100 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 8.597 -24.239 44.043 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 9.124 -23.122 43.123 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 17.880 -22.395 39.626 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 17.491 -22.453 38.721 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 17.980 -21.440 39.778 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.064 -17.614 39.826 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.157 -18.575 39.874 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.843 -17.325 39.302 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 3.415 -21.240 37.145 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 2.605 -21.673 37.481 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 3.476 -20.416 37.663 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 5.169 -19.945 39.856 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 5.549 -20.479 39.132 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 4.451 -19.438 39.430 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 11.773 -17.126 39.599 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 11.274 -16.748 38.839 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 11.083 -17.537 40.152 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.581 -41.412 12.627 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 18.650 -41.196 12.853 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 19.993 -41.604 13.486 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 23.058 -41.191 12.132 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 22.350 -41.767 11.815 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 23.049 -41.317 13.111 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 16.594 -39.175 15.839 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 17.264 -39.321 16.544 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 16.267 -38.251 16.017 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 23.735 -38.350 15.837 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 23.818 -38.625 14.898 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 23.594 -39.182 16.317 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 17.925 -46.333 17.773 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 18.707 -46.291 17.218 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 17.436 -45.511 17.558 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 20.301 -41.375 15.358 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 19.707 -40.619 15.437 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 20.070 -41.946 16.130 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 22.657 -35.067 10.308 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 22.735 -35.926 10.781 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 23.590 -34.793 10.155 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 21.441 -42.246 25.486 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 20.752 -42.500 26.129 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 22.204 -42.010 26.042 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 18.489 -44.066 25.247 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 18.262 -43.120 25.107 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 18.587 -44.148 26.227 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 25.489 -35.697 23.286 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 25.844 -35.217 24.050 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 25.469 -36.638 23.579 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 26.691 -41.251 25.043 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 26.583 -41.055 26.001 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 27.332 -41.967 25.023 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.555 -42.469 22.748 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 24.615 -42.491 23.013 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.985 -41.935 23.443 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 20.156 -42.483 20.396 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 21.020 -42.087 20.156 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 20.326 -42.929 21.250 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 22.465 -44.312 21.561 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 21.571 -44.611 21.802 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 22.642 -43.573 22.183 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 21.521 -46.986 24.974 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 22.057 -46.825 24.192 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 21.737 -46.240 25.572 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 26.732 -40.917 27.797 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 27.134 -41.255 28.618 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 26.268 -40.116 28.076 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 27.671 -41.475 17.793 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 26.951 -42.132 17.740 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 27.247 -40.634 17.527 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 17.679 -45.516 22.024 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 17.248 -45.853 22.829 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 17.680 -46.288 21.409 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 26.012 -38.917 29.912 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 26.405 -38.087 30.228 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 26.670 -39.605 30.165 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 26.385 -39.280 16.644 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 27.120 -39.125 16.003 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 25.797 -38.516 16.518 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.017 -48.022 25.737 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.311 -47.665 26.601 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 19.799 -47.904 25.159 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 20.129 -46.684 27.870 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 19.509 -45.908 27.847 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 20.947 -46.343 27.454 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 25.489 -43.200 17.715 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 25.559 -44.121 17.443 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 25.248 -43.248 18.674 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 29.791 -40.471 33.165 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 29.935 -39.666 33.671 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 30.088 -40.244 32.260 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.875 -42.205 23.210 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.033 -41.240 23.264 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.256 -42.385 23.957 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 14.639 -46.168 26.359 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 14.160 -46.802 25.789 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 15.407 -45.900 25.818 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 27.726 -40.936 30.507 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 28.669 -40.678 30.584 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.475 -41.198 31.420 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 24.633 -43.238 20.266 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 25.162 -42.962 21.050 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 23.937 -43.822 20.642 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 30.269 -39.802 30.563 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 30.005 -38.963 30.111 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 31.081 -40.064 30.117 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 30.355 -41.711 17.717 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 29.370 -41.641 17.744 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 30.587 -42.097 18.564 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 22.640 -41.362 19.510 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 23.287 -41.958 19.933 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 23.105 -41.035 18.716 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 19.910 -44.151 22.740 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 19.146 -44.660 22.389 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 19.723 -44.079 23.696 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 24.219 -40.842 17.231 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 24.608 -41.738 17.364 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 25.004 -40.255 17.139 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 19.603 -42.787 17.562 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 19.795 -43.029 18.485 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 18.701 -43.139 17.404 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 22.949 -42.064 27.855 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 23.317 -41.797 28.722 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 22.059 -42.436 28.072 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 30.614 -40.131 15.513 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 30.499 -40.672 16.329 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 31.482 -40.379 15.189 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 22.940 -41.347 14.822 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 21.979 -41.390 15.029 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 23.371 -41.309 15.697 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 22.124 -45.032 32.977 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 21.754 -45.270 32.099 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 22.623 -44.221 32.813 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 20.781 -45.648 30.692 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 20.668 -46.617 30.584 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 20.642 -45.295 29.799 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 22.116 -45.017 26.823 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 22.940 -44.517 26.758 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 21.460 -44.354 27.157 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 27.161 -41.135 33.220 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 26.879 -40.565 33.976 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 28.143 -41.121 33.269 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.218 -34.097 10.467 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.160 -33.913 10.442 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 24.977 -33.991 11.418 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 17.735 -43.680 19.949 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 18.540 -43.190 20.212 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 17.532 -44.239 20.727 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 17.044 -46.309 24.737 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 17.457 -45.427 24.886 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 17.722 -46.941 25.049 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 16.410 -50.916 31.767 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 15.681 -50.449 32.196 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 17.158 -50.268 31.794 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 16.509 -49.072 26.229 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 16.012 -48.645 25.513 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 17.450 -48.881 26.015 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.891 -40.665 30.117 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 23.908 -40.898 31.070 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.685 -40.105 29.997 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 24.879 -32.854 22.322 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 24.822 -33.479 21.568 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 25.046 -33.427 23.089 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 28.374 -38.723 14.874 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 28.813 -37.945 14.526 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 29.117 -39.330 15.112 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 19.819 -48.566 41.894 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 19.727 -48.685 40.919 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 19.232 -49.226 42.266 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 23.120 -49.173 37.603 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 23.402 -49.599 36.792 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 22.446 -48.528 37.313 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 20.398 -45.521 38.228 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 20.297 -44.724 37.649 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 21.097 -45.263 38.873 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 27.185 -42.852 43.471 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 26.854 -43.224 42.620 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 28.058 -43.238 43.572 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 24.707 -48.485 39.766 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 24.632 -49.056 40.560 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 24.088 -48.886 39.119 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 23.054 -45.529 44.021 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 22.486 -45.369 44.814 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 22.430 -45.897 43.350 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.893 -43.963 41.367 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 25.056 -43.461 41.434 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.634 -44.799 40.921 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 24.637 -49.786 42.234 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 24.558 -50.583 42.759 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.636 -49.060 42.896 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 23.524 -42.610 40.644 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.085 -42.505 39.852 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 22.986 -43.409 40.451 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.523 -43.004 44.078 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.294 -43.941 44.200 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.499 -43.003 43.991 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 21.388 -44.799 46.058 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.549 -44.998 46.481 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 21.402 -43.818 46.004 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 25.406 -45.170 36.988 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 26.118 -45.634 36.490 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.616 -45.255 36.410 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 19.235 -44.465 42.768 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 18.405 -44.822 42.383 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 18.927 -43.841 43.472 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 22.999 -40.039 46.279 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 22.755 -39.466 47.041 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 23.969 -40.085 46.316 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.662 -43.225 43.104 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.807 -43.680 42.952 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.294 -43.947 43.250 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 24.913 -45.837 39.612 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 24.903 -46.821 39.737 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 25.124 -45.721 38.660 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 21.261 -47.430 36.522 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 20.953 -46.781 37.196 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 20.525 -48.080 36.465 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 23.062 -45.434 35.531 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 22.563 -46.170 35.940 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 22.735 -45.410 34.604 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 25.535 -43.013 38.730 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 25.957 -43.415 39.510 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 25.537 -43.731 38.059 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 24.514 -47.889 44.258 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.754 -47.786 45.181 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.065 -47.049 44.033 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 22.488 -37.568 38.850 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 22.525 -36.834 39.494 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 22.145 -37.153 38.032 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 17.925 -46.279 38.932 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 18.860 -46.055 38.712 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 17.422 -45.472 38.673 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 22.360 -44.977 40.018 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 23.241 -45.395 39.870 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 21.975 -45.488 40.765 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 22.439 -36.799 44.975 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 22.172 -36.692 45.904 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 21.934 -36.102 44.503 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 25.100 -37.841 37.962 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 25.412 -38.762 38.076 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.289 -37.794 38.505 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.426 -41.063 32.798 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 25.391 -41.211 32.915 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 24.010 -41.661 33.459 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 23.017 -40.538 36.436 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 22.170 -40.460 36.922 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 23.182 -39.633 36.099 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 25.499 -40.552 37.658 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.612 -40.676 37.264 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 25.678 -41.405 38.116 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.416 -37.250 32.114 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.345 -37.967 31.449 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 19.691 -37.422 32.727 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 19.034 -48.984 36.277 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 18.958 -48.631 35.369 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 18.107 -49.011 36.600 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 19.913 -37.843 46.393 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 19.542 -37.852 45.484 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 20.342 -38.705 46.480 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 21.324 -42.087 45.603 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 21.932 -41.366 45.880 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 21.594 -42.287 44.682 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 26.409 -39.543 35.247 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 25.832 -38.772 35.238 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 26.297 -39.916 36.147 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.263 -42.709 34.682 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.204 -42.021 35.378 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.270 -43.551 35.177 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 27.420 -46.466 35.675 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.851 -47.304 35.868 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 28.046 -45.998 35.112 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.754 -37.873 35.639 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 23.015 -37.238 35.768 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 24.323 -37.738 36.434 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 21.190 -46.236 42.153 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 20.825 -47.151 42.073 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 20.403 -45.683 42.359 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 18.792 -42.614 44.680 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 18.213 -41.818 44.691 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 19.602 -42.328 45.147 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 25.919 -38.322 47.424 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 25.755 -38.961 46.698 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 26.844 -38.016 47.266 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.564 -39.867 45.163 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 25.518 -39.065 44.588 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 26.023 -40.524 44.618 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 21.517 -31.799 -12.322 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 20.694 -31.355 -12.056 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 21.822 -32.243 -11.506 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 22.538 -25.731 -13.435 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 23.025 -26.530 -13.735 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 22.978 -25.484 -12.595 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 23.653 -24.526 -11.174 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 23.306 -23.626 -11.367 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 24.539 -24.363 -10.790 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 25.580 -21.063 -10.151 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.463 -21.441 -10.310 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 25.411 -21.246 -9.207 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 23.371 -30.803 -14.056 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 23.884 -31.596 -14.230 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 22.663 -31.107 -13.441 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 20.997 -29.597 -9.851 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.526 -29.243 -10.611 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 20.262 -30.089 -10.281 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 19.994 -26.397 -14.391 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 20.910 -26.220 -14.080 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 19.613 -25.502 -14.526 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 25.723 -21.703 -7.406 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 25.796 -20.785 -7.077 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 26.445 -22.181 -6.948 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 19.042 -31.088 -11.094 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 18.487 -31.674 -10.542 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 18.393 -30.586 -11.631 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.905 -25.138 -7.603 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 25.430 -24.753 -8.341 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.555 -24.356 -7.125 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 22.117 -28.553 -12.027 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 21.304 -28.727 -12.551 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 22.818 -28.465 -12.698 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.942 -29.295 -6.391 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.493 -29.944 -5.937 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 23.447 -29.828 -7.054 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 28.048 -22.379 -10.315 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 28.659 -22.386 -11.059 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 28.544 -21.903 -9.603 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 16.414 -38.039 -10.248 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 16.540 -37.426 -11.003 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 16.695 -38.894 -10.587 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.310 -26.954 -5.630 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 25.267 -26.420 -6.455 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 24.968 -27.830 -5.894 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 22.438 -30.964 -8.017 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 21.984 -30.448 -8.721 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 22.591 -31.836 -8.428 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 21.673 -33.019 -9.830 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 21.558 -33.979 -10.005 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.828 -32.746 -9.460 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 20.465 -35.443 -10.240 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 19.752 -35.132 -10.830 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 20.164 -36.303 -9.937 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 18.819 -23.932 -14.866 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 18.599 -23.207 -15.462 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 19.588 -23.588 -14.343 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.661 -28.128 -14.294 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.580 -29.113 -14.242 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.113 -27.975 -15.128 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 17.102 -32.723 -10.028 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 16.479 -33.480 -10.087 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 16.542 -31.985 -9.720 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.772 -28.907 -13.342 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 19.788 -28.022 -13.762 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 19.077 -29.379 -13.810 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 28.308 -20.435 -6.111 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 28.440 -19.982 -5.244 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 28.156 -21.375 -5.870 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.884 -21.597 -8.946 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.602 -22.238 -8.267 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.456 -20.963 -8.457 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 23.878 -19.693 -11.738 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.406 -19.102 -12.283 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 24.538 -20.136 -11.151 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 22.496 -22.070 -11.554 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 22.949 -21.237 -11.812 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 22.223 -21.911 -10.622 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.054 -23.423 -13.493 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.667 -24.186 -13.545 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.496 -22.805 -12.873 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 26.188 -24.362 -9.932 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 26.772 -23.576 -10.030 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 26.707 -25.088 -10.299 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 15.895 -32.014 1.301 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 14.979 -31.861 1.049 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 15.835 -32.593 2.092 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 21.557 -32.649 10.943 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 21.470 -32.352 10.026 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 22.049 -33.500 10.874 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 17.172 -25.434 -4.782 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 17.977 -25.871 -5.125 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 17.363 -24.472 -4.879 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.747 -25.429 14.062 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 23.607 -25.388 15.016 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 22.848 -25.491 13.691 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 20.354 -28.297 7.552 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 21.183 -28.542 7.135 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 20.258 -28.942 8.291 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 23.634 -19.456 9.459 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 22.761 -19.898 9.548 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 23.514 -18.845 8.728 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 17.489 -30.451 -4.559 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 17.122 -30.436 -5.469 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 18.394 -30.135 -4.664 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 17.660 -25.838 14.582 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 18.039 -26.518 15.146 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.045 -24.998 14.931 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 17.898 -23.975 10.124 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.229 -23.784 11.022 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.465 -24.702 9.811 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 19.399 -23.453 12.907 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 19.184 -23.273 13.849 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 20.030 -24.200 12.949 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 16.679 -34.477 5.839 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 15.912 -34.252 6.394 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 17.314 -34.873 6.458 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 20.573 -25.450 16.177 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 19.959 -24.686 16.112 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 21.211 -25.187 16.878 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 18.675 -26.263 8.277 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 18.063 -26.814 8.798 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 19.351 -26.904 7.951 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 21.112 -29.500 -3.792 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 20.549 -30.119 -3.268 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 21.825 -29.266 -3.190 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 18.023 -30.900 11.016 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 17.154 -30.912 11.464 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 18.617 -31.372 11.645 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 19.495 -21.028 11.658 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 19.459 -21.945 12.017 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 19.863 -20.502 12.401 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 27.114 -25.237 -4.431 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.445 -25.845 -4.821 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 27.565 -25.776 -3.773 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 19.068 -22.756 -2.220 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.943 -22.554 -2.616 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 19.094 -22.311 -1.349 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 19.519 -31.171 -2.383 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 19.056 -31.903 -2.807 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 19.038 -31.042 -1.539 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 24.384 -22.286 -3.731 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 25.110 -22.833 -3.402 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 24.646 -21.383 -3.506 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 18.394 -23.852 -7.185 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 19.366 -23.781 -7.294 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 18.219 -23.420 -6.324 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 20.742 -29.406 -6.480 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 20.943 -29.440 -5.517 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 21.280 -30.128 -6.860 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.955 -21.403 -0.506 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 22.447 -21.074 0.252 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.019 -21.400 -0.205 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.839 -19.855 10.980 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 26.100 -20.714 10.642 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.024 -19.635 10.473 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 27.717 -23.099 -6.001 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 27.460 -23.799 -5.351 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 28.350 -23.540 -6.580 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 22.556 -25.609 -8.915 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 22.833 -25.340 -9.819 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 23.396 -25.629 -8.406 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 17.556 -27.101 12.095 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 17.394 -26.492 12.843 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 18.411 -27.526 12.320 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 22.378 -26.835 -6.124 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.116 -26.337 -5.740 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 22.725 -27.745 -6.208 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 20.308 -30.020 9.664 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 20.884 -29.886 10.441 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 19.465 -30.334 10.043 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 19.895 -35.293 10.200 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 20.854 -35.186 10.020 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.868 -35.780 11.040 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 19.386 -30.593 14.625 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 20.308 -30.616 14.955 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 19.351 -31.323 13.968 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 22.220 -30.863 14.778 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 23.045 -30.652 15.277 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 22.288 -31.823 14.608 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.307 -38.932 13.180 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 23.913 -39.732 12.769 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.253 -39.024 13.015 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 24.566 -33.867 13.067 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.953 -34.214 13.879 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.648 -33.647 13.318 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.267 -18.934 -3.871 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.823 -18.674 -3.131 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 27.710 -18.147 -4.043 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 17.743 -23.475 3.967 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 18.106 -23.652 4.861 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 17.982 -24.257 3.457 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 18.849 -24.287 6.380 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 19.809 -24.199 6.431 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 18.646 -25.036 6.991 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 18.061 -31.201 -0.066 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 18.770 -31.196 0.587 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 17.263 -31.481 0.449 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 18.261 -36.151 8.039 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.690 -36.989 7.827 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 18.832 -35.760 8.734 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 22.539 -37.356 11.798 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 23.142 -37.804 12.427 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 21.875 -36.913 12.373 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 17.316 -22.489 7.839 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 17.511 -22.882 8.715 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 17.890 -22.983 7.225 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 21.084 -20.516 9.428 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 20.394 -20.422 8.768 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 20.599 -20.738 10.252 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 14.876 -22.985 1.911 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 15.763 -22.579 1.876 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 14.757 -23.373 1.017 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 20.718 -35.765 13.077 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 19.777 -35.541 13.218 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 21.204 -35.010 13.458 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 19.297 -21.234 0.132 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 18.963 -20.417 -0.301 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 18.689 -21.371 0.882 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 22.934 -28.193 24.363 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 22.292 -28.932 24.357 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.381 -27.398 24.269 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 28.110 -19.944 23.399 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 28.158 -20.758 22.836 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 27.500 -20.182 24.106 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.983 -29.920 24.831 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.299 -29.216 24.755 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 25.451 -29.888 23.978 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.011 -30.788 21.985 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 22.528 -30.623 22.815 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 23.518 -31.608 22.161 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 28.493 -18.621 20.208 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 28.339 -17.705 19.898 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 29.220 -18.539 20.848 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.334 -23.584 26.230 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.346 -24.324 26.884 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.573 -24.004 25.398 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 25.359 -38.359 24.080 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 24.489 -38.800 24.005 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.973 -39.082 24.266 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 30.402 -19.033 22.292 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 30.807 -19.887 22.093 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 29.584 -19.267 22.794 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 20.175 -24.950 29.017 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 19.753 -24.999 28.137 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 20.365 -24.010 29.137 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 28.275 -22.029 21.691 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 27.846 -21.637 20.902 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 28.365 -22.980 21.463 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 22.024 -30.035 19.493 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 22.373 -30.240 20.388 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.385 -30.734 18.933 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 23.988 -20.920 26.786 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 24.226 -21.859 26.590 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.557 -20.617 25.980 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 25.300 -16.861 18.494 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 24.957 -17.288 17.692 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 24.715 -16.088 18.626 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 29.629 -19.566 16.898 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 30.154 -19.632 17.703 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 29.825 -18.687 16.557 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 29.652 -37.540 29.180 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 29.872 -37.302 28.275 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 29.073 -36.808 29.485 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 24.758 -30.491 15.846 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 25.408 -30.846 16.490 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.246 -29.813 15.372 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 26.385 -33.270 30.187 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 26.125 -33.446 31.111 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 26.086 -32.349 30.022 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 22.115 -33.594 14.304 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 22.601 -34.312 14.783 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 21.316 -33.437 14.858 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 25.764 -30.277 22.129 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 24.869 -29.952 21.918 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 25.651 -31.251 22.192 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 19.827 -28.310 13.017 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 19.541 -28.960 13.689 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 20.541 -28.774 12.530 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 27.226 -29.716 19.830 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 27.261 -28.756 19.851 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 26.819 -29.960 20.688 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 26.401 -33.416 24.915 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 26.905 -32.808 24.361 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.977 -33.563 25.701 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.954 -24.667 17.148 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 25.370 -24.299 17.952 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.018 -24.794 17.405 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 24.298 -25.556 28.100 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 24.378 -26.491 28.303 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.180 -25.128 28.978 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 27.068 -20.874 19.484 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 27.488 -20.042 19.797 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 26.865 -20.694 18.541 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 25.075 -31.011 29.344 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 25.021 -31.259 28.390 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 24.771 -30.094 29.366 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 22.389 -24.866 18.144 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 22.589 -24.131 18.780 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 22.186 -25.632 18.720 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.807 -21.619 29.454 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.820 -21.366 28.507 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.973 -22.578 29.448 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 25.970 -23.898 14.736 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 25.337 -24.411 14.194 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 25.729 -24.131 15.661 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 28.120 -24.516 20.520 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 28.432 -25.134 19.857 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 27.240 -24.227 20.185 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.875 -19.880 17.447 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 20.393 -20.453 16.805 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 21.308 -20.531 18.063 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 27.850 -35.543 29.819 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 27.435 -34.656 29.853 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 27.466 -36.009 30.594 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 25.833 -23.447 19.505 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 24.885 -23.393 19.792 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 26.142 -22.519 19.525 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 26.822 -31.220 17.562 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 27.016 -32.111 17.869 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 27.033 -30.648 18.334 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 27.854 -33.628 27.245 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 28.100 -32.906 27.836 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 27.935 -34.422 27.794 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.844 -34.795 18.090 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 24.297 -34.914 18.950 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 23.067 -34.241 18.305 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 22.149 -21.358 31.615 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 21.943 -22.272 31.879 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 22.702 -21.459 30.814 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 27.158 -21.504 14.448 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 26.602 -22.323 14.513 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 28.036 -21.835 14.234 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 20.935 -25.747 13.514 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.568 -26.610 13.242 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 20.814 -25.733 14.492 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 20.467 -26.362 31.299 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.393 -25.882 30.439 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.816 -27.073 31.229 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 21.378 -27.358 19.006 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 21.604 -28.290 19.217 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 20.979 -27.403 18.132 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.055 -33.902 28.659 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 24.065 -33.285 27.906 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 24.956 -33.849 29.021 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 21.655 -30.153 12.135 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 21.993 -30.180 13.055 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 21.771 -31.071 11.812 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.867 -31.859 26.741 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.288 -32.546 26.190 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 24.813 -31.077 26.141 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.597 -37.347 30.645 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 24.329 -37.702 30.118 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.780 -37.670 31.554 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 24.873 -34.136 32.509 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 24.448 -34.164 33.392 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 24.366 -33.444 32.027 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.328 -36.481 31.876 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 25.875 -37.182 32.390 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 25.903 -35.653 32.179 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 22.796 -39.298 27.862 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 23.283 -39.396 28.692 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 22.711 -40.211 27.531 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.512 -38.264 33.030 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.488 -39.243 32.972 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.167 -38.070 33.930 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.353 -18.130 15.938 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.552 -18.374 15.004 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.801 -18.832 16.465 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.006 -24.257 30.475 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 23.189 -24.264 31.025 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 24.709 -24.047 31.102 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 24.667 -18.323 28.075 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 24.351 -19.114 27.604 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 25.238 -18.684 28.786 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 24.637 -35.093 20.721 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 23.687 -35.282 20.896 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.101 -35.474 21.497 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 23.375 -35.605 15.551 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 23.449 -36.581 15.610 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 23.621 -35.292 16.454 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.979 -20.143 16.837 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 27.946 -19.973 16.916 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 26.905 -20.730 16.056 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 15.385 -28.290 36.022 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 16.048 -27.610 35.857 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 15.868 -29.137 35.885 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.605 -21.670 39.895 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 21.212 -21.601 39.008 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 21.377 -22.564 40.184 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 16.763 -30.661 35.791 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 17.598 -31.000 35.401 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 16.480 -31.362 36.385 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 18.811 -26.653 39.176 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 19.333 -25.822 39.258 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.141 -26.443 38.513 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 18.892 -36.163 39.705 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 18.689 -36.650 38.882 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 19.192 -35.277 39.390 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 20.535 -21.957 37.213 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 21.062 -21.272 36.780 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 19.603 -21.631 37.128 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 24.803 -37.592 43.862 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 24.037 -37.269 44.381 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.030 -36.837 43.287 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 18.965 -25.345 34.817 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 18.267 -25.369 35.509 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 18.507 -25.598 34.013 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 19.159 -19.198 41.829 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 18.397 -19.387 42.381 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 18.877 -19.458 40.929 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 25.467 -19.605 40.007 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 26.156 -19.962 40.613 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 24.623 -19.751 40.494 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 19.536 -19.018 35.428 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 19.019 -19.669 35.956 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 18.862 -18.463 35.008 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 25.388 -38.204 50.125 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 25.516 -38.287 49.152 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 26.282 -38.179 50.478 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 23.071 -33.695 34.550 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.654 -33.940 35.391 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 22.315 -33.563 33.940 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.551 -33.341 42.614 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.755 -32.590 43.184 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 21.918 -33.877 43.143 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 21.937 -33.481 37.296 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 22.845 -33.098 37.337 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 21.346 -32.695 37.296 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 18.404 -34.609 41.924 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 18.491 -33.755 41.479 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 18.404 -35.259 41.194 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 19.804 -33.719 39.123 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 19.582 -32.844 38.751 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 20.687 -33.909 38.759 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 20.203 -29.045 38.868 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 20.984 -28.832 39.388 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 19.627 -28.257 38.969 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 24.425 -32.466 36.840 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 24.339 -32.736 35.910 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 25.338 -32.172 36.919 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.065 -31.437 37.526 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.055 -30.553 37.963 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 19.709 -31.266 36.627 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 19.448 -36.133 35.210 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 18.861 -36.639 35.798 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 18.829 -35.596 34.651 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 27.429 -34.772 46.793 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 27.176 -34.153 46.092 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 26.590 -34.979 47.241 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 18.145 -19.599 39.300 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 18.134 -20.052 38.417 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 18.437 -18.685 39.091 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.519 -16.877 39.288 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.349 -15.907 39.248 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.084 -17.164 40.121 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 20.453 -36.911 41.787 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 19.853 -36.769 41.020 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 21.321 -36.561 41.477 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 21.878 -24.117 32.196 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 21.297 -24.885 32.021 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 21.721 -23.910 33.150 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 21.188 -23.802 34.829 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 21.020 -23.198 35.568 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 20.426 -24.426 34.852 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 19.938 -24.096 39.068 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 20.252 -23.565 38.313 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 19.196 -23.568 39.438 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 26.867 -21.383 32.023 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 26.259 -21.432 32.763 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 27.754 -21.494 32.432 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 25.221 -19.602 37.307 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 25.352 -19.617 38.282 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 25.425 -20.499 37.029 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 19.062 -31.928 34.996 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 18.808 -31.974 34.040 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 19.303 -32.837 35.214 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 21.951 -18.235 34.526 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.097 -18.589 34.869 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 22.459 -18.010 35.337 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 22.360 -28.158 32.145 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 21.758 -27.440 31.862 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 22.599 -27.925 33.046 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 21.580 -30.372 30.726 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 20.724 -30.066 30.380 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 21.896 -29.623 31.277 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 23.387 -32.361 31.118 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 23.963 -31.946 30.446 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 22.601 -31.766 31.153 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.762 -34.992 42.748 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 25.202 -34.655 43.557 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 24.073 -34.327 42.565 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 25.141 -33.879 45.242 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 25.083 -34.594 45.910 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.324 -33.359 45.380 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 24.812 -35.748 47.218 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 25.091 -36.683 47.317 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 23.864 -35.759 47.425 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 21.660 -35.728 49.991 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 21.070 -35.417 50.684 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 22.119 -36.498 50.392 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.813 -38.047 50.934 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 22.819 -38.540 51.762 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 23.756 -38.075 50.630 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 23.306 -17.721 36.791 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.947 -17.520 37.681 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 24.017 -18.381 36.960 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 22.576 -33.016 45.803 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.959 -32.377 46.171 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 22.372 -33.848 46.281 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 17.757 -28.215 41.477 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 17.314 -28.841 40.899 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.135 -27.556 40.871 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 17.257 -15.656 41.615 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 16.767 -16.409 41.243 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 16.675 -14.889 41.450 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.354 -17.650 41.657 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 20.974 -16.770 41.858 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 20.597 -18.270 41.784 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.078 -19.861 41.399 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 22.470 -19.105 41.538 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 22.536 -20.517 40.902 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 28.362 -37.339 46.808 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 28.109 -36.387 46.808 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 29.243 -37.347 46.427 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 22.709 -35.635 40.852 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.542 -34.702 41.083 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 23.603 -35.809 41.204 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 20.733 -33.947 32.929 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 19.938 -33.393 32.733 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 20.357 -34.798 33.218 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 21.788 -36.135 36.582 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 21.829 -35.200 36.874 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 20.955 -36.185 36.053 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 29.092 -21.563 33.622 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 29.959 -21.799 33.957 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 28.719 -20.966 34.311 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.761 -35.214 47.333 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.794 -35.186 47.168 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.831 -35.295 48.313 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 22.117 -38.364 48.215 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 21.375 -37.757 48.075 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 22.279 -38.329 49.176 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 22.831 -18.730 32.068 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.568 -19.643 31.817 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 22.588 -18.668 33.021 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.793 -20.020 -5.275 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 20.896 -19.704 -5.434 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 21.695 -20.662 -4.545 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.330 -19.677 -7.521 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 24.218 -19.401 -7.226 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 22.812 -19.748 -6.686 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 18.680 -17.785 -3.425 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 19.141 -17.115 -3.936 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 17.799 -17.846 -3.846 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 22.182 -18.500 -9.847 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 22.652 -18.791 -9.045 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 22.702 -18.880 -10.580 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 25.914 -19.090 -6.391 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 26.846 -19.392 -6.420 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.947 -18.275 -5.866 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 29.529 -21.024 -8.495 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 29.081 -20.734 -7.670 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 30.417 -20.660 -8.421 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 26.718 -16.756 -4.624 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 27.193 -15.997 -4.987 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 25.949 -16.369 -4.187 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 19.794 -19.806 -9.359 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 20.435 -20.538 -9.314 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 20.337 -19.037 -9.627 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.174 -23.808 -7.374 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.883 -23.558 -6.744 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.611 -24.436 -7.986 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 23.622 -23.058 -6.278 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 24.181 -22.429 -6.785 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.783 -22.813 -5.341 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 16.363 -12.595 10.354 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 16.858 -12.484 11.194 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 16.465 -11.731 9.900 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 15.842 -17.757 1.756 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 15.885 -17.791 0.779 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 16.279 -16.907 1.984 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 16.945 -15.214 9.703 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 17.190 -15.539 10.599 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 16.791 -14.256 9.836 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 17.990 -18.467 13.129 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.846 -18.896 13.342 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 17.473 -19.168 12.693 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 16.063 -13.661 14.507 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 16.848 -13.763 15.095 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 16.444 -13.375 13.657 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 22.223 -14.839 14.156 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.318 -15.781 14.422 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 23.012 -14.410 14.527 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 20.425 -14.898 17.386 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 20.752 -15.819 17.462 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 20.203 -14.645 18.306 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 26.278 -19.066 13.515 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 26.043 -19.263 12.576 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.596 -19.928 13.864 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 27.490 -16.574 13.518 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 27.058 -17.455 13.494 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 27.747 -16.414 12.608 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 17.172 -4.946 3.328 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 16.800 -4.459 2.586 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 18.011 -4.509 3.505 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.045 -14.485 12.555 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.553 -14.584 11.743 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.722 -14.563 13.272 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 16.214 -14.954 7.023 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 16.587 -15.271 7.874 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 16.709 -14.120 6.841 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 16.202 -20.943 -0.401 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 16.497 -21.125 0.511 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 16.883 -20.332 -0.754 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 16.809 -20.426 11.313 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 17.739 -20.737 11.282 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 16.774 -19.705 10.648 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 17.167 -21.465 2.190 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 16.745 -20.753 2.723 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 17.502 -22.102 2.865 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.604 -21.937 -3.151 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.446 -22.326 -3.445 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 21.771 -21.695 -2.209 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 20.231 -19.765 13.991 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 21.053 -19.423 14.373 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 19.938 -20.466 14.635 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 22.769 -17.304 15.261 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 23.677 -17.632 15.416 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 22.362 -17.303 16.150 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 28.588 -9.556 23.249 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 29.433 -9.392 23.693 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 28.760 -10.334 22.697 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.389 -8.124 24.777 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.149 -7.573 24.480 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 20.803 -8.826 25.321 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 26.842 -7.791 24.423 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 27.277 -8.454 23.842 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 27.469 -7.694 25.175 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 27.628 -15.530 26.024 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 28.254 -15.385 25.279 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 28.121 -16.125 26.644 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 29.254 -14.768 23.990 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 29.969 -15.360 23.653 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 28.783 -14.482 23.182 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 25.193 -11.028 24.714 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 24.656 -10.373 24.216 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 25.286 -11.775 24.094 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 24.568 -10.020 27.666 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 23.824 -9.508 28.049 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 24.699 -9.619 26.780 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 36.119 -11.403 26.042 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 36.786 -12.095 26.028 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 35.715 -11.476 26.937 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 22.236 -8.900 28.399 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 21.572 -8.610 29.060 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 21.702 -9.257 27.657 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 15.862 -9.501 20.432 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 16.587 -9.850 19.874 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 16.203 -8.667 20.770 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 25.493 -13.400 20.931 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 25.108 -12.501 20.823 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 25.046 -13.934 20.238 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 34.049 -9.936 25.056 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 34.469 -9.125 24.752 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 34.804 -10.522 25.299 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 21.864 -8.241 21.345 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 21.808 -7.443 20.810 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 21.129 -8.804 21.014 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 24.458 -8.055 25.728 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 25.304 -8.054 25.225 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.788 -7.790 25.067 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 23.907 -6.755 28.125 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 23.194 -7.408 28.276 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.295 -7.028 27.266 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 24.049 -6.973 31.113 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 23.954 -6.864 30.149 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 23.208 -6.639 31.477 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 21.628 -11.844 19.523 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 21.002 -12.560 19.773 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 21.931 -12.101 18.624 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 18.661 -9.042 22.737 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 19.370 -8.709 23.326 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 19.134 -9.360 21.944 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 25.004 -4.392 28.967 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 24.485 -3.712 28.532 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 24.655 -5.235 28.599 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 36.229 -9.420 29.798 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 37.156 -9.376 29.553 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 35.854 -10.098 29.202 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 25.099 -16.425 26.118 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 24.980 -17.065 26.853 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 26.064 -16.267 26.092 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 32.600 -10.090 27.456 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 33.061 -9.914 26.610 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 31.658 -10.190 27.196 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 27.294 -16.064 16.203 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 26.643 -16.776 16.322 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 27.518 -16.105 15.248 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 28.184 -14.037 21.429 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 27.265 -13.722 21.294 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 28.287 -14.750 20.772 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 29.873 -11.783 21.906 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 30.260 -11.773 21.024 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 29.291 -12.571 21.902 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 24.536 -13.919 15.492 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 25.151 -14.607 15.795 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 25.072 -13.360 14.916 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 28.772 -17.139 27.849 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 28.225 -17.098 28.670 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 29.250 -17.969 27.928 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 22.522 -13.131 17.268 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 21.736 -13.669 17.021 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 23.166 -13.307 16.551 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.385 -9.948 32.338 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 20.876 -10.778 32.208 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 20.995 -9.553 33.144 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 25.503 -13.532 23.666 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 24.693 -14.006 23.916 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 25.524 -13.586 22.686 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 33.143 -6.714 29.526 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 32.351 -6.630 28.948 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 33.722 -6.004 29.237 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 29.659 -13.058 26.178 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 29.891 -13.701 26.857 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 29.598 -13.587 25.355 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 29.163 -5.628 30.164 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 28.204 -5.606 30.409 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 29.563 -4.954 30.722 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 30.094 -10.353 26.331 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 29.828 -11.296 26.412 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 30.522 -10.304 25.446 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 17.943 -12.611 12.743 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 18.635 -13.277 12.541 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.200 -12.265 13.610 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 23.635 -9.824 22.802 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.954 -9.258 22.390 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 24.002 -10.333 22.055 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 28.787 -7.927 26.394 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 29.237 -8.784 26.242 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 28.601 -7.927 27.355 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 18.026 -8.426 26.234 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 18.764 -8.147 25.647 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 18.335 -8.176 27.140 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 19.870 -9.836 20.298 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 19.103 -10.022 19.711 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 20.525 -10.526 20.055 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 27.252 -17.423 30.074 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 26.812 -18.298 30.121 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 26.854 -16.921 30.791 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 27.807 -16.146 19.147 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 28.046 -15.928 18.229 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 26.875 -16.459 19.078 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 34.117 -11.582 31.077 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 34.036 -10.611 30.986 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 34.400 -11.709 32.010 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 31.305 -10.362 23.932 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 31.045 -10.950 23.196 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 32.272 -10.452 23.985 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 19.838 -13.885 19.975 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 19.883 -14.232 20.877 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 18.907 -13.549 19.891 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 18.064 -9.903 32.566 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 18.640 -10.682 32.411 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 17.757 -9.652 31.671 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 26.714 -9.817 29.404 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 25.995 -9.728 28.746 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 27.351 -9.106 29.168 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 30.929 -6.204 28.000 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.423 -6.636 27.295 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 30.250 -5.902 28.632 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 24.118 -11.098 20.423 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.305 -10.413 19.772 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 23.202 -11.389 20.210 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 29.834 -12.135 29.960 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.156 -11.239 29.736 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 28.988 -11.974 30.427 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 31.774 -9.628 32.657 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 31.879 -10.596 32.654 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 32.631 -9.293 32.322 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 33.882 -8.837 31.041 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 33.540 -8.050 30.551 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 34.809 -8.928 30.721 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 23.629 -16.707 30.447 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 23.889 -17.052 29.578 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.424 -17.514 30.974 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 31.724 -12.569 31.911 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 31.045 -12.591 31.201 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 32.562 -12.406 31.434 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 27.897 -19.963 35.481 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 28.264 -19.629 36.326 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 27.109 -19.422 35.338 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 25.840 -19.792 30.072 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 26.370 -20.289 30.736 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 25.057 -20.361 29.926 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 29.813 -15.423 35.766 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 30.617 -15.937 35.892 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 30.096 -14.677 35.187 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 34.831 -11.400 28.450 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 34.624 -11.742 29.348 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 33.983 -11.004 28.145 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 20.853 -7.939 30.590 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 21.061 -8.740 31.120 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 21.001 -7.200 31.215 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 22.707 -7.034 23.785 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 22.564 -7.429 22.907 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 23.499 -6.462 23.666 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 25.154 -5.790 23.617 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 25.771 -6.535 23.796 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 25.677 -5.005 23.792 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 31.097 -16.505 23.018 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 30.852 -17.410 22.717 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 32.033 -16.570 23.221 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 21.756 -17.331 17.835 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 22.157 -17.334 18.729 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 21.444 -18.261 17.708 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 23.798 -14.685 19.157 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 23.100 -15.267 19.515 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 23.324 -14.090 18.540 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 22.154 -14.152 38.918 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 22.470 -13.258 38.665 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 21.198 -14.032 39.068 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 22.800 -11.679 37.808 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 23.633 -11.174 37.906 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 22.459 -11.406 36.936 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 28.489 -16.998 39.784 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 28.216 -16.864 40.711 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 28.441 -16.106 39.386 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 24.730 -12.779 41.344 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 25.128 -13.682 41.339 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 23.789 -12.938 41.587 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 26.259 -12.606 38.975 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 27.189 -12.472 39.259 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 25.747 -12.587 39.812 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 23.418 -14.872 44.818 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 24.195 -14.274 44.943 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 22.961 -14.841 45.663 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 25.842 -15.215 41.269 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 25.639 -15.839 40.539 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 26.615 -15.615 41.717 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 20.968 -8.695 34.776 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 21.496 -9.502 34.959 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 20.455 -8.560 35.596 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 25.003 -19.520 43.332 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 24.223 -19.750 42.784 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 24.912 -18.558 43.484 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 29.430 -8.789 33.910 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 30.342 -9.004 33.610 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 29.107 -8.166 33.250 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 28.982 -11.496 33.706 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 29.116 -10.534 33.837 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 28.618 -11.563 32.796 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 25.243 -10.428 37.628 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 26.007 -10.015 37.187 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 25.628 -11.197 38.102 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 31.011 -9.627 29.795 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 31.749 -9.638 29.151 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 31.443 -9.478 30.653 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 22.010 -11.195 35.156 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 21.283 -11.848 35.274 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 22.436 -11.466 34.316 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 24.919 -16.749 43.436 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 24.308 -16.314 44.064 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 24.933 -16.148 42.669 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 34.531 -11.324 33.756 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 34.016 -11.623 34.512 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 35.167 -10.704 34.129 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 27.492 -16.913 36.075 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 27.820 -17.602 36.681 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 28.300 -16.429 35.804 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 25.510 -13.226 45.331 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 26.234 -13.073 45.942 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 25.656 -12.565 44.615 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 27.720 -12.035 36.005 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 28.004 -12.042 35.066 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 27.429 -11.113 36.155 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 28.963 -12.316 39.510 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 29.548 -12.167 38.731 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 29.429 -11.896 40.240 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 18.464 -16.931 38.715 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 18.733 -16.587 37.838 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 18.790 -16.262 39.340 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 25.996 -11.429 43.337 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 26.087 -10.532 43.009 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 25.533 -11.905 42.611 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 25.227 -16.950 39.279 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 24.244 -16.992 39.331 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 25.516 -17.863 39.497 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 27.310 -9.321 36.025 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 26.559 -8.762 35.737 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 28.055 -9.024 35.470 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 30.868 -13.294 34.411 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 30.152 -12.648 34.221 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 31.399 -13.300 33.585 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 30.173 -12.488 37.090 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 29.287 -12.285 36.715 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 30.699 -12.759 36.318 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 26.529 -5.644 30.887 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 26.079 -5.064 30.234 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 25.827 -6.256 31.180 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 24.809 -8.267 35.525 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 24.424 -8.850 36.197 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 24.464 -8.619 34.673 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 19.982 -13.046 35.127 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 19.062 -12.705 35.122 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 20.053 -13.550 34.287 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 28.436 -14.730 38.156 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 29.023 -14.825 37.378 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 28.702 -13.878 38.553 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 28.697 -18.851 37.841 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 29.034 -19.616 38.320 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 28.596 -18.158 38.540 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 23.873 -5.872 34.444 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 24.208 -6.671 34.901 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 24.644 -5.305 34.364 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 19.977 -15.192 41.659 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 19.041 -15.398 41.881 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 19.921 -14.756 40.787 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 23.912 -8.997 33.033 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 24.091 -8.286 32.380 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 23.039 -9.353 32.762 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 28.805 -8.124 29.092 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 28.969 -7.281 29.565 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 29.589 -8.679 29.313 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 25.454 -11.214 32.961 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 24.653 -11.757 33.034 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 25.119 -10.295 32.987 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 27.600 -11.401 31.358 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 26.834 -11.407 31.979 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 27.310 -10.797 30.631 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 21.769 -6.647 32.866 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 22.472 -6.201 33.389 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 21.357 -7.261 33.503 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 22.406 -13.864 42.449 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 22.668 -14.274 43.297 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 21.544 -14.268 42.244 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 27.064 -20.638 41.991 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 26.370 -20.264 42.583 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 27.410 -21.388 42.479 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 27.594 -16.901 42.505 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 28.273 -17.378 42.994 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 26.762 -17.112 42.979 1.00 0.00 WAT1 END