REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1403.97, 65.3943, 84.0076, 36.6641, 400.091, -360.548, -1631.76, 2.00965, 0.169958 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.871396E-03,0.469519,1.18477,42.6362,4.06782E-03,0.169587 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 27, 8 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:37 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -0.131 -7.207 -14.915 1.00 43.01 ATOM 2 CB MET 1 -1.788 -5.927 -14.442 1.00 12.14 ATOM 3 HB1 MET 1 -2.499 -6.346 -15.139 1.00 37.53 ATOM 4 HB2 MET 1 -1.267 -5.113 -14.925 1.00 43.14 ATOM 5 CG MET 1 -2.562 -5.360 -13.258 1.00 14.21 ATOM 6 HG1 MET 1 -3.356 -4.728 -13.633 1.00 37.53 ATOM 7 HG2 MET 1 -1.889 -4.768 -12.656 1.00 43.42 ATOM 8 SD MET 1 -3.286 -6.643 -12.218 1.00 22.43 ATOM 9 CE MET 1 -4.043 -5.644 -10.934 1.00 51.41 ATOM 10 HE1 MET 1 -4.778 -4.987 -11.376 1.00 34.12 ATOM 11 HE2 MET 1 -3.284 -5.054 -10.441 1.00 51.15 ATOM 12 HE3 MET 1 -4.523 -6.288 -10.212 1.00 21.42 ATOM 13 C MET 1 0.109 -6.535 -12.898 1.00 3.42 ATOM 14 O MET 1 1.124 -5.870 -13.108 1.00 21.05 ATOM 15 N MET 1 -1.464 -8.280 -13.724 1.00 44.41 ATOM 16 HT1 MET 1 -2.129 -8.130 -12.939 1.00 37.53 ATOM 17 HT2 MET 1 -0.773 -9.005 -13.440 1.00 37.53 ATOM 18 HT3 MET 1 -1.992 -8.628 -14.548 1.00 37.53 ATOM 19 CA MET 1 -0.768 -7.013 -14.064 1.00 43.15 ATOM 20 N GLY 2 -0.281 -6.886 -11.670 1.00 31.21 ATOM 21 HN GLY 2 -1.088 -7.433 -11.557 1.00 37.53 ATOM 22 CA GLY 2 0.478 -6.475 -10.493 1.00 41.43 ATOM 23 HA1 GLY 2 0.780 -5.443 -10.617 1.00 37.53 ATOM 24 HA2 GLY 2 1.364 -7.088 -10.419 1.00 34.51 ATOM 25 C GLY 2 -0.316 -6.603 -9.195 1.00 60.51 ATOM 26 O GLY 2 -1.238 -7.413 -9.101 1.00 71.41 ATOM 27 N HIS 3 0.050 -5.800 -8.195 1.00 23.24 ATOM 28 HN HIS 3 0.802 -5.187 -8.337 1.00 37.53 ATOM 29 CA HIS 3 -0.618 -5.817 -6.881 1.00 21.14 ATOM 30 HA HIS 3 -0.443 -6.791 -6.445 1.00 41.51 ATOM 31 CB HIS 3 0.006 -4.755 -5.961 1.00 12.23 ATOM 32 HB1 HIS 3 1.052 -4.989 -5.817 1.00 37.53 ATOM 33 HB2 HIS 3 -0.492 -4.782 -5.005 1.00 40.13 ATOM 34 CG HIS 3 -0.079 -3.344 -6.479 1.00 43.15 ATOM 35 ND1 HIS 3 0.123 -2.243 -5.676 1.00 43.33 ATOM 36 HD1 HIS 3 0.314 -2.264 -4.714 1.00 30.15 ATOM 37 CD2 HIS 3 -0.320 -2.853 -7.721 1.00 50.02 ATOM 38 HD2 HIS 3 -0.525 -3.433 -8.610 1.00 43.30 ATOM 39 CE1 HIS 3 0.010 -1.145 -6.394 1.00 41.41 ATOM 40 HE1 HIS 3 0.120 -0.136 -6.024 1.00 42.12 ATOM 41 NE2 HIS 3 -0.256 -1.484 -7.638 1.00 71.02 ATOM 42 HE2 HIS 3 -0.188 -0.876 -8.407 1.00 37.53 ATOM 43 C HIS 3 -2.144 -5.601 -6.987 1.00 4.34 ATOM 44 O HIS 3 -2.614 -4.797 -7.793 1.00 64.01 ATOM 45 N HIS 4 -2.911 -6.319 -6.161 1.00 53.11 ATOM 46 HN HIS 4 -2.480 -6.922 -5.518 1.00 37.53 ATOM 47 CA HIS 4 -4.379 -6.227 -6.179 1.00 53.44 ATOM 48 HA HIS 4 -4.662 -5.632 -7.036 1.00 53.41 ATOM 49 CB HIS 4 -4.992 -7.625 -6.329 1.00 51.02 ATOM 50 HB1 HIS 4 -6.069 -7.539 -6.366 1.00 37.53 ATOM 51 HB2 HIS 4 -4.716 -8.228 -5.475 1.00 34.11 ATOM 52 CG HIS 4 -4.543 -8.344 -7.565 1.00 13.30 ATOM 53 ND1 HIS 4 -3.456 -9.187 -7.587 1.00 75.41 ATOM 54 HD1 HIS 4 -2.892 -9.411 -6.817 1.00 55.54 ATOM 55 CD2 HIS 4 -5.036 -8.344 -8.827 1.00 72.10 ATOM 56 HD2 HIS 4 -5.894 -7.789 -9.183 1.00 41.31 ATOM 57 CE1 HIS 4 -3.295 -9.670 -8.799 1.00 10.52 ATOM 58 HE1 HIS 4 -2.524 -10.360 -9.107 1.00 13.11 ATOM 59 NE2 HIS 4 -4.239 -9.177 -9.572 1.00 10.15 ATOM 60 HE2 HIS 4 -4.448 -9.502 -10.473 1.00 37.53 ATOM 61 C HIS 4 -4.923 -5.547 -4.908 1.00 55.43 ATOM 62 O HIS 4 -4.878 -6.114 -3.815 1.00 20.22 ATOM 63 N HIS 5 -5.432 -4.328 -5.070 1.00 21.21 ATOM 64 HN HIS 5 -5.416 -3.932 -5.963 1.00 37.53 ATOM 65 CA HIS 5 -6.007 -3.555 -3.957 1.00 33.25 ATOM 66 HA HIS 5 -5.231 -3.431 -3.213 1.00 24.32 ATOM 67 CB HIS 5 -6.434 -2.166 -4.451 1.00 14.33 ATOM 68 HB1 HIS 5 -5.554 -1.551 -4.577 1.00 37.53 ATOM 69 HB2 HIS 5 -7.078 -1.708 -3.713 1.00 3.54 ATOM 70 CG HIS 5 -7.174 -2.184 -5.759 1.00 42.55 ATOM 71 ND1 HIS 5 -8.519 -2.476 -5.874 1.00 14.23 ATOM 72 HD1 HIS 5 -9.124 -2.706 -5.135 1.00 74.33 ATOM 73 CD2 HIS 5 -6.741 -1.944 -7.020 1.00 3.00 ATOM 74 HD2 HIS 5 -5.735 -1.683 -7.314 1.00 43.33 ATOM 75 CE1 HIS 5 -8.875 -2.413 -7.142 1.00 24.43 ATOM 76 HE1 HIS 5 -9.868 -2.593 -7.529 1.00 51.00 ATOM 77 NE2 HIS 5 -7.817 -2.093 -7.854 1.00 51.30 ATOM 78 HE2 HIS 5 -7.816 -1.911 -8.820 1.00 37.53 ATOM 79 C HIS 5 -7.202 -4.271 -3.299 1.00 12.20 ATOM 80 O HIS 5 -8.109 -4.743 -3.986 1.00 54.20 ATOM 81 N HIS 6 -7.191 -4.327 -1.962 1.00 52.33 ATOM 82 HN HIS 6 -6.429 -3.932 -1.482 1.00 37.53 ATOM 83 CA HIS 6 -8.257 -4.970 -1.174 1.00 2.43 ATOM 84 HA HIS 6 -8.050 -4.747 -0.137 1.00 34.45 ATOM 85 CB HIS 6 -9.644 -4.396 -1.518 1.00 23.33 ATOM 86 HB1 HIS 6 -10.406 -5.057 -1.130 1.00 37.53 ATOM 87 HB2 HIS 6 -9.745 -4.335 -2.592 1.00 74.23 ATOM 88 CG HIS 6 -9.894 -3.028 -0.955 1.00 13.53 ATOM 89 ND1 HIS 6 -10.460 -2.004 -1.683 1.00 31.21 ATOM 90 HD1 HIS 6 -10.736 -2.055 -2.622 1.00 43.25 ATOM 91 CD2 HIS 6 -9.682 -2.526 0.286 1.00 72.12 ATOM 92 HD2 HIS 6 -9.247 -3.051 1.125 1.00 61.33 ATOM 93 CE1 HIS 6 -10.584 -0.938 -0.920 1.00 54.15 ATOM 94 HE1 HIS 6 -10.996 0.012 -1.224 1.00 42.35 ATOM 95 NE2 HIS 6 -10.121 -1.227 0.277 1.00 51.02 ATOM 96 HE2 HIS 6 -9.954 -0.568 0.986 1.00 37.53 ATOM 97 C HIS 6 -8.266 -6.502 -1.325 1.00 45.13 ATOM 98 O HIS 6 -9.301 -7.143 -1.132 1.00 11.31 ATOM 99 N HIS 7 -7.117 -7.097 -1.639 1.00 61.32 ATOM 100 HN HIS 7 -6.328 -6.551 -1.849 1.00 37.53 ATOM 101 CA HIS 7 -7.016 -8.559 -1.672 1.00 61.52 ATOM 102 HA HIS 7 -7.939 -8.939 -2.094 1.00 22.32 ATOM 103 CB HIS 7 -5.846 -9.025 -2.556 1.00 32.14 ATOM 104 HB1 HIS 7 -4.922 -8.626 -2.161 1.00 37.53 ATOM 105 HB2 HIS 7 -5.991 -8.655 -3.561 1.00 54.25 ATOM 106 CG HIS 7 -5.718 -10.522 -2.627 1.00 33.41 ATOM 107 ND1 HIS 7 -6.539 -11.309 -3.404 1.00 65.23 ATOM 108 HD1 HIS 7 -7.253 -10.985 -3.996 1.00 64.23 ATOM 109 CD2 HIS 7 -4.881 -11.379 -1.990 1.00 73.25 ATOM 110 HD2 HIS 7 -4.097 -11.114 -1.295 1.00 40.04 ATOM 111 CE1 HIS 7 -6.218 -12.575 -3.242 1.00 51.02 ATOM 112 HE1 HIS 7 -6.695 -13.413 -3.728 1.00 71.42 ATOM 113 NE2 HIS 7 -5.217 -12.648 -2.392 1.00 12.34 ATOM 114 HE2 HIS 7 -4.928 -13.474 -1.946 1.00 37.53 ATOM 115 C HIS 7 -6.870 -9.126 -0.249 1.00 24.30 ATOM 116 O HIS 7 -5.766 -9.426 0.209 1.00 63.02 ATOM 117 N HIS 8 -7.994 -9.233 0.458 1.00 31.44 ATOM 118 HN HIS 8 -8.826 -8.887 0.073 1.00 37.53 ATOM 119 CA HIS 8 -8.020 -9.842 1.796 1.00 71.12 ATOM 120 HA HIS 8 -6.996 -9.935 2.133 1.00 73.44 ATOM 121 CB HIS 8 -8.782 -8.948 2.790 1.00 52.31 ATOM 122 HB1 HIS 8 -8.204 -8.051 2.971 1.00 37.53 ATOM 123 HB2 HIS 8 -8.902 -9.480 3.723 1.00 54.44 ATOM 124 CG HIS 8 -10.144 -8.530 2.324 1.00 54.31 ATOM 125 ND1 HIS 8 -11.279 -9.279 2.542 1.00 31.31 ATOM 126 HD1 HIS 8 -11.318 -10.140 3.013 1.00 73.03 ATOM 127 CD2 HIS 8 -10.552 -7.427 1.653 1.00 43.25 ATOM 128 HD2 HIS 8 -9.925 -6.614 1.315 1.00 72.21 ATOM 129 CE1 HIS 8 -12.322 -8.660 2.028 1.00 64.33 ATOM 130 HE1 HIS 8 -13.342 -9.015 2.051 1.00 75.23 ATOM 131 NE2 HIS 8 -11.911 -7.534 1.484 1.00 52.23 ATOM 132 HE2 HIS 8 -12.501 -6.799 1.205 1.00 37.53 ATOM 133 C HIS 8 -8.637 -11.247 1.749 1.00 0.32 ATOM 134 O HIS 8 -8.507 -12.027 2.692 1.00 72.13 ATOM 135 N SER 9 -9.315 -11.557 0.644 1.00 44.12 ATOM 136 HN SER 9 -9.456 -10.863 -0.034 1.00 37.53 ATOM 137 CA SER 9 -9.857 -12.903 0.411 1.00 14.23 ATOM 138 HA SER 9 -10.316 -13.245 1.329 1.00 64.23 ATOM 139 CB SER 9 -10.918 -12.871 -0.701 1.00 45.44 ATOM 140 HB1 SER 9 -10.469 -12.505 -1.613 1.00 37.53 ATOM 141 HB2 SER 9 -11.722 -12.210 -0.410 1.00 53.30 ATOM 142 OG SER 9 -11.458 -14.163 -0.944 1.00 72.34 ATOM 143 HG SER 9 -12.410 -14.146 -0.784 1.00 22.51 ATOM 144 C SER 9 -8.733 -13.872 0.022 1.00 32.10 ATOM 145 O SER 9 -8.162 -13.757 -1.064 1.00 23.01 ATOM 146 N HIS 10 -8.421 -14.812 0.918 1.00 2.22 ATOM 147 HN HIS 10 -8.958 -14.877 1.737 1.00 37.53 ATOM 148 CA HIS 10 -7.317 -15.762 0.726 1.00 54.23 ATOM 149 HA HIS 10 -7.305 -16.411 1.590 1.00 63.13 ATOM 150 CB HIS 10 -7.541 -16.627 -0.523 1.00 65.21 ATOM 151 HB1 HIS 10 -7.647 -15.984 -1.386 1.00 37.53 ATOM 152 HB2 HIS 10 -8.446 -17.201 -0.396 1.00 14.01 ATOM 153 CG HIS 10 -6.418 -17.586 -0.794 1.00 60.10 ATOM 154 ND1 HIS 10 -5.271 -17.232 -1.476 1.00 5.34 ATOM 155 HD1 HIS 10 -5.070 -16.341 -1.840 1.00 32.42 ATOM 156 CD2 HIS 10 -6.261 -18.889 -0.458 1.00 2.42 ATOM 157 HD2 HIS 10 -6.966 -19.502 0.085 1.00 43.32 ATOM 158 CE1 HIS 10 -4.464 -18.270 -1.547 1.00 43.41 ATOM 159 HE1 HIS 10 -3.494 -18.285 -2.024 1.00 63.54 ATOM 160 NE2 HIS 10 -5.039 -19.284 -0.938 1.00 0.14 ATOM 161 HE2 HIS 10 -4.693 -20.205 -0.927 1.00 37.53 ATOM 162 C HIS 10 -5.951 -15.056 0.636 1.00 24.25 ATOM 163 O HIS 10 -5.536 -14.612 -0.439 1.00 12.55 ATOM 164 N PRO 11 -5.238 -14.929 1.768 1.00 74.22 ATOM 165 CA PRO 11 -3.864 -14.418 1.780 1.00 74.42 ATOM 166 HA PRO 11 -3.724 -13.621 1.062 1.00 34.50 ATOM 167 CB PRO 11 -3.740 -13.867 3.202 1.00 33.53 ATOM 168 HB1 PRO 11 -4.107 -12.850 3.232 1.00 37.53 ATOM 169 HB2 PRO 11 -2.704 -13.890 3.516 1.00 62.54 ATOM 170 CG PRO 11 -4.589 -14.780 4.029 1.00 14.24 ATOM 171 HG1 PRO 11 -4.988 -14.244 4.878 1.00 37.53 ATOM 172 HG2 PRO 11 -4.000 -15.623 4.365 1.00 31.41 ATOM 173 CD PRO 11 -5.714 -15.253 3.131 1.00 32.02 ATOM 174 HD1 PRO 11 -6.626 -14.720 3.356 1.00 37.53 ATOM 175 HD2 PRO 11 -5.863 -16.319 3.245 1.00 31.12 ATOM 176 C PRO 11 -2.831 -15.533 1.527 1.00 5.53 ATOM 177 O PRO 11 -3.197 -16.674 1.231 1.00 3.44 ATOM 178 N ASN 12 -1.542 -15.208 1.633 1.00 43.10 ATOM 179 HN ASN 12 -1.293 -14.274 1.790 1.00 37.53 ATOM 180 CA ASN 12 -0.489 -16.222 1.511 1.00 0.34 ATOM 181 HA ASN 12 -0.791 -16.923 0.744 1.00 54.50 ATOM 182 CB ASN 12 0.842 -15.574 1.100 1.00 22.34 ATOM 183 HB1 ASN 12 1.176 -14.915 1.890 1.00 37.53 ATOM 184 HB2 ASN 12 0.690 -14.996 0.198 1.00 14.32 ATOM 185 CG ASN 12 1.929 -16.603 0.832 1.00 53.53 ATOM 186 OD1 ASN 12 1.655 -17.714 0.383 1.00 60.11 ATOM 187 ND2 ASN 12 3.168 -16.256 1.114 1.00 64.35 ATOM 188 HD21 ASN 12 3.332 -15.361 1.475 1.00 1.23 ATOM 189 HD22 ASN 12 3.877 -16.914 0.951 1.00 15.31 ATOM 190 C ASN 12 -0.320 -16.986 2.835 1.00 63.10 ATOM 191 O ASN 12 -0.743 -16.514 3.892 1.00 55.22 ATOM 192 N GLU 13 0.306 -18.158 2.775 1.00 73.43 ATOM 193 HN GLU 13 0.631 -18.480 1.906 1.00 37.53 ATOM 194 CA GLU 13 0.505 -18.993 3.966 1.00 0.14 ATOM 195 HA GLU 13 -0.475 -19.283 4.319 1.00 0.12 ATOM 196 CB GLU 13 1.286 -20.260 3.613 1.00 22.54 ATOM 197 HB1 GLU 13 2.236 -19.977 3.180 1.00 37.53 ATOM 198 HB2 GLU 13 0.723 -20.826 2.884 1.00 13.23 ATOM 199 CG GLU 13 1.556 -21.158 4.815 1.00 30.21 ATOM 200 HG1 GLU 13 0.629 -21.316 5.351 1.00 37.53 ATOM 201 HG2 GLU 13 2.264 -20.664 5.466 1.00 34.52 ATOM 202 CD GLU 13 2.122 -22.504 4.412 1.00 50.11 ATOM 203 OE1 GLU 13 3.347 -22.596 4.186 1.00 13.23 ATOM 204 OE2 GLU 13 1.339 -23.464 4.298 1.00 21.14 ATOM 205 C GLU 13 1.222 -18.237 5.096 1.00 13.54 ATOM 206 O GLU 13 0.791 -18.278 6.247 1.00 25.12 ATOM 207 N GLU 14 2.315 -17.553 4.771 1.00 44.13 ATOM 208 HN GLU 14 2.644 -17.587 3.850 1.00 37.53 ATOM 209 CA GLU 14 3.044 -16.759 5.771 1.00 21.43 ATOM 210 HA GLU 14 3.364 -17.431 6.556 1.00 32.31 ATOM 211 CB GLU 14 4.284 -16.106 5.125 1.00 63.15 ATOM 212 HB1 GLU 14 3.976 -15.197 4.626 1.00 37.53 ATOM 213 HB2 GLU 14 4.684 -16.785 4.386 1.00 12.02 ATOM 214 CG GLU 14 5.416 -15.754 6.103 1.00 42.54 ATOM 215 HG1 GLU 14 6.286 -15.466 5.526 1.00 37.53 ATOM 216 HG2 GLU 14 5.657 -16.635 6.680 1.00 31.01 ATOM 217 CD GLU 14 5.081 -14.621 7.066 1.00 24.04 ATOM 218 OE1 GLU 14 4.896 -13.474 6.593 1.00 62.42 ATOM 219 OE2 GLU 14 5.033 -14.865 8.292 1.00 3.12 ATOM 220 C GLU 14 2.115 -15.691 6.378 1.00 74.24 ATOM 221 O GLU 14 2.156 -15.419 7.576 1.00 45.10 ATOM 222 N ALA 15 1.246 -15.124 5.541 1.00 24.21 ATOM 223 HN ALA 15 1.232 -15.413 4.608 1.00 37.53 ATOM 224 CA ALA 15 0.305 -14.086 5.975 1.00 41.22 ATOM 225 HA ALA 15 0.877 -13.316 6.475 1.00 75.23 ATOM 226 CB ALA 15 -0.369 -13.452 4.762 1.00 34.11 ATOM 227 HB1 ALA 15 -1.002 -12.637 5.084 1.00 11.43 ATOM 228 HB2 ALA 15 -0.968 -14.193 4.252 1.00 43.11 ATOM 229 HB3 ALA 15 0.386 -13.075 4.087 1.00 24.44 ATOM 230 C ALA 15 -0.746 -14.633 6.956 1.00 55.04 ATOM 231 O ALA 15 -0.969 -14.054 8.019 1.00 61.02 ATOM 232 N ARG 16 -1.393 -15.751 6.602 1.00 72.31 ATOM 233 HN ARG 16 -1.218 -16.149 5.722 1.00 37.53 ATOM 234 CA ARG 16 -2.366 -16.387 7.505 1.00 50.05 ATOM 235 HA ARG 16 -3.112 -15.644 7.757 1.00 30.44 ATOM 236 CB ARG 16 -3.065 -17.586 6.825 1.00 42.43 ATOM 237 HB1 ARG 16 -3.531 -17.242 5.912 1.00 37.53 ATOM 238 HB2 ARG 16 -3.833 -17.961 7.487 1.00 22.21 ATOM 239 CG ARG 16 -2.127 -18.743 6.478 1.00 3.55 ATOM 240 HG1 ARG 16 -1.614 -19.054 7.377 1.00 37.53 ATOM 241 HG2 ARG 16 -1.404 -18.396 5.756 1.00 44.14 ATOM 242 CD ARG 16 -2.867 -19.947 5.891 1.00 11.03 ATOM 243 HD1 ARG 16 -3.414 -19.626 5.015 1.00 37.53 ATOM 244 HD2 ARG 16 -3.561 -20.323 6.629 1.00 64.25 ATOM 245 NE ARG 16 -1.945 -21.024 5.509 1.00 13.02 ATOM 246 HE ARG 16 -0.992 -20.863 5.628 1.00 3.03 ATOM 247 CZ ARG 16 -2.319 -22.174 5.002 1.00 5.23 ATOM 248 NH1 ARG 16 -3.573 -22.457 4.852 1.00 51.22 ATOM 249 HH11 ARG 16 -4.271 -21.798 5.122 1.00 42.43 ATOM 250 HH12 ARG 16 -3.841 -23.341 4.475 1.00 45.43 ATOM 251 NH2 ARG 16 -1.431 -23.054 4.652 1.00 63.32 ATOM 252 HH21 ARG 16 -0.457 -22.862 4.765 1.00 24.41 ATOM 253 HH22 ARG 16 -1.725 -23.927 4.265 1.00 22.21 ATOM 254 C ARG 16 -1.676 -16.845 8.803 1.00 14.42 ATOM 255 O ARG 16 -2.229 -16.721 9.894 1.00 52.00 ATOM 256 N LEU 17 -0.450 -17.347 8.663 1.00 63.13 ATOM 257 HN LEU 17 -0.055 -17.382 7.766 1.00 37.53 ATOM 258 CA LEU 17 0.333 -17.849 9.797 1.00 21.44 ATOM 259 HA LEU 17 -0.293 -18.536 10.349 1.00 72.14 ATOM 260 CB LEU 17 1.559 -18.614 9.271 1.00 24.33 ATOM 261 HB1 LEU 17 2.044 -17.997 8.529 1.00 37.53 ATOM 262 HB2 LEU 17 1.209 -19.515 8.786 1.00 33.11 ATOM 263 CG LEU 17 2.610 -19.012 10.320 1.00 24.14 ATOM 264 HG LEU 17 3.036 -18.117 10.740 1.00 25.41 ATOM 265 CD1 LEU 17 1.980 -19.800 11.463 1.00 1.52 ATOM 266 HD11 LEU 17 1.527 -20.701 11.078 1.00 33.02 ATOM 267 HD12 LEU 17 1.226 -19.192 11.944 1.00 24.10 ATOM 268 HD13 LEU 17 2.742 -20.058 12.185 1.00 0.34 ATOM 269 CD2 LEU 17 3.744 -19.807 9.671 1.00 1.45 ATOM 270 HD21 LEU 17 4.209 -19.209 8.900 1.00 1.15 ATOM 271 HD22 LEU 17 3.349 -20.713 9.234 1.00 40.51 ATOM 272 HD23 LEU 17 4.481 -20.061 10.419 1.00 33.42 ATOM 273 C LEU 17 0.769 -16.719 10.747 1.00 3.11 ATOM 274 O LEU 17 0.721 -16.872 11.973 1.00 62.45 ATOM 275 N ASP 18 1.186 -15.588 10.186 1.00 4.55 ATOM 276 HN ASP 18 1.176 -15.507 9.208 1.00 37.53 ATOM 277 CA ASP 18 1.664 -14.462 10.990 1.00 13.12 ATOM 278 HA ASP 18 2.519 -14.807 11.551 1.00 45.02 ATOM 279 CB ASP 18 2.106 -13.310 10.081 1.00 60.11 ATOM 280 HB1 ASP 18 1.236 -12.887 9.598 1.00 37.53 ATOM 281 HB2 ASP 18 2.777 -13.693 9.324 1.00 60.45 ATOM 282 CG ASP 18 2.822 -12.207 10.843 1.00 22.14 ATOM 283 OD1 ASP 18 3.968 -12.431 11.288 1.00 12.03 ATOM 284 OD2 ASP 18 2.256 -11.103 10.983 1.00 72.34 ATOM 285 C ASP 18 0.590 -13.990 11.984 1.00 22.33 ATOM 286 O ASP 18 0.900 -13.572 13.102 1.00 51.52 ATOM 287 N ILE 19 -0.674 -14.092 11.581 1.00 4.25 ATOM 288 HN ILE 19 -0.859 -14.419 10.673 1.00 37.53 ATOM 289 CA ILE 19 -1.794 -13.720 12.449 1.00 34.41 ATOM 290 HA ILE 19 -1.655 -12.686 12.737 1.00 70.53 ATOM 291 CB ILE 19 -3.145 -13.833 11.698 1.00 64.14 ATOM 292 HB ILE 19 -3.328 -14.877 11.485 1.00 60.21 ATOM 293 CG1 ILE 19 -3.082 -13.055 10.371 1.00 22.32 ATOM 294 HG11 ILE 19 -2.241 -13.411 9.792 1.00 37.53 ATOM 295 HG12 ILE 19 -2.944 -12.005 10.583 1.00 12.12 ATOM 296 CG2 ILE 19 -4.293 -13.317 12.570 1.00 13.12 ATOM 297 HG21 ILE 19 -4.329 -13.882 13.492 1.00 1.13 ATOM 298 HG22 ILE 19 -5.229 -13.433 12.043 1.00 51.00 ATOM 299 HG23 ILE 19 -4.135 -12.272 12.795 1.00 1.41 ATOM 300 CD1 ILE 19 -4.325 -13.191 9.515 1.00 34.21 ATOM 301 HD11 ILE 19 -4.197 -12.626 8.604 1.00 24.50 ATOM 302 HD12 ILE 19 -5.180 -12.811 10.056 1.00 2.12 ATOM 303 HD13 ILE 19 -4.484 -14.231 9.274 1.00 31.41 ATOM 304 C ILE 19 -1.828 -14.586 13.726 1.00 4.52 ATOM 305 O ILE 19 -2.102 -14.082 14.823 1.00 62.43 ATOM 306 N LEU 20 -1.537 -15.888 13.588 1.00 74.43 ATOM 307 HN LEU 20 -1.377 -16.251 12.690 1.00 37.53 ATOM 308 CA LEU 20 -1.443 -16.777 14.757 1.00 72.15 ATOM 309 HA LEU 20 -2.377 -16.699 15.299 1.00 72.25 ATOM 310 CB LEU 20 -1.223 -18.252 14.360 1.00 2.11 ATOM 311 HB1 LEU 20 -1.005 -18.810 15.262 1.00 37.53 ATOM 312 HB2 LEU 20 -0.355 -18.303 13.716 1.00 21.05 ATOM 313 CG LEU 20 -2.399 -18.943 13.644 1.00 54.43 ATOM 314 HG LEU 20 -3.326 -18.537 14.028 1.00 71.01 ATOM 315 CD1 LEU 20 -2.368 -18.671 12.143 1.00 14.40 ATOM 316 HD11 LEU 20 -1.453 -19.063 11.722 1.00 21.34 ATOM 317 HD12 LEU 20 -2.415 -17.605 11.968 1.00 42.52 ATOM 318 HD13 LEU 20 -3.214 -19.149 11.670 1.00 31.40 ATOM 319 CD2 LEU 20 -2.400 -20.446 13.926 1.00 64.13 ATOM 320 HD21 LEU 20 -1.470 -20.881 13.589 1.00 52.24 ATOM 321 HD22 LEU 20 -3.225 -20.911 13.406 1.00 23.51 ATOM 322 HD23 LEU 20 -2.509 -20.613 14.989 1.00 54.14 ATOM 323 C LEU 20 -0.305 -16.329 15.682 1.00 11.32 ATOM 324 O LEU 20 -0.455 -16.320 16.905 1.00 23.42 ATOM 325 N LYS 21 0.832 -15.954 15.087 1.00 35.05 ATOM 326 HN LYS 21 0.900 -16.018 14.107 1.00 37.53 ATOM 327 CA LYS 21 1.981 -15.448 15.851 1.00 30.45 ATOM 328 HA LYS 21 2.350 -16.249 16.475 1.00 4.05 ATOM 329 CB LYS 21 3.102 -14.988 14.903 1.00 25.21 ATOM 330 HB1 LYS 21 3.953 -14.683 15.497 1.00 37.53 ATOM 331 HB2 LYS 21 2.749 -14.134 14.341 1.00 13.53 ATOM 332 CG LYS 21 3.572 -16.047 13.909 1.00 11.50 ATOM 333 HG1 LYS 21 2.711 -16.452 13.395 1.00 37.53 ATOM 334 HG2 LYS 21 4.078 -16.836 14.446 1.00 52.44 ATOM 335 CD LYS 21 4.529 -15.445 12.880 1.00 73.21 ATOM 336 HD1 LYS 21 5.428 -15.121 13.386 1.00 37.53 ATOM 337 HD2 LYS 21 4.051 -14.595 12.421 1.00 20.52 ATOM 338 CE LYS 21 4.908 -16.431 11.782 1.00 44.11 ATOM 339 HE1 LYS 21 4.007 -16.844 11.362 1.00 37.53 ATOM 340 HE2 LYS 21 5.504 -17.224 12.209 1.00 42.31 ATOM 341 NZ LYS 21 5.684 -15.772 10.697 1.00 3.31 ATOM 342 HZ1 LYS 21 5.080 -15.098 10.176 1.00 53.33 ATOM 343 HZ2 LYS 21 6.040 -16.480 10.027 1.00 33.10 ATOM 344 HZ3 LYS 21 6.491 -15.255 11.099 1.00 4.30 ATOM 345 C LYS 21 1.564 -14.267 16.741 1.00 70.25 ATOM 346 O LYS 21 1.778 -14.276 17.951 1.00 74.22 ATOM 347 N ILE 22 0.954 -13.257 16.118 1.00 13.32 ATOM 348 HN ILE 22 0.775 -13.338 15.154 1.00 37.53 ATOM 349 CA ILE 22 0.545 -12.029 16.815 1.00 33.14 ATOM 350 HA ILE 22 1.442 -11.503 17.108 1.00 22.11 ATOM 351 CB ILE 22 -0.271 -11.102 15.875 1.00 24.42 ATOM 352 HB ILE 22 -1.172 -11.626 15.585 1.00 64.30 ATOM 353 CG1 ILE 22 0.538 -10.766 14.614 1.00 11.31 ATOM 354 HG11 ILE 22 0.845 -11.686 14.134 1.00 37.53 ATOM 355 HG12 ILE 22 1.416 -10.204 14.895 1.00 4.42 ATOM 356 CG2 ILE 22 -0.683 -9.821 16.603 1.00 11.01 ATOM 357 HG21 ILE 22 0.201 -9.288 16.924 1.00 23.25 ATOM 358 HG22 ILE 22 -1.284 -10.071 17.466 1.00 32.40 ATOM 359 HG23 ILE 22 -1.259 -9.193 15.937 1.00 31.45 ATOM 360 CD1 ILE 22 -0.227 -9.945 13.597 1.00 3.22 ATOM 361 HD11 ILE 22 -0.511 -9.000 14.035 1.00 73.02 ATOM 362 HD12 ILE 22 -1.114 -10.483 13.293 1.00 14.52 ATOM 363 HD13 ILE 22 0.399 -9.768 12.735 1.00 32.41 ATOM 364 C ILE 22 -0.295 -12.320 18.072 1.00 35.34 ATOM 365 O ILE 22 0.038 -11.873 19.171 1.00 33.04 ATOM 366 N HIS 23 -1.379 -13.079 17.901 1.00 51.54 ATOM 367 HN HIS 23 -1.541 -13.488 17.021 1.00 37.53 ATOM 368 CA HIS 23 -2.329 -13.328 18.997 1.00 40.34 ATOM 369 HA HIS 23 -2.484 -12.385 19.504 1.00 51.13 ATOM 370 CB HIS 23 -3.674 -13.796 18.433 1.00 42.03 ATOM 371 HB1 HIS 23 -4.319 -14.093 19.248 1.00 37.53 ATOM 372 HB2 HIS 23 -3.511 -14.643 17.781 1.00 63.20 ATOM 373 CG HIS 23 -4.382 -12.735 17.644 1.00 12.54 ATOM 374 ND1 HIS 23 -5.251 -11.828 18.209 1.00 24.42 ATOM 375 HD1 HIS 23 -5.494 -11.781 19.162 1.00 73.44 ATOM 376 CD2 HIS 23 -4.334 -12.428 16.326 1.00 44.54 ATOM 377 HD2 HIS 23 -3.748 -12.932 15.572 1.00 45.31 ATOM 378 CE1 HIS 23 -5.705 -11.015 17.279 1.00 61.31 ATOM 379 HE1 HIS 23 -6.402 -10.206 17.436 1.00 51.23 ATOM 380 NE2 HIS 23 -5.164 -11.353 16.125 1.00 23.44 ATOM 381 HE2 HIS 23 -5.139 -10.769 15.335 1.00 37.53 ATOM 382 C HIS 23 -1.794 -14.337 20.030 1.00 55.21 ATOM 383 O HIS 23 -2.034 -14.186 21.230 1.00 62.10 ATOM 384 N SER 24 -1.069 -15.357 19.575 1.00 31.22 ATOM 385 HN SER 24 -0.919 -15.448 18.609 1.00 37.53 ATOM 386 CA SER 24 -0.480 -16.345 20.493 1.00 64.10 ATOM 387 HA SER 24 -1.286 -16.783 21.067 1.00 11.52 ATOM 388 CB SER 24 0.233 -17.458 19.711 1.00 42.33 ATOM 389 HB1 SER 24 -0.474 -17.943 19.053 1.00 37.53 ATOM 390 HB2 SER 24 0.634 -18.185 20.402 1.00 1.22 ATOM 391 OG SER 24 1.298 -16.939 18.930 1.00 41.11 ATOM 392 HG SER 24 1.055 -16.976 18.000 1.00 61.31 ATOM 393 C SER 24 0.505 -15.671 21.459 1.00 62.54 ATOM 394 O SER 24 0.515 -15.956 22.657 1.00 22.45 ATOM 395 N ARG 25 1.313 -14.754 20.925 1.00 13.12 ATOM 396 HN ARG 25 1.275 -14.604 19.955 1.00 37.53 ATOM 397 CA ARG 25 2.274 -13.975 21.726 1.00 35.22 ATOM 398 HA ARG 25 2.954 -14.674 22.189 1.00 42.41 ATOM 399 CB ARG 25 3.080 -13.043 20.800 1.00 63.42 ATOM 400 HB1 ARG 25 3.635 -12.339 21.408 1.00 37.53 ATOM 401 HB2 ARG 25 2.391 -12.493 20.173 1.00 24.45 ATOM 402 CG ARG 25 4.071 -13.776 19.895 1.00 75.52 ATOM 403 HG1 ARG 25 3.626 -14.708 19.573 1.00 37.53 ATOM 404 HG2 ARG 25 4.970 -13.984 20.456 1.00 34.03 ATOM 405 CD ARG 25 4.441 -12.952 18.661 1.00 52.25 ATOM 406 HD1 ARG 25 3.557 -12.834 18.049 1.00 37.53 ATOM 407 HD2 ARG 25 5.190 -13.489 18.099 1.00 74.12 ATOM 408 NE ARG 25 4.964 -11.628 18.995 1.00 12.32 ATOM 409 HE ARG 25 5.315 -11.492 19.898 1.00 21.41 ATOM 410 CZ ARG 25 4.990 -10.618 18.160 1.00 4.11 ATOM 411 NH1 ARG 25 4.559 -10.750 16.945 1.00 70.03 ATOM 412 HH11 ARG 25 4.204 -11.623 16.634 1.00 65.51 ATOM 413 HH12 ARG 25 4.579 -9.969 16.326 1.00 74.12 ATOM 414 NH2 ARG 25 5.455 -9.475 18.540 1.00 61.23 ATOM 415 HH21 ARG 25 5.794 -9.357 19.470 1.00 32.53 ATOM 416 HH22 ARG 25 5.473 -8.709 17.899 1.00 44.20 ATOM 417 C ARG 25 1.587 -13.151 22.838 1.00 53.32 ATOM 418 O ARG 25 2.243 -12.692 23.774 1.00 10.31 ATOM 419 N LYS 26 0.272 -12.959 22.735 1.00 52.43 ATOM 420 HN LYS 26 -0.204 -13.328 21.962 1.00 37.53 ATOM 421 CA LYS 26 -0.483 -12.205 23.748 1.00 74.01 ATOM 422 HA LYS 26 0.183 -11.461 24.165 1.00 5.44 ATOM 423 CB LYS 26 -1.678 -11.486 23.103 1.00 23.24 ATOM 424 HB1 LYS 26 -2.256 -11.002 23.879 1.00 37.53 ATOM 425 HB2 LYS 26 -2.301 -12.220 22.613 1.00 72.11 ATOM 426 CG LYS 26 -1.285 -10.430 22.074 1.00 42.52 ATOM 427 HG1 LYS 26 -2.171 -9.884 21.775 1.00 37.53 ATOM 428 HG2 LYS 26 -0.858 -10.922 21.211 1.00 22.14 ATOM 429 CD LYS 26 -0.263 -9.449 22.643 1.00 65.23 ATOM 430 HD1 LYS 26 0.662 -9.978 22.827 1.00 37.53 ATOM 431 HD2 LYS 26 -0.641 -9.054 23.575 1.00 0.03 ATOM 432 CE LYS 26 0.013 -8.287 21.696 1.00 42.51 ATOM 433 HE1 LYS 26 0.264 -8.682 20.722 1.00 37.53 ATOM 434 HE2 LYS 26 0.849 -7.717 22.078 1.00 54.25 ATOM 435 NZ LYS 26 -1.162 -7.385 21.565 1.00 3.35 ATOM 436 HZ1 LYS 26 -0.935 -6.593 20.930 1.00 23.13 ATOM 437 HZ2 LYS 26 -1.426 -7.002 22.494 1.00 22.32 ATOM 438 HZ3 LYS 26 -1.972 -7.906 21.172 1.00 42.51 ATOM 439 C LYS 26 -0.974 -13.110 24.892 1.00 52.12 ATOM 440 O LYS 26 -1.389 -12.623 25.946 1.00 63.34 ATOM 441 N MET 27 -0.935 -14.423 24.677 1.00 15.55 ATOM 442 HN MET 27 -0.606 -14.751 23.812 1.00 37.53 ATOM 443 CA MET 27 -1.356 -15.393 25.697 1.00 31.44 ATOM 444 HA MET 27 -1.853 -14.852 26.490 1.00 34.24 ATOM 445 CB MET 27 -2.339 -16.408 25.090 1.00 64.43 ATOM 446 HB1 MET 27 -2.656 -17.093 25.864 1.00 37.53 ATOM 447 HB2 MET 27 -1.829 -16.967 24.317 1.00 32.01 ATOM 448 CG MET 27 -3.583 -15.775 24.476 1.00 3.45 ATOM 449 HG1 MET 27 -3.285 -15.178 23.625 1.00 37.53 ATOM 450 HG2 MET 27 -4.047 -15.138 25.214 1.00 74.22 ATOM 451 SD MET 27 -4.795 -16.999 23.929 1.00 12.32 ATOM 452 CE MET 27 -3.819 -17.989 22.800 1.00 72.33 ATOM 453 HE1 MET 27 -3.438 -17.361 22.007 1.00 34.45 ATOM 454 HE2 MET 27 -4.439 -18.765 22.378 1.00 3.10 ATOM 455 HE3 MET 27 -2.994 -18.438 23.334 1.00 51.44 ATOM 456 C MET 27 -0.145 -16.132 26.289 1.00 64.30 ATOM 457 O MET 27 1.004 -15.748 26.068 1.00 72.23 ATOM 458 N ASN 28 -0.406 -17.176 27.070 1.00 54.13 ATOM 459 HN ASN 28 -1.336 -17.374 27.307 1.00 37.53 ATOM 460 CA ASN 28 0.659 -18.037 27.589 1.00 10.12 ATOM 461 HA ASN 28 1.569 -17.455 27.648 1.00 10.54 ATOM 462 CB ASN 28 0.288 -18.542 28.988 1.00 13.44 ATOM 463 HB1 ASN 28 -0.470 -19.309 28.900 1.00 37.53 ATOM 464 HB2 ASN 28 -0.110 -17.720 29.564 1.00 13.34 ATOM 465 CG ASN 28 1.471 -19.121 29.742 1.00 51.32 ATOM 466 OD1 ASN 28 2.454 -19.555 29.153 1.00 2.43 ATOM 467 ND2 ASN 28 1.379 -19.141 31.052 1.00 23.21 ATOM 468 HD21 ASN 28 0.568 -18.786 31.465 1.00 63.22 ATOM 469 HD22 ASN 28 2.125 -19.523 31.559 1.00 10.15 ATOM 470 C ASN 28 0.879 -19.221 26.631 1.00 40.44 ATOM 471 O ASN 28 -0.071 -19.912 26.269 1.00 14.44 ATOM 472 N LEU 29 2.124 -19.452 26.217 1.00 63.01 ATOM 473 HN LEU 29 2.858 -18.920 26.588 1.00 37.53 ATOM 474 CA LEU 29 2.425 -20.494 25.224 1.00 33.44 ATOM 475 HA LEU 29 1.491 -20.949 24.929 1.00 63.13 ATOM 476 CB LEU 29 3.080 -19.871 23.982 1.00 52.45 ATOM 477 HB1 LEU 29 3.342 -20.669 23.300 1.00 37.53 ATOM 478 HB2 LEU 29 3.991 -19.377 24.293 1.00 44.11 ATOM 479 CG LEU 29 2.218 -18.853 23.219 1.00 22.00 ATOM 480 HG LEU 29 1.980 -18.029 23.877 1.00 53.23 ATOM 481 CD1 LEU 29 2.987 -18.287 22.027 1.00 74.51 ATOM 482 HD11 LEU 29 3.887 -17.802 22.377 1.00 5.23 ATOM 483 HD12 LEU 29 2.371 -17.567 21.510 1.00 63.15 ATOM 484 HD13 LEU 29 3.250 -19.088 21.351 1.00 51.53 ATOM 485 CD2 LEU 29 0.902 -19.488 22.765 1.00 3.14 ATOM 486 HD21 LEU 29 0.363 -19.857 23.626 1.00 73.43 ATOM 487 HD22 LEU 29 1.106 -20.308 22.090 1.00 54.13 ATOM 488 HD23 LEU 29 0.301 -18.747 22.257 1.00 64.12 ATOM 489 C LEU 29 3.343 -21.588 25.783 1.00 35.42 ATOM 490 O LEU 29 4.049 -21.389 26.773 1.00 2.33 ATOM 491 N THR 30 3.320 -22.751 25.137 1.00 42.35 ATOM 492 HN THR 30 2.662 -22.881 24.419 1.00 37.53 ATOM 493 CA THR 30 4.237 -23.843 25.475 1.00 62.33 ATOM 494 HA THR 30 4.362 -23.854 26.551 1.00 3.42 ATOM 495 CB THR 30 3.682 -25.221 25.039 1.00 12.31 ATOM 496 HB THR 30 2.693 -25.342 25.458 1.00 45.40 ATOM 497 OG1 THR 30 4.530 -26.268 25.536 1.00 41.31 ATOM 498 HG1 THR 30 3.988 -27.010 25.835 1.00 14.24 ATOM 499 CG2 THR 30 3.582 -25.327 23.520 1.00 3.13 ATOM 500 HG21 THR 30 4.565 -25.216 23.083 1.00 73.01 ATOM 501 HG22 THR 30 2.931 -24.552 23.144 1.00 34.32 ATOM 502 HG23 THR 30 3.179 -26.294 23.253 1.00 73.32 ATOM 503 C THR 30 5.609 -23.633 24.818 1.00 34.12 ATOM 504 O THR 30 5.748 -22.838 23.888 1.00 52.12 ATOM 505 N ARG 31 6.616 -24.359 25.292 1.00 21.34 ATOM 506 HN ARG 31 6.438 -25.010 26.003 1.00 37.53 ATOM 507 CA ARG 31 7.979 -24.231 24.764 1.00 64.41 ATOM 508 HA ARG 31 8.046 -23.279 24.253 1.00 3.05 ATOM 509 CB ARG 31 9.007 -24.243 25.912 1.00 12.01 ATOM 510 HB1 ARG 31 10.002 -24.228 25.489 1.00 37.53 ATOM 511 HB2 ARG 31 8.884 -25.155 26.481 1.00 61.00 ATOM 512 CG ARG 31 8.877 -23.053 26.871 1.00 74.31 ATOM 513 HG1 ARG 31 8.786 -22.147 26.288 1.00 37.53 ATOM 514 HG2 ARG 31 9.768 -22.998 27.479 1.00 32.24 ATOM 515 CD ARG 31 7.662 -23.174 27.792 1.00 62.31 ATOM 516 HD1 ARG 31 7.880 -23.903 28.559 1.00 37.53 ATOM 517 HD2 ARG 31 6.816 -23.511 27.211 1.00 43.32 ATOM 518 NE ARG 31 7.316 -21.904 28.427 1.00 65.41 ATOM 519 HE ARG 31 7.628 -21.082 27.996 1.00 70.12 ATOM 520 CZ ARG 31 6.595 -21.797 29.511 1.00 63.24 ATOM 521 NH1 ARG 31 6.185 -22.848 30.144 1.00 34.31 ATOM 522 HH11 ARG 31 6.419 -23.759 29.812 1.00 73.01 ATOM 523 HH12 ARG 31 5.643 -22.741 30.974 1.00 45.30 ATOM 524 NH2 ARG 31 6.286 -20.630 29.967 1.00 23.10 ATOM 525 HH21 ARG 31 6.603 -19.813 29.495 1.00 43.24 ATOM 526 HH22 ARG 31 5.732 -20.552 30.792 1.00 3.12 ATOM 527 C ARG 31 8.280 -25.346 23.749 1.00 31.12 ATOM 528 O ARG 31 8.337 -26.525 24.100 1.00 42.24 ATOM 529 N GLY 32 8.476 -24.958 22.489 1.00 15.45 ATOM 530 HN GLY 32 8.509 -23.998 22.288 1.00 37.53 ATOM 531 CA GLY 32 8.652 -25.930 21.413 1.00 32.34 ATOM 532 HA1 GLY 32 8.974 -26.871 21.836 1.00 37.53 ATOM 533 HA2 GLY 32 9.419 -25.570 20.742 1.00 34.14 ATOM 534 C GLY 32 7.365 -26.157 20.620 1.00 21.11 ATOM 535 O GLY 32 6.918 -27.292 20.441 1.00 73.41 ATOM 536 N ILE 33 6.771 -25.070 20.135 1.00 4.54 ATOM 537 HN ILE 33 7.213 -24.201 20.243 1.00 37.53 ATOM 538 CA ILE 33 5.482 -25.128 19.436 1.00 63.13 ATOM 539 HA ILE 33 5.115 -26.145 19.495 1.00 55.12 ATOM 540 CB ILE 33 4.443 -24.202 20.130 1.00 20.22 ATOM 541 HB ILE 33 4.366 -24.514 21.163 1.00 64.42 ATOM 542 CG1 ILE 33 3.060 -24.341 19.470 1.00 33.14 ATOM 543 HG11 ILE 33 2.726 -25.365 19.571 1.00 37.53 ATOM 544 HG12 ILE 33 3.138 -24.096 18.421 1.00 3.30 ATOM 545 CG2 ILE 33 4.913 -22.746 20.123 1.00 62.31 ATOM 546 HG21 ILE 33 4.194 -22.131 20.646 1.00 52.35 ATOM 547 HG22 ILE 33 5.006 -22.399 19.104 1.00 75.50 ATOM 548 HG23 ILE 33 5.872 -22.674 20.615 1.00 1.41 ATOM 549 CD1 ILE 33 1.996 -23.446 20.076 1.00 51.20 ATOM 550 HD11 ILE 33 1.057 -23.613 19.569 1.00 34.12 ATOM 551 HD12 ILE 33 2.285 -22.411 19.961 1.00 0.33 ATOM 552 HD13 ILE 33 1.883 -23.675 21.126 1.00 4.54 ATOM 553 C ILE 33 5.620 -24.740 17.949 1.00 73.34 ATOM 554 O ILE 33 6.279 -23.754 17.607 1.00 52.43 ATOM 555 N ASN 34 5.020 -25.536 17.064 1.00 1.40 ATOM 556 HN ASN 34 4.580 -26.353 17.381 1.00 37.53 ATOM 557 CA ASN 34 5.016 -25.235 15.626 1.00 65.50 ATOM 558 HA ASN 34 5.786 -24.498 15.442 1.00 55.11 ATOM 559 CB ASN 34 5.346 -26.500 14.818 1.00 20.13 ATOM 560 HB1 ASN 34 4.649 -27.283 15.089 1.00 37.53 ATOM 561 HB2 ASN 34 6.347 -26.822 15.060 1.00 24.03 ATOM 562 CG ASN 34 5.267 -26.288 13.315 1.00 63.15 ATOM 563 OD1 ASN 34 5.383 -25.174 12.820 1.00 75.33 ATOM 564 ND2 ASN 34 5.094 -27.363 12.572 1.00 72.14 ATOM 565 HD21 ASN 34 5.030 -28.235 13.020 1.00 63.20 ATOM 566 HD22 ASN 34 5.050 -27.247 11.602 1.00 42.25 ATOM 567 C ASN 34 3.665 -24.646 15.185 1.00 22.43 ATOM 568 O ASN 34 2.669 -25.363 15.055 1.00 15.31 ATOM 569 N LEU 35 3.639 -23.336 14.954 1.00 21.25 ATOM 570 HN LEU 35 4.468 -22.817 15.051 1.00 37.53 ATOM 571 CA LEU 35 2.410 -22.647 14.552 1.00 24.11 ATOM 572 HA LEU 35 1.607 -23.032 15.165 1.00 51.31 ATOM 573 CB LEU 35 2.533 -21.135 14.801 1.00 44.41 ATOM 574 HB1 LEU 35 1.654 -20.652 14.398 1.00 37.53 ATOM 575 HB2 LEU 35 3.398 -20.772 14.262 1.00 74.02 ATOM 576 CG LEU 35 2.674 -20.717 16.276 1.00 35.22 ATOM 577 HG LEU 35 3.561 -21.178 16.689 1.00 2.33 ATOM 578 CD1 LEU 35 2.840 -19.203 16.397 1.00 74.55 ATOM 579 HD11 LEU 35 2.958 -18.935 17.437 1.00 54.33 ATOM 580 HD12 LEU 35 1.966 -18.709 15.996 1.00 1.33 ATOM 581 HD13 LEU 35 3.714 -18.890 15.845 1.00 32.12 ATOM 582 CD2 LEU 35 1.471 -21.193 17.092 1.00 54.23 ATOM 583 HD21 LEU 35 0.566 -20.768 16.684 1.00 53.34 ATOM 584 HD22 LEU 35 1.584 -20.880 18.121 1.00 53.13 ATOM 585 HD23 LEU 35 1.413 -22.271 17.051 1.00 53.05 ATOM 586 C LEU 35 2.064 -22.916 13.079 1.00 33.30 ATOM 587 O LEU 35 0.889 -22.925 12.705 1.00 52.15 ATOM 588 N ARG 36 3.082 -23.143 12.244 1.00 50.44 ATOM 589 HN ARG 36 4.001 -23.123 12.590 1.00 37.53 ATOM 590 CA ARG 36 2.851 -23.421 10.821 1.00 41.42 ATOM 591 HA ARG 36 2.364 -22.552 10.397 1.00 55.12 ATOM 592 CB ARG 36 4.169 -23.662 10.067 1.00 31.44 ATOM 593 HB1 ARG 36 4.736 -24.429 10.578 1.00 37.53 ATOM 594 HB2 ARG 36 4.742 -22.745 10.055 1.00 14.25 ATOM 595 CG ARG 36 3.939 -24.111 8.626 1.00 44.14 ATOM 596 HG1 ARG 36 3.453 -23.307 8.090 1.00 37.53 ATOM 597 HG2 ARG 36 3.287 -24.973 8.633 1.00 15.40 ATOM 598 CD ARG 36 5.222 -24.484 7.892 1.00 24.33 ATOM 599 HD1 ARG 36 5.873 -25.022 8.566 1.00 37.53 ATOM 600 HD2 ARG 36 5.712 -23.581 7.555 1.00 70.35 ATOM 601 NE ARG 36 4.925 -25.332 6.743 1.00 14.31 ATOM 602 HE ARG 36 4.387 -26.133 6.911 1.00 1.04 ATOM 603 CZ ARG 36 5.293 -25.094 5.516 1.00 52.31 ATOM 604 NH1 ARG 36 6.011 -24.056 5.221 1.00 13.21 ATOM 605 HH11 ARG 36 6.290 -23.421 5.938 1.00 14.22 ATOM 606 HH12 ARG 36 6.276 -23.888 4.275 1.00 31.21 ATOM 607 NH2 ARG 36 4.917 -25.901 4.578 1.00 74.50 ATOM 608 HH21 ARG 36 4.344 -26.690 4.802 1.00 61.21 ATOM 609 HH22 ARG 36 5.194 -25.736 3.636 1.00 62.20 ATOM 610 C ARG 36 1.926 -24.633 10.630 1.00 42.45 ATOM 611 O ARG 36 0.994 -24.585 9.829 1.00 32.51 ATOM 612 N LYS 37 2.186 -25.710 11.377 1.00 44.43 ATOM 613 HN LYS 37 2.948 -25.684 11.992 1.00 37.53 ATOM 614 CA LYS 37 1.372 -26.934 11.297 1.00 44.33 ATOM 615 HA LYS 37 1.539 -27.377 10.325 1.00 5.54 ATOM 616 CB LYS 37 1.820 -27.930 12.390 1.00 52.22 ATOM 617 HB1 LYS 37 1.421 -27.599 13.338 1.00 37.53 ATOM 618 HB2 LYS 37 2.898 -27.915 12.446 1.00 24.05 ATOM 619 CG LYS 37 1.378 -29.386 12.172 1.00 1.43 ATOM 620 HG1 LYS 37 1.973 -30.026 12.811 1.00 37.53 ATOM 621 HG2 LYS 37 1.556 -29.652 11.140 1.00 61.33 ATOM 622 CD LYS 37 -0.102 -29.612 12.488 1.00 34.23 ATOM 623 HD1 LYS 37 -0.389 -30.594 12.137 1.00 37.53 ATOM 624 HD2 LYS 37 -0.679 -28.864 11.969 1.00 53.55 ATOM 625 CE LYS 37 -0.406 -29.505 13.982 1.00 71.32 ATOM 626 HE1 LYS 37 -1.477 -29.510 14.118 1.00 37.53 ATOM 627 HE2 LYS 37 -0.005 -28.573 14.353 1.00 70.33 ATOM 628 NZ LYS 37 0.183 -30.624 14.770 1.00 31.35 ATOM 629 HZ1 LYS 37 -0.079 -30.529 15.774 1.00 42.12 ATOM 630 HZ2 LYS 37 1.220 -30.620 14.690 1.00 1.44 ATOM 631 HZ3 LYS 37 -0.173 -31.537 14.418 1.00 64.22 ATOM 632 C LYS 37 -0.125 -26.602 11.439 1.00 73.35 ATOM 633 O LYS 37 -0.972 -27.189 10.768 1.00 70.11 ATOM 634 N ILE 38 -0.435 -25.640 12.307 1.00 41.12 ATOM 635 HN ILE 38 0.284 -25.199 12.802 1.00 37.53 ATOM 636 CA ILE 38 -1.818 -25.206 12.524 1.00 14.30 ATOM 637 HA ILE 38 -2.426 -26.086 12.693 1.00 44.52 ATOM 638 CB ILE 38 -1.932 -24.282 13.765 1.00 75.54 ATOM 639 HB ILE 38 -1.430 -23.351 13.536 1.00 14.14 ATOM 640 CG1 ILE 38 -1.250 -24.928 14.985 1.00 75.04 ATOM 641 HG11 ILE 38 -1.350 -24.271 15.838 1.00 37.53 ATOM 642 HG12 ILE 38 -0.200 -25.067 14.770 1.00 5.51 ATOM 643 CG2 ILE 38 -3.398 -23.965 14.065 1.00 13.45 ATOM 644 HG21 ILE 38 -3.846 -23.478 13.210 1.00 2.55 ATOM 645 HG22 ILE 38 -3.459 -23.309 14.921 1.00 71.34 ATOM 646 HG23 ILE 38 -3.932 -24.881 14.277 1.00 1.23 ATOM 647 CD1 ILE 38 -1.823 -26.275 15.368 1.00 55.42 ATOM 648 HD11 ILE 38 -1.691 -26.970 14.551 1.00 71.04 ATOM 649 HD12 ILE 38 -2.875 -26.171 15.585 1.00 54.03 ATOM 650 HD13 ILE 38 -1.312 -26.648 16.243 1.00 41.40 ATOM 651 C ILE 38 -2.351 -24.457 11.293 1.00 62.40 ATOM 652 O ILE 38 -3.446 -24.735 10.806 1.00 62.50 ATOM 653 N ALA 39 -1.555 -23.513 10.790 1.00 22.24 ATOM 654 HN ALA 39 -0.692 -23.340 11.227 1.00 37.53 ATOM 655 CA ALA 39 -1.927 -22.723 9.611 1.00 32.44 ATOM 656 HA ALA 39 -2.835 -22.187 9.848 1.00 12.43 ATOM 657 CB ALA 39 -0.843 -21.696 9.305 1.00 31.33 ATOM 658 HB1 ALA 39 0.081 -22.204 9.061 1.00 64.14 ATOM 659 HB2 ALA 39 -0.688 -21.068 10.170 1.00 50.24 ATOM 660 HB3 ALA 39 -1.150 -21.086 8.468 1.00 51.25 ATOM 661 C ALA 39 -2.183 -23.608 8.380 1.00 11.10 ATOM 662 O ALA 39 -3.134 -23.383 7.629 1.00 21.24 ATOM 663 N GLU 40 -1.336 -24.619 8.185 1.00 14.14 ATOM 664 HN GLU 40 -0.597 -24.746 8.814 1.00 37.53 ATOM 665 CA GLU 40 -1.476 -25.544 7.050 1.00 61.22 ATOM 666 HA GLU 40 -1.480 -24.949 6.147 1.00 1.34 ATOM 667 CB GLU 40 -0.285 -26.517 6.990 1.00 43.41 ATOM 668 HB1 GLU 40 -0.452 -27.224 6.188 1.00 37.53 ATOM 669 HB2 GLU 40 -0.226 -27.057 7.924 1.00 3.20 ATOM 670 CG GLU 40 1.057 -25.832 6.747 1.00 73.23 ATOM 671 HG1 GLU 40 1.276 -25.190 7.590 1.00 37.53 ATOM 672 HG2 GLU 40 0.981 -25.229 5.852 1.00 24.43 ATOM 673 CD GLU 40 2.208 -26.816 6.570 1.00 14.11 ATOM 674 OE1 GLU 40 2.817 -27.223 7.582 1.00 23.40 ATOM 675 OE2 GLU 40 2.524 -27.176 5.416 1.00 15.53 ATOM 676 C GLU 40 -2.795 -26.329 7.116 1.00 31.34 ATOM 677 O GLU 40 -3.273 -26.845 6.102 1.00 41.11 ATOM 678 N LEU 41 -3.385 -26.410 8.310 1.00 21.02 ATOM 679 HN LEU 41 -2.942 -26.006 9.087 1.00 37.53 ATOM 680 CA LEU 41 -4.675 -27.089 8.498 1.00 53.24 ATOM 681 HA LEU 41 -4.717 -27.918 7.805 1.00 61.20 ATOM 682 CB LEU 41 -4.784 -27.639 9.930 1.00 3.03 ATOM 683 HB1 LEU 41 -5.764 -28.082 10.049 1.00 37.53 ATOM 684 HB2 LEU 41 -4.701 -26.809 10.619 1.00 31.04 ATOM 685 CG LEU 41 -3.733 -28.693 10.318 1.00 23.33 ATOM 686 HG LEU 41 -2.749 -28.256 10.227 1.00 43.32 ATOM 687 CD1 LEU 41 -3.918 -29.128 11.770 1.00 11.13 ATOM 688 HD11 LEU 41 -3.157 -29.849 12.030 1.00 30.23 ATOM 689 HD12 LEU 41 -4.894 -29.576 11.892 1.00 4.02 ATOM 690 HD13 LEU 41 -3.833 -28.267 12.417 1.00 35.41 ATOM 691 CD2 LEU 41 -3.801 -29.898 9.379 1.00 20.31 ATOM 692 HD21 LEU 41 -3.581 -29.580 8.368 1.00 65.42 ATOM 693 HD22 LEU 41 -4.791 -30.329 9.412 1.00 64.20 ATOM 694 HD23 LEU 41 -3.076 -30.637 9.687 1.00 10.21 ATOM 695 C LEU 41 -5.863 -26.153 8.209 1.00 2.33 ATOM 696 O LEU 41 -7.020 -26.559 8.321 1.00 62.22 ATOM 697 N MET 42 -5.578 -24.903 7.830 1.00 14.51 ATOM 698 HN MET 42 -4.638 -24.637 7.740 1.00 37.53 ATOM 699 CA MET 42 -6.631 -23.914 7.550 1.00 11.51 ATOM 700 HA MET 42 -7.587 -24.390 7.717 1.00 2.11 ATOM 701 CB MET 42 -6.503 -22.722 8.512 1.00 72.51 ATOM 702 HB1 MET 42 -7.290 -22.013 8.298 1.00 37.53 ATOM 703 HB2 MET 42 -5.548 -22.243 8.346 1.00 31.33 ATOM 704 CG MET 42 -6.592 -23.104 9.985 1.00 23.00 ATOM 705 HG1 MET 42 -5.804 -23.809 10.210 1.00 37.53 ATOM 706 HG2 MET 42 -7.550 -23.569 10.168 1.00 45.14 ATOM 707 SD MET 42 -6.423 -21.682 11.084 1.00 72.53 ATOM 708 CE MET 42 -7.830 -20.693 10.586 1.00 1.44 ATOM 709 HE1 MET 42 -8.740 -21.252 10.745 1.00 20.10 ATOM 710 HE2 MET 42 -7.742 -20.440 9.539 1.00 61.41 ATOM 711 HE3 MET 42 -7.858 -19.788 11.174 1.00 4.52 ATOM 712 C MET 42 -6.580 -23.417 6.088 1.00 42.22 ATOM 713 O MET 42 -6.046 -22.338 5.804 1.00 12.41 ATOM 714 N PRO 43 -7.119 -24.202 5.133 1.00 74.52 ATOM 715 CA PRO 43 -7.155 -23.814 3.715 1.00 62.24 ATOM 716 HA PRO 43 -6.226 -23.350 3.410 1.00 2.32 ATOM 717 CB PRO 43 -7.311 -25.162 3.006 1.00 40.23 ATOM 718 HB1 PRO 43 -6.334 -25.583 2.809 1.00 37.53 ATOM 719 HB2 PRO 43 -7.843 -25.028 2.074 1.00 43.03 ATOM 720 CG PRO 43 -8.084 -26.010 3.965 1.00 34.35 ATOM 721 HG1 PRO 43 -7.809 -27.048 3.841 1.00 37.53 ATOM 722 HG2 PRO 43 -9.145 -25.884 3.793 1.00 71.24 ATOM 723 CD PRO 43 -7.719 -25.535 5.354 1.00 23.11 ATOM 724 HD1 PRO 43 -7.002 -26.206 5.807 1.00 37.53 ATOM 725 HD2 PRO 43 -8.603 -25.459 5.972 1.00 41.01 ATOM 726 C PRO 43 -8.329 -22.873 3.381 1.00 30.33 ATOM 727 O PRO 43 -9.483 -23.160 3.702 1.00 42.51 ATOM 728 N GLY 44 -8.020 -21.744 2.739 1.00 34.41 ATOM 729 HN GLY 44 -7.084 -21.572 2.502 1.00 37.53 ATOM 730 CA GLY 44 -9.053 -20.777 2.360 1.00 21.13 ATOM 731 HA1 GLY 44 -9.912 -21.317 1.986 1.00 37.53 ATOM 732 HA2 GLY 44 -8.666 -20.158 1.564 1.00 2.35 ATOM 733 C GLY 44 -9.506 -19.867 3.504 1.00 73.43 ATOM 734 O GLY 44 -10.363 -19.001 3.311 1.00 2.05 ATOM 735 N ALA 45 -8.933 -20.053 4.691 1.00 70.11 ATOM 736 HN ALA 45 -8.241 -20.739 4.781 1.00 37.53 ATOM 737 CA ALA 45 -9.306 -19.256 5.869 1.00 12.24 ATOM 738 HA ALA 45 -10.365 -19.040 5.804 1.00 54.23 ATOM 739 CB ALA 45 -9.072 -20.068 7.138 1.00 74.51 ATOM 740 HB1 ALA 45 -8.020 -20.296 7.233 1.00 54.41 ATOM 741 HB2 ALA 45 -9.636 -20.989 7.086 1.00 64.33 ATOM 742 HB3 ALA 45 -9.395 -19.499 7.998 1.00 55.34 ATOM 743 C ALA 45 -8.532 -17.926 5.932 1.00 44.24 ATOM 744 O ALA 45 -7.442 -17.801 5.371 1.00 73.12 ATOM 745 N SER 46 -9.101 -16.935 6.622 1.00 41.35 ATOM 746 HN SER 46 -9.973 -17.088 7.047 1.00 37.53 ATOM 747 CA SER 46 -8.466 -15.612 6.756 1.00 23.14 ATOM 748 HA SER 46 -7.420 -15.733 6.504 1.00 70.51 ATOM 749 CB SER 46 -9.091 -14.619 5.754 1.00 23.24 ATOM 750 HB1 SER 46 -8.750 -14.862 4.757 1.00 37.53 ATOM 751 HB2 SER 46 -8.781 -13.615 5.996 1.00 14.12 ATOM 752 OG SER 46 -10.510 -14.669 5.768 1.00 61.53 ATOM 753 HG SER 46 -10.825 -14.683 6.683 1.00 63.21 ATOM 754 C SER 46 -8.537 -15.077 8.206 1.00 62.43 ATOM 755 O SER 46 -8.860 -15.821 9.134 1.00 63.13 ATOM 756 N GLY 47 -8.235 -13.782 8.384 1.00 34.03 ATOM 757 HN GLY 47 -8.169 -13.203 7.601 1.00 37.53 ATOM 758 CA GLY 47 -7.997 -13.199 9.714 1.00 34.35 ATOM 759 HA1 GLY 47 -7.976 -12.123 9.606 1.00 37.53 ATOM 760 HA2 GLY 47 -7.022 -13.519 10.049 1.00 35.00 ATOM 761 C GLY 47 -9.012 -13.554 10.805 1.00 1.23 ATOM 762 O GLY 47 -8.626 -14.019 11.881 1.00 61.44 ATOM 763 N ALA 48 -10.300 -13.338 10.546 1.00 1.20 ATOM 764 HN ALA 48 -10.562 -13.024 9.654 1.00 37.53 ATOM 765 CA ALA 48 -11.335 -13.569 11.565 1.00 43.35 ATOM 766 HA ALA 48 -11.090 -12.954 12.422 1.00 12.41 ATOM 767 CB ALA 48 -12.701 -13.129 11.052 1.00 73.44 ATOM 768 HB1 ALA 48 -12.653 -12.096 10.736 1.00 52.05 ATOM 769 HB2 ALA 48 -13.434 -13.229 11.840 1.00 70.30 ATOM 770 HB3 ALA 48 -12.988 -13.747 10.214 1.00 45.11 ATOM 771 C ALA 48 -11.376 -15.035 12.014 1.00 11.10 ATOM 772 O ALA 48 -11.553 -15.333 13.200 1.00 42.44 ATOM 773 N GLU 49 -11.201 -15.949 11.063 1.00 20.00 ATOM 774 HN GLU 49 -11.077 -15.652 10.137 1.00 37.53 ATOM 775 CA GLU 49 -11.184 -17.384 11.364 1.00 22.12 ATOM 776 HA GLU 49 -12.057 -17.602 11.966 1.00 31.23 ATOM 777 CB GLU 49 -11.252 -18.218 10.071 1.00 32.02 ATOM 778 HB1 GLU 49 -11.197 -19.265 10.332 1.00 37.53 ATOM 779 HB2 GLU 49 -10.401 -17.969 9.452 1.00 43.14 ATOM 780 CG GLU 49 -12.521 -18.000 9.243 1.00 44.24 ATOM 781 HG1 GLU 49 -13.380 -18.092 9.894 1.00 37.53 ATOM 782 HG2 GLU 49 -12.571 -18.764 8.479 1.00 61.42 ATOM 783 CD GLU 49 -12.564 -16.638 8.563 1.00 33.42 ATOM 784 OE1 GLU 49 -13.312 -15.749 9.025 1.00 10.45 ATOM 785 OE2 GLU 49 -11.835 -16.448 7.571 1.00 52.54 ATOM 786 C GLU 49 -9.927 -17.755 12.167 1.00 63.23 ATOM 787 O GLU 49 -9.974 -18.600 13.064 1.00 4.30 ATOM 788 N VAL 50 -8.807 -17.111 11.843 1.00 65.03 ATOM 789 HN VAL 50 -8.821 -16.482 11.090 1.00 37.53 ATOM 790 CA VAL 50 -7.557 -17.316 12.580 1.00 1.45 ATOM 791 HA VAL 50 -7.334 -18.376 12.565 1.00 12.32 ATOM 792 CB VAL 50 -6.377 -16.563 11.917 1.00 24.42 ATOM 793 HB VAL 50 -6.629 -15.511 11.873 1.00 63.13 ATOM 794 CG1 VAL 50 -5.107 -16.713 12.751 1.00 74.14 ATOM 795 HG11 VAL 50 -4.873 -17.762 12.870 1.00 52.31 ATOM 796 HG12 VAL 50 -5.258 -16.267 13.723 1.00 52.42 ATOM 797 HG13 VAL 50 -4.286 -16.218 12.253 1.00 4.25 ATOM 798 CG2 VAL 50 -6.154 -17.057 10.487 1.00 44.14 ATOM 799 HG21 VAL 50 -5.344 -16.500 10.036 1.00 0.11 ATOM 800 HG22 VAL 50 -7.055 -16.911 9.909 1.00 13.12 ATOM 801 HG23 VAL 50 -5.901 -18.107 10.501 1.00 42.21 ATOM 802 C VAL 50 -7.695 -16.861 14.043 1.00 20.13 ATOM 803 O VAL 50 -7.327 -17.588 14.970 1.00 32.33 ATOM 804 N LYS 51 -8.227 -15.654 14.249 1.00 11.42 ATOM 805 HN LYS 51 -8.445 -15.088 13.476 1.00 37.53 ATOM 806 CA LYS 51 -8.491 -15.157 15.604 1.00 32.02 ATOM 807 HA LYS 51 -7.554 -15.175 16.145 1.00 11.51 ATOM 808 CB LYS 51 -9.014 -13.711 15.568 1.00 41.03 ATOM 809 HB1 LYS 51 -9.903 -13.675 14.952 1.00 37.53 ATOM 810 HB2 LYS 51 -8.256 -13.080 15.125 1.00 21.43 ATOM 811 CG LYS 51 -9.360 -13.152 16.949 1.00 62.23 ATOM 812 HG1 LYS 51 -8.521 -13.319 17.611 1.00 37.53 ATOM 813 HG2 LYS 51 -10.226 -13.674 17.331 1.00 3.50 ATOM 814 CD LYS 51 -9.667 -11.657 16.909 1.00 54.34 ATOM 815 HD1 LYS 51 -8.779 -11.127 16.589 1.00 37.53 ATOM 816 HD2 LYS 51 -9.937 -11.331 17.903 1.00 24.22 ATOM 817 CE LYS 51 -10.812 -11.324 15.956 1.00 71.42 ATOM 818 HE1 LYS 51 -10.565 -11.693 14.970 1.00 37.53 ATOM 819 HE2 LYS 51 -10.926 -10.249 15.916 1.00 55.44 ATOM 820 NZ LYS 51 -12.105 -11.925 16.384 1.00 71.44 ATOM 821 HZ1 LYS 51 -12.037 -12.963 16.403 1.00 24.51 ATOM 822 HZ2 LYS 51 -12.858 -11.658 15.718 1.00 4.22 ATOM 823 HZ3 LYS 51 -12.358 -11.588 17.334 1.00 5.53 ATOM 824 C LYS 51 -9.489 -16.071 16.330 1.00 42.31 ATOM 825 O LYS 51 -9.409 -16.261 17.546 1.00 72.11 ATOM 826 N GLY 52 -10.422 -16.640 15.566 1.00 65.34 ATOM 827 HN GLY 52 -10.484 -16.386 14.621 1.00 37.53 ATOM 828 CA GLY 52 -11.346 -17.627 16.108 1.00 72.11 ATOM 829 HA1 GLY 52 -12.000 -17.965 15.317 1.00 37.53 ATOM 830 HA2 GLY 52 -11.943 -17.163 16.881 1.00 13.22 ATOM 831 C GLY 52 -10.618 -18.832 16.697 1.00 41.34 ATOM 832 O GLY 52 -10.827 -19.185 17.853 1.00 21.22 ATOM 833 N VAL 53 -9.733 -19.443 15.903 1.00 32.44 ATOM 834 HN VAL 53 -9.618 -19.119 14.984 1.00 37.53 ATOM 835 CA VAL 53 -8.924 -20.582 16.361 1.00 4.14 ATOM 836 HA VAL 53 -9.600 -21.386 16.622 1.00 53.32 ATOM 837 CB VAL 53 -7.986 -21.085 15.232 1.00 51.14 ATOM 838 HB VAL 53 -7.368 -20.256 14.910 1.00 14.22 ATOM 839 CG1 VAL 53 -7.064 -22.197 15.733 1.00 31.41 ATOM 840 HG11 VAL 53 -6.475 -21.832 16.562 1.00 13.42 ATOM 841 HG12 VAL 53 -6.405 -22.508 14.934 1.00 24.03 ATOM 842 HG13 VAL 53 -7.659 -23.039 16.057 1.00 64.00 ATOM 843 CG2 VAL 53 -8.804 -21.562 14.031 1.00 32.13 ATOM 844 HG21 VAL 53 -8.138 -21.931 13.263 1.00 14.42 ATOM 845 HG22 VAL 53 -9.383 -20.739 13.638 1.00 32.44 ATOM 846 HG23 VAL 53 -9.471 -22.356 14.339 1.00 70.00 ATOM 847 C VAL 53 -8.087 -20.220 17.600 1.00 13.20 ATOM 848 O VAL 53 -8.048 -20.967 18.579 1.00 21.11 ATOM 849 N CYS 54 -7.432 -19.060 17.556 1.00 61.23 ATOM 850 HN CYS 54 -7.495 -18.510 16.744 1.00 37.53 ATOM 851 CA CYS 54 -6.609 -18.587 18.680 1.00 63.44 ATOM 852 HA CYS 54 -5.859 -19.339 18.875 1.00 23.34 ATOM 853 CB CYS 54 -5.908 -17.277 18.310 1.00 64.23 ATOM 854 HB1 CYS 54 -6.653 -16.532 18.071 1.00 37.53 ATOM 855 HB2 CYS 54 -5.285 -17.444 17.444 1.00 14.32 ATOM 856 SG CYS 54 -4.854 -16.605 19.619 1.00 65.12 ATOM 857 HG CYS 54 -5.523 -16.680 20.764 1.00 32.34 ATOM 858 C CYS 54 -7.442 -18.382 19.956 1.00 65.12 ATOM 859 O CYS 54 -6.968 -18.623 21.069 1.00 24.33 ATOM 860 N THR 55 -8.682 -17.928 19.788 1.00 14.41 ATOM 861 HN THR 55 -8.993 -17.719 18.881 1.00 37.53 ATOM 862 CA THR 55 -9.597 -17.725 20.921 1.00 30.12 ATOM 863 HA THR 55 -9.042 -17.237 21.713 1.00 74.32 ATOM 864 CB THR 55 -10.796 -16.814 20.534 1.00 1.21 ATOM 865 HB THR 55 -11.351 -17.293 19.739 1.00 42.23 ATOM 866 OG1 THR 55 -10.321 -15.539 20.066 1.00 31.03 ATOM 867 HG1 THR 55 -10.378 -15.510 19.102 1.00 63.32 ATOM 868 CG2 THR 55 -11.737 -16.595 21.719 1.00 4.20 ATOM 869 HG21 THR 55 -11.198 -16.114 22.524 1.00 32.40 ATOM 870 HG22 THR 55 -12.120 -17.545 22.060 1.00 14.22 ATOM 871 HG23 THR 55 -12.561 -15.966 21.411 1.00 70.05 ATOM 872 C THR 55 -10.135 -19.066 21.443 1.00 73.43 ATOM 873 O THR 55 -10.162 -19.309 22.651 1.00 74.02 ATOM 874 N GLU 56 -10.549 -19.938 20.521 1.00 73.04 ATOM 875 HN GLU 56 -10.501 -19.687 19.576 1.00 37.53 ATOM 876 CA GLU 56 -11.080 -21.260 20.877 1.00 4.32 ATOM 877 HA GLU 56 -11.880 -21.106 21.588 1.00 44.43 ATOM 878 CB GLU 56 -11.652 -21.972 19.642 1.00 75.22 ATOM 879 HB1 GLU 56 -12.001 -22.953 19.938 1.00 37.53 ATOM 880 HB2 GLU 56 -10.864 -22.089 18.911 1.00 33.32 ATOM 881 CG GLU 56 -12.812 -21.236 18.976 1.00 60.14 ATOM 882 HG1 GLU 56 -13.212 -21.860 18.189 1.00 37.53 ATOM 883 HG2 GLU 56 -12.438 -20.318 18.546 1.00 34.51 ATOM 884 CD GLU 56 -13.935 -20.901 19.945 1.00 43.31 ATOM 885 OE1 GLU 56 -14.386 -21.811 20.673 1.00 64.43 ATOM 886 OE2 GLU 56 -14.377 -19.732 19.976 1.00 23.53 ATOM 887 C GLU 56 -10.010 -22.139 21.537 1.00 5.24 ATOM 888 O GLU 56 -10.320 -22.967 22.393 1.00 13.01 ATOM 889 N ALA 57 -8.752 -21.954 21.134 1.00 15.52 ATOM 890 HN ALA 57 -8.577 -21.327 20.401 1.00 37.53 ATOM 891 CA ALA 57 -7.624 -22.670 21.744 1.00 23.40 ATOM 892 HA ALA 57 -7.735 -23.722 21.514 1.00 3.32 ATOM 893 CB ALA 57 -6.308 -22.185 21.143 1.00 53.24 ATOM 894 HB1 ALA 57 -5.489 -22.757 21.555 1.00 24.32 ATOM 895 HB2 ALA 57 -6.168 -21.139 21.376 1.00 32.32 ATOM 896 HB3 ALA 57 -6.332 -22.312 20.070 1.00 41.21 ATOM 897 C ALA 57 -7.615 -22.489 23.270 1.00 24.21 ATOM 898 O ALA 57 -7.396 -23.438 24.024 1.00 74.24 ATOM 899 N GLY 58 -7.877 -21.262 23.715 1.00 44.10 ATOM 900 HN GLY 58 -8.018 -20.539 23.068 1.00 37.53 ATOM 901 CA GLY 58 -7.954 -20.977 25.141 1.00 54.45 ATOM 902 HA1 GLY 58 -8.126 -19.919 25.270 1.00 37.53 ATOM 903 HA2 GLY 58 -7.009 -21.232 25.600 1.00 31.42 ATOM 904 C GLY 58 -9.071 -21.750 25.842 1.00 2.44 ATOM 905 O GLY 58 -8.991 -22.020 27.039 1.00 44.03 ATOM 906 N MET 59 -10.113 -22.117 25.092 1.00 54.23 ATOM 907 HN MET 59 -10.127 -21.865 24.144 1.00 37.53 ATOM 908 CA MET 59 -11.234 -22.893 25.641 1.00 75.35 ATOM 909 HA MET 59 -11.554 -22.407 26.552 1.00 45.12 ATOM 910 CB MET 59 -12.407 -22.919 24.648 1.00 44.53 ATOM 911 HB1 MET 59 -13.218 -23.481 25.090 1.00 37.53 ATOM 912 HB2 MET 59 -12.085 -23.424 23.747 1.00 30.22 ATOM 913 CG MET 59 -12.946 -21.541 24.254 1.00 11.30 ATOM 914 HG1 MET 59 -13.362 -21.608 23.258 1.00 37.53 ATOM 915 HG2 MET 59 -12.125 -20.838 24.244 1.00 53.33 ATOM 916 SD MET 59 -14.228 -20.907 25.369 1.00 72.45 ATOM 917 CE MET 59 -13.326 -20.646 26.896 1.00 55.13 ATOM 918 HE1 MET 59 -13.974 -20.172 27.617 1.00 13.42 ATOM 919 HE2 MET 59 -12.472 -20.013 26.706 1.00 34.15 ATOM 920 HE3 MET 59 -12.991 -21.595 27.286 1.00 65.21 ATOM 921 C MET 59 -10.797 -24.327 25.978 1.00 73.14 ATOM 922 O MET 59 -11.229 -24.901 26.983 1.00 40.34 ATOM 923 N TYR 60 -9.943 -24.904 25.131 1.00 53.20 ATOM 924 HN TYR 60 -9.686 -24.426 24.312 1.00 37.53 ATOM 925 CA TYR 60 -9.373 -26.234 25.389 1.00 51.13 ATOM 926 HA TYR 60 -10.190 -26.901 25.627 1.00 73.24 ATOM 927 CB TYR 60 -8.649 -26.760 24.143 1.00 15.33 ATOM 928 HB1 TYR 60 -8.164 -27.696 24.383 1.00 37.53 ATOM 929 HB2 TYR 60 -7.900 -26.042 23.840 1.00 54.01 ATOM 930 CG TYR 60 -9.570 -27.001 22.959 1.00 15.50 ATOM 931 CD1 TYR 60 -9.784 -26.016 22.000 1.00 71.12 ATOM 932 HD1 TYR 60 -9.280 -25.066 22.101 1.00 10.35 ATOM 933 CD2 TYR 60 -10.231 -28.217 22.806 1.00 43.01 ATOM 934 HD2 TYR 60 -10.078 -28.994 23.539 1.00 71.14 ATOM 935 CE1 TYR 60 -10.623 -26.237 20.926 1.00 63.14 ATOM 936 HE1 TYR 60 -10.777 -25.459 20.191 1.00 24.11 ATOM 937 CE2 TYR 60 -11.070 -28.443 21.734 1.00 5.00 ATOM 938 HE2 TYR 60 -11.573 -29.395 21.633 1.00 51.00 ATOM 939 CZ TYR 60 -11.263 -27.451 20.798 1.00 24.32 ATOM 940 OH TYR 60 -12.099 -27.676 19.728 1.00 4.34 ATOM 941 HH TYR 60 -11.631 -27.479 18.905 1.00 30.55 ATOM 942 C TYR 60 -8.411 -26.189 26.583 1.00 21.41 ATOM 943 O TYR 60 -8.268 -27.161 27.327 1.00 31.13 ATOM 944 N ALA 61 -7.761 -25.046 26.761 1.00 12.11 ATOM 945 HN ALA 61 -7.849 -24.341 26.085 1.00 37.53 ATOM 946 CA ALA 61 -6.889 -24.825 27.911 1.00 63.31 ATOM 947 HA ALA 61 -6.227 -25.676 27.991 1.00 21.51 ATOM 948 CB ALA 61 -6.035 -23.580 27.685 1.00 51.52 ATOM 949 HB1 ALA 61 -5.333 -23.469 28.500 1.00 23.13 ATOM 950 HB2 ALA 61 -6.673 -22.709 27.639 1.00 4.22 ATOM 951 HB3 ALA 61 -5.494 -23.677 26.755 1.00 62.13 ATOM 952 C ALA 61 -7.693 -24.701 29.218 1.00 10.32 ATOM 953 O ALA 61 -7.459 -25.438 30.176 1.00 25.24 ATOM 954 N LEU 62 -8.654 -23.777 29.245 1.00 60.01 ATOM 955 HN LEU 62 -8.832 -23.255 28.433 1.00 37.53 ATOM 956 CA LEU 62 -9.449 -23.511 30.455 1.00 5.22 ATOM 957 HA LEU 62 -8.759 -23.196 31.226 1.00 15.50 ATOM 958 CB LEU 62 -10.445 -22.372 30.201 1.00 22.41 ATOM 959 HB1 LEU 62 -11.057 -22.253 31.084 1.00 37.53 ATOM 960 HB2 LEU 62 -11.085 -22.659 29.377 1.00 52.42 ATOM 961 CG LEU 62 -9.811 -21.010 29.870 1.00 24.22 ATOM 962 HG LEU 62 -9.266 -21.094 28.940 1.00 23.10 ATOM 963 CD1 LEU 62 -10.887 -19.945 29.680 1.00 2.21 ATOM 964 HD11 LEU 62 -11.443 -19.826 30.599 1.00 10.40 ATOM 965 HD12 LEU 62 -11.558 -20.247 28.891 1.00 23.24 ATOM 966 HD13 LEU 62 -10.422 -19.006 29.416 1.00 63.13 ATOM 967 CD2 LEU 62 -8.822 -20.594 30.958 1.00 62.34 ATOM 968 HD21 LEU 62 -9.332 -20.546 31.911 1.00 32.30 ATOM 969 HD22 LEU 62 -8.413 -19.623 30.722 1.00 24.32 ATOM 970 HD23 LEU 62 -8.021 -21.317 31.014 1.00 24.10 ATOM 971 C LEU 62 -10.193 -24.761 30.957 1.00 52.51 ATOM 972 O LEU 62 -10.232 -25.020 32.163 1.00 11.22 ATOM 973 N ARG 63 -10.771 -25.538 30.037 1.00 10.50 ATOM 974 HN ARG 63 -10.721 -25.279 29.091 1.00 37.53 ATOM 975 CA ARG 63 -11.491 -26.769 30.409 1.00 72.11 ATOM 976 HA ARG 63 -12.332 -26.487 31.027 1.00 10.12 ATOM 977 CB ARG 63 -12.014 -27.498 29.155 1.00 21.11 ATOM 978 HB1 ARG 63 -12.543 -26.790 28.533 1.00 37.53 ATOM 979 HB2 ARG 63 -12.700 -28.277 29.461 1.00 62.15 ATOM 980 CG ARG 63 -10.907 -28.132 28.325 1.00 31.52 ATOM 981 HG1 ARG 63 -10.307 -28.754 28.974 1.00 37.53 ATOM 982 HG2 ARG 63 -10.289 -27.346 27.917 1.00 72.32 ATOM 983 CD ARG 63 -11.428 -28.985 27.174 1.00 64.12 ATOM 984 HD1 ARG 63 -11.862 -28.339 26.423 1.00 37.53 ATOM 985 HD2 ARG 63 -12.182 -29.663 27.551 1.00 23.32 ATOM 986 NE ARG 63 -10.345 -29.762 26.572 1.00 44.34 ATOM 987 HE ARG 63 -9.477 -29.754 27.029 1.00 52.10 ATOM 988 CZ ARG 63 -10.447 -30.473 25.487 1.00 61.22 ATOM 989 NH1 ARG 63 -11.551 -30.506 24.809 1.00 54.31 ATOM 990 HH11 ARG 63 -12.341 -29.978 25.113 1.00 45.03 ATOM 991 HH12 ARG 63 -11.609 -31.055 23.979 1.00 40.25 ATOM 992 NH2 ARG 63 -9.423 -31.149 25.079 1.00 21.45 ATOM 993 HH21 ARG 63 -8.569 -31.116 25.604 1.00 41.30 ATOM 994 HH22 ARG 63 -9.480 -31.692 24.245 1.00 54.42 ATOM 995 C ARG 63 -10.581 -27.721 31.214 1.00 34.41 ATOM 996 O ARG 63 -11.032 -28.405 32.134 1.00 0.42 ATOM 997 N GLU 64 -9.293 -27.752 30.859 1.00 23.01 ATOM 998 HN GLU 64 -8.988 -27.170 30.131 1.00 37.53 ATOM 999 CA GLU 64 -8.316 -28.632 31.517 1.00 22.03 ATOM 1000 HA GLU 64 -8.862 -29.391 32.061 1.00 21.34 ATOM 1001 CB GLU 64 -7.438 -29.320 30.459 1.00 33.11 ATOM 1002 HB1 GLU 64 -6.664 -29.883 30.962 1.00 37.53 ATOM 1003 HB2 GLU 64 -6.975 -28.560 29.845 1.00 11.34 ATOM 1004 CG GLU 64 -8.205 -30.276 29.543 1.00 2.45 ATOM 1005 HG1 GLU 64 -9.002 -29.726 29.060 1.00 37.53 ATOM 1006 HG2 GLU 64 -8.632 -31.062 30.145 1.00 23.42 ATOM 1007 CD GLU 64 -7.333 -30.913 28.470 1.00 60.41 ATOM 1008 OE1 GLU 64 -7.757 -30.961 27.295 1.00 21.53 ATOM 1009 OE2 GLU 64 -6.213 -31.369 28.795 1.00 10.33 ATOM 1010 C GLU 64 -7.427 -27.860 32.506 1.00 44.03 ATOM 1011 O GLU 64 -6.466 -28.411 33.045 1.00 24.43 ATOM 1012 N ARG 65 -7.752 -26.584 32.738 1.00 31.12 ATOM 1013 HN ARG 65 -8.534 -26.207 32.281 1.00 37.53 ATOM 1014 CA ARG 65 -6.983 -25.725 33.656 1.00 71.15 ATOM 1015 HA ARG 65 -7.462 -24.757 33.665 1.00 24.32 ATOM 1016 CB ARG 65 -7.018 -26.302 35.084 1.00 21.21 ATOM 1017 HB1 ARG 65 -6.337 -25.737 35.706 1.00 37.53 ATOM 1018 HB2 ARG 65 -6.685 -27.331 35.050 1.00 65.52 ATOM 1019 CG ARG 65 -8.401 -26.269 35.733 1.00 54.20 ATOM 1020 HG1 ARG 65 -8.348 -26.761 36.695 1.00 37.53 ATOM 1021 HG2 ARG 65 -9.101 -26.795 35.099 1.00 42.12 ATOM 1022 CD ARG 65 -8.897 -24.838 35.936 1.00 63.05 ATOM 1023 HD1 ARG 65 -8.962 -24.351 34.972 1.00 37.53 ATOM 1024 HD2 ARG 65 -8.184 -24.311 36.555 1.00 40.54 ATOM 1025 NE ARG 65 -10.209 -24.790 36.581 1.00 4.31 ATOM 1026 HE ARG 65 -10.848 -25.496 36.363 1.00 23.13 ATOM 1027 CZ ARG 65 -10.573 -23.863 37.428 1.00 75.40 ATOM 1028 NH1 ARG 65 -9.763 -22.902 37.740 1.00 64.03 ATOM 1029 HH11 ARG 65 -8.853 -22.862 37.332 1.00 1.23 ATOM 1030 HH12 ARG 65 -10.048 -22.204 38.396 1.00 55.24 ATOM 1031 NH2 ARG 65 -11.750 -23.901 37.961 1.00 65.22 ATOM 1032 HH21 ARG 65 -12.381 -24.635 37.727 1.00 44.24 ATOM 1033 HH22 ARG 65 -12.026 -23.191 38.608 1.00 1.13 ATOM 1034 C ARG 65 -5.526 -25.532 33.191 1.00 23.41 ATOM 1035 O ARG 65 -4.631 -25.279 34.004 1.00 33.01 ATOM 1036 N ARG 66 -5.293 -25.637 31.883 1.00 13.53 ATOM 1037 HN ARG 66 -6.033 -25.868 31.286 1.00 37.53 ATOM 1038 CA ARG 66 -3.957 -25.416 31.314 1.00 13.02 ATOM 1039 HA ARG 66 -3.260 -26.042 31.851 1.00 54.21 ATOM 1040 CB ARG 66 -3.927 -25.798 29.826 1.00 33.23 ATOM 1041 HB1 ARG 66 -2.927 -25.632 29.447 1.00 37.53 ATOM 1042 HB2 ARG 66 -4.610 -25.153 29.291 1.00 21.33 ATOM 1043 CG ARG 66 -4.313 -27.244 29.532 1.00 1.15 ATOM 1044 HG1 ARG 66 -5.308 -27.426 29.915 1.00 37.53 ATOM 1045 HG2 ARG 66 -3.610 -27.902 30.023 1.00 31.03 ATOM 1046 CD ARG 66 -4.298 -27.532 28.032 1.00 21.30 ATOM 1047 HD1 ARG 66 -3.301 -27.353 27.653 1.00 37.53 ATOM 1048 HD2 ARG 66 -4.991 -26.864 27.542 1.00 54.00 ATOM 1049 NE ARG 66 -4.679 -28.908 27.733 1.00 5.41 ATOM 1050 HE ARG 66 -4.944 -29.477 28.479 1.00 51.00 ATOM 1051 CZ ARG 66 -4.667 -29.426 26.536 1.00 62.15 ATOM 1052 NH1 ARG 66 -4.396 -28.702 25.498 1.00 24.23 ATOM 1053 HH11 ARG 66 -4.197 -27.725 25.601 1.00 2.34 ATOM 1054 HH12 ARG 66 -4.387 -29.115 24.595 1.00 44.14 ATOM 1055 NH2 ARG 66 -4.970 -30.668 26.375 1.00 53.10 ATOM 1056 HH21 ARG 66 -5.218 -31.222 27.165 1.00 2.15 ATOM 1057 HH22 ARG 66 -4.943 -31.071 25.463 1.00 22.14 ATOM 1058 C ARG 66 -3.527 -23.949 31.459 1.00 74.22 ATOM 1059 O ARG 66 -4.201 -23.043 30.964 1.00 41.15 ATOM 1060 N VAL 67 -2.408 -23.718 32.138 1.00 11.10 ATOM 1061 HN VAL 67 -1.938 -24.472 32.552 1.00 37.53 ATOM 1062 CA VAL 67 -1.857 -22.368 32.279 1.00 11.24 ATOM 1063 HA VAL 67 -2.663 -21.708 32.572 1.00 42.12 ATOM 1064 CB VAL 67 -0.757 -22.316 33.371 1.00 2.11 ATOM 1065 HB VAL 67 0.069 -22.936 33.045 1.00 12.20 ATOM 1066 CG1 VAL 67 -0.233 -20.890 33.557 1.00 53.41 ATOM 1067 HG11 VAL 67 0.541 -20.885 34.312 1.00 21.34 ATOM 1068 HG12 VAL 67 -1.041 -20.244 33.868 1.00 1.33 ATOM 1069 HG13 VAL 67 0.175 -20.529 32.623 1.00 2.41 ATOM 1070 CG2 VAL 67 -1.279 -22.881 34.694 1.00 63.55 ATOM 1071 HG21 VAL 67 -1.566 -23.914 34.558 1.00 75.23 ATOM 1072 HG22 VAL 67 -2.137 -22.310 35.018 1.00 75.42 ATOM 1073 HG23 VAL 67 -0.503 -22.821 35.445 1.00 64.54 ATOM 1074 C VAL 67 -1.270 -21.879 30.945 1.00 24.25 ATOM 1075 O VAL 67 -1.504 -20.743 30.526 1.00 14.03 ATOM 1076 N HIS 68 -0.515 -22.756 30.279 1.00 65.20 ATOM 1077 HN HIS 68 -0.362 -23.642 30.673 1.00 37.53 ATOM 1078 CA HIS 68 0.086 -22.438 28.979 1.00 41.23 ATOM 1079 HA HIS 68 -0.053 -21.380 28.803 1.00 14.42 ATOM 1080 CB HIS 68 1.595 -22.739 28.990 1.00 1.02 ATOM 1081 HB1 HIS 68 2.059 -22.173 29.786 1.00 37.53 ATOM 1082 HB2 HIS 68 2.022 -22.429 28.047 1.00 72.12 ATOM 1083 CG HIS 68 1.941 -24.186 29.191 1.00 61.10 ATOM 1084 ND1 HIS 68 2.172 -24.742 30.428 1.00 40.31 ATOM 1085 HD1 HIS 68 2.111 -24.272 31.287 1.00 33.11 ATOM 1086 CD2 HIS 68 2.118 -25.189 28.296 1.00 72.10 ATOM 1087 HD2 HIS 68 2.011 -25.117 27.222 1.00 2.34 ATOM 1088 CE1 HIS 68 2.478 -26.016 30.290 1.00 44.43 ATOM 1089 HE1 HIS 68 2.710 -26.702 31.092 1.00 13.13 ATOM 1090 NE2 HIS 68 2.453 -26.312 29.008 1.00 41.23 ATOM 1091 HE2 HIS 68 2.531 -27.218 28.637 1.00 37.53 ATOM 1092 C HIS 68 -0.600 -23.211 27.839 1.00 55.12 ATOM 1093 O HIS 68 -0.822 -24.420 27.936 1.00 4.54 ATOM 1094 N VAL 69 -0.925 -22.501 26.764 1.00 75.32 ATOM 1095 HN VAL 69 -0.745 -21.540 26.762 1.00 37.53 ATOM 1096 CA VAL 69 -1.550 -23.107 25.583 1.00 10.25 ATOM 1097 HA VAL 69 -2.310 -23.800 25.925 1.00 13.20 ATOM 1098 CB VAL 69 -2.237 -22.025 24.708 1.00 61.34 ATOM 1099 HB VAL 69 -1.475 -21.341 24.353 1.00 20.04 ATOM 1100 CG1 VAL 69 -2.918 -22.649 23.491 1.00 43.21 ATOM 1101 HG11 VAL 69 -3.703 -23.316 23.819 1.00 12.41 ATOM 1102 HG12 VAL 69 -2.192 -23.206 22.916 1.00 14.31 ATOM 1103 HG13 VAL 69 -3.342 -21.870 22.873 1.00 62.24 ATOM 1104 CG2 VAL 69 -3.240 -21.226 25.540 1.00 43.54 ATOM 1105 HG21 VAL 69 -3.693 -20.460 24.925 1.00 32.50 ATOM 1106 HG22 VAL 69 -2.732 -20.762 26.373 1.00 52.31 ATOM 1107 HG23 VAL 69 -4.009 -21.888 25.912 1.00 72.12 ATOM 1108 C VAL 69 -0.517 -23.875 24.738 1.00 15.31 ATOM 1109 O VAL 69 0.604 -23.401 24.519 1.00 64.33 ATOM 1110 N THR 70 -0.893 -25.065 24.273 1.00 42.21 ATOM 1111 HN THR 70 -1.799 -25.389 24.476 1.00 37.53 ATOM 1112 CA THR 70 -0.003 -25.899 23.452 1.00 15.42 ATOM 1113 HA THR 70 0.991 -25.475 23.493 1.00 0.13 ATOM 1114 CB THR 70 0.065 -27.359 23.969 1.00 74.14 ATOM 1115 HB THR 70 0.901 -27.856 23.493 1.00 11.42 ATOM 1116 OG1 THR 70 -1.141 -28.064 23.639 1.00 5.10 ATOM 1117 HG1 THR 70 -1.890 -27.641 24.079 1.00 5.23 ATOM 1118 CG2 THR 70 0.274 -27.396 25.479 1.00 13.14 ATOM 1119 HG21 THR 70 1.210 -26.916 25.728 1.00 74.51 ATOM 1120 HG22 THR 70 0.296 -28.422 25.816 1.00 5.23 ATOM 1121 HG23 THR 70 -0.538 -26.876 25.968 1.00 53.23 ATOM 1122 C THR 70 -0.467 -25.926 21.993 1.00 32.13 ATOM 1123 O THR 70 -1.488 -25.334 21.644 1.00 13.23 ATOM 1124 N GLN 71 0.286 -26.615 21.137 1.00 73.02 ATOM 1125 HN GLN 71 1.107 -27.044 21.456 1.00 37.53 ATOM 1126 CA GLN 71 -0.088 -26.748 19.726 1.00 11.14 ATOM 1127 HA GLN 71 -0.193 -25.755 19.315 1.00 14.13 ATOM 1128 CB GLN 71 1.009 -27.494 18.957 1.00 33.44 ATOM 1129 HB1 GLN 71 1.028 -28.525 19.282 1.00 37.53 ATOM 1130 HB2 GLN 71 1.964 -27.038 19.183 1.00 42.32 ATOM 1131 CG GLN 71 0.809 -27.469 17.449 1.00 62.22 ATOM 1132 HG1 GLN 71 0.895 -26.446 17.107 1.00 37.53 ATOM 1133 HG2 GLN 71 -0.182 -27.835 17.225 1.00 2.13 ATOM 1134 CD GLN 71 1.811 -28.319 16.696 1.00 14.32 ATOM 1135 OE1 GLN 71 2.286 -29.334 17.187 1.00 61.10 ATOM 1136 NE2 GLN 71 2.152 -27.904 15.497 1.00 44.33 ATOM 1137 HE21 GLN 71 1.748 -27.079 15.160 1.00 63.01 ATOM 1138 HE22 GLN 71 2.798 -28.439 14.993 1.00 44.14 ATOM 1139 C GLN 71 -1.426 -27.492 19.582 1.00 60.24 ATOM 1140 O GLN 71 -2.220 -27.207 18.680 1.00 13.11 ATOM 1141 N GLU 72 -1.665 -28.431 20.496 1.00 33.43 ATOM 1142 HN GLU 72 -0.999 -28.581 21.200 1.00 37.53 ATOM 1143 CA GLU 72 -2.885 -29.244 20.496 1.00 32.41 ATOM 1144 HA GLU 72 -2.905 -29.806 19.574 1.00 15.32 ATOM 1145 CB GLU 72 -2.844 -30.226 21.670 1.00 14.41 ATOM 1146 HB1 GLU 72 -2.680 -29.669 22.583 1.00 37.53 ATOM 1147 HB2 GLU 72 -2.014 -30.902 21.521 1.00 73.12 ATOM 1148 CG GLU 72 -4.110 -31.059 21.838 1.00 62.43 ATOM 1149 HG1 GLU 72 -4.314 -31.573 20.909 1.00 37.53 ATOM 1150 HG2 GLU 72 -4.935 -30.398 22.070 1.00 23.00 ATOM 1151 CD GLU 72 -3.982 -32.083 22.950 1.00 63.44 ATOM 1152 OE1 GLU 72 -3.921 -33.293 22.652 1.00 43.13 ATOM 1153 OE2 GLU 72 -3.920 -31.683 24.129 1.00 51.01 ATOM 1154 C GLU 72 -4.154 -28.384 20.571 1.00 32.45 ATOM 1155 O GLU 72 -5.112 -28.606 19.826 1.00 23.21 ATOM 1156 N ASP 73 -4.153 -27.406 21.471 1.00 22.42 ATOM 1157 HN ASP 73 -3.361 -27.278 22.037 1.00 37.53 ATOM 1158 CA ASP 73 -5.300 -26.514 21.646 1.00 45.22 ATOM 1159 HA ASP 73 -6.128 -27.110 22.002 1.00 54.12 ATOM 1160 CB ASP 73 -4.969 -25.443 22.691 1.00 31.14 ATOM 1161 HB1 ASP 73 -5.839 -24.819 22.844 1.00 37.53 ATOM 1162 HB2 ASP 73 -4.156 -24.832 22.326 1.00 62.31 ATOM 1163 CG ASP 73 -4.559 -26.040 24.029 1.00 41.33 ATOM 1164 OD1 ASP 73 -3.396 -26.478 24.158 1.00 1.40 ATOM 1165 OD2 ASP 73 -5.391 -26.082 24.952 1.00 44.11 ATOM 1166 C ASP 73 -5.703 -25.848 20.314 1.00 51.43 ATOM 1167 O ASP 73 -6.886 -25.782 19.970 1.00 10.12 ATOM 1168 N PHE 74 -4.705 -25.372 19.564 1.00 11.42 ATOM 1169 HN PHE 74 -3.784 -25.466 19.887 1.00 37.53 ATOM 1170 CA PHE 74 -4.945 -24.707 18.277 1.00 21.13 ATOM 1171 HA PHE 74 -5.668 -23.921 18.448 1.00 4.24 ATOM 1172 CB PHE 74 -3.648 -24.075 17.753 1.00 12.41 ATOM 1173 HB1 PHE 74 -3.819 -23.693 16.756 1.00 37.53 ATOM 1174 HB2 PHE 74 -2.880 -24.834 17.710 1.00 3.14 ATOM 1175 CG PHE 74 -3.129 -22.939 18.602 1.00 3.33 ATOM 1176 CD1 PHE 74 -2.065 -23.130 19.472 1.00 31.40 ATOM 1177 HD1 PHE 74 -1.611 -24.107 19.546 1.00 62.04 ATOM 1178 CD2 PHE 74 -3.700 -21.675 18.519 1.00 14.43 ATOM 1179 HD2 PHE 74 -4.530 -21.511 17.847 1.00 12.41 ATOM 1180 CE1 PHE 74 -1.585 -22.091 20.244 1.00 31.04 ATOM 1181 HE1 PHE 74 -0.755 -22.254 20.917 1.00 74.20 ATOM 1182 CE2 PHE 74 -3.223 -20.631 19.292 1.00 32.53 ATOM 1183 HE2 PHE 74 -3.676 -19.653 19.218 1.00 5.14 ATOM 1184 CZ PHE 74 -2.162 -20.839 20.152 1.00 25.04 ATOM 1185 HZ PHE 74 -1.786 -20.025 20.755 1.00 30.43 ATOM 1186 C PHE 74 -5.519 -25.673 17.222 1.00 71.43 ATOM 1187 O PHE 74 -6.583 -25.421 16.655 1.00 23.21 ATOM 1188 N GLU 75 -4.821 -26.780 16.965 1.00 30.13 ATOM 1189 HN GLU 75 -4.001 -26.959 17.475 1.00 37.53 ATOM 1190 CA GLU 75 -5.259 -27.742 15.936 1.00 31.11 ATOM 1191 HA GLU 75 -5.333 -27.194 15.004 1.00 52.11 ATOM 1192 CB GLU 75 -4.221 -28.864 15.752 1.00 73.54 ATOM 1193 HB1 GLU 75 -3.321 -28.435 15.333 1.00 37.53 ATOM 1194 HB2 GLU 75 -4.616 -29.590 15.056 1.00 55.33 ATOM 1195 CG GLU 75 -3.847 -29.594 17.036 1.00 50.21 ATOM 1196 HG1 GLU 75 -4.721 -30.109 17.413 1.00 37.53 ATOM 1197 HG2 GLU 75 -3.521 -28.867 17.767 1.00 53.34 ATOM 1198 CD GLU 75 -2.732 -30.607 16.830 1.00 11.22 ATOM 1199 OE1 GLU 75 -3.036 -31.794 16.597 1.00 42.23 ATOM 1200 OE2 GLU 75 -1.542 -30.219 16.890 1.00 44.14 ATOM 1201 C GLU 75 -6.648 -28.326 16.251 1.00 41.13 ATOM 1202 O GLU 75 -7.445 -28.579 15.343 1.00 14.41 ATOM 1203 N MET 76 -6.942 -28.522 17.537 1.00 35.55 ATOM 1204 HN MET 76 -6.246 -28.376 18.215 1.00 37.53 ATOM 1205 CA MET 76 -8.278 -28.958 17.963 1.00 63.34 ATOM 1206 HA MET 76 -8.545 -29.823 17.371 1.00 51.04 ATOM 1207 CB MET 76 -8.269 -29.357 19.444 1.00 41.21 ATOM 1208 HB1 MET 76 -9.288 -29.478 19.780 1.00 37.53 ATOM 1209 HB2 MET 76 -7.804 -28.566 20.016 1.00 3.43 ATOM 1210 CG MET 76 -7.518 -30.653 19.724 1.00 14.14 ATOM 1211 HG1 MET 76 -7.589 -30.877 20.779 1.00 37.53 ATOM 1212 HG2 MET 76 -6.479 -30.518 19.457 1.00 32.33 ATOM 1213 SD MET 76 -8.180 -32.050 18.790 1.00 53.34 ATOM 1214 CE MET 76 -9.883 -32.065 19.347 1.00 75.14 ATOM 1215 HE1 MET 76 -10.415 -32.863 18.853 1.00 44.32 ATOM 1216 HE2 MET 76 -10.349 -31.118 19.109 1.00 2.24 ATOM 1217 HE3 MET 76 -9.912 -32.220 20.415 1.00 62.44 ATOM 1218 C MET 76 -9.324 -27.858 17.716 1.00 12.04 ATOM 1219 O MET 76 -10.473 -28.137 17.364 1.00 50.24 ATOM 1220 N ALA 77 -8.921 -26.604 17.909 1.00 30.14 ATOM 1221 HN ALA 77 -8.019 -26.442 18.263 1.00 37.53 ATOM 1222 CA ALA 77 -9.788 -25.460 17.614 1.00 0.45 ATOM 1223 HA ALA 77 -10.701 -25.582 18.184 1.00 63.45 ATOM 1224 CB ALA 77 -9.123 -24.163 18.060 1.00 65.23 ATOM 1225 HB1 ALA 77 -9.775 -23.328 17.846 1.00 4.32 ATOM 1226 HB2 ALA 77 -8.189 -24.035 17.531 1.00 34.14 ATOM 1227 HB3 ALA 77 -8.930 -24.203 19.123 1.00 12.34 ATOM 1228 C ALA 77 -10.142 -25.406 16.119 1.00 54.34 ATOM 1229 O ALA 77 -11.304 -25.219 15.755 1.00 22.14 ATOM 1230 N VAL 78 -9.136 -25.603 15.262 1.00 55.21 ATOM 1231 HN VAL 78 -8.231 -25.738 15.617 1.00 37.53 ATOM 1232 CA VAL 78 -9.339 -25.610 13.803 1.00 5.14 ATOM 1233 HA VAL 78 -9.637 -24.613 13.506 1.00 34.15 ATOM 1234 CB VAL 78 -8.033 -25.974 13.047 1.00 73.12 ATOM 1235 HB VAL 78 -7.723 -26.962 13.365 1.00 14.15 ATOM 1236 CG1 VAL 78 -8.269 -26.016 11.535 1.00 24.34 ATOM 1237 HG11 VAL 78 -9.018 -26.761 11.306 1.00 42.34 ATOM 1238 HG12 VAL 78 -7.346 -26.270 11.032 1.00 74.33 ATOM 1239 HG13 VAL 78 -8.609 -25.048 11.195 1.00 2.24 ATOM 1240 CG2 VAL 78 -6.916 -24.993 13.393 1.00 42.43 ATOM 1241 HG21 VAL 78 -7.210 -23.993 13.108 1.00 34.10 ATOM 1242 HG22 VAL 78 -6.014 -25.267 12.863 1.00 4.31 ATOM 1243 HG23 VAL 78 -6.727 -25.020 14.457 1.00 52.40 ATOM 1244 C VAL 78 -10.441 -26.601 13.392 1.00 75.21 ATOM 1245 O VAL 78 -11.351 -26.257 12.629 1.00 5.44 ATOM 1246 N ALA 79 -10.355 -27.826 13.910 1.00 51.23 ATOM 1247 HN ALA 79 -9.594 -28.042 14.491 1.00 37.53 ATOM 1248 CA ALA 79 -11.358 -28.861 13.633 1.00 44.32 ATOM 1249 HA ALA 79 -11.362 -29.044 12.566 1.00 2.44 ATOM 1250 CB ALA 79 -10.976 -30.163 14.333 1.00 2.54 ATOM 1251 HB1 ALA 79 -9.979 -30.456 14.033 1.00 74.02 ATOM 1252 HB2 ALA 79 -11.675 -30.938 14.058 1.00 73.21 ATOM 1253 HB3 ALA 79 -11.001 -30.019 15.404 1.00 35.33 ATOM 1254 C ALA 79 -12.767 -28.418 14.062 1.00 41.02 ATOM 1255 O ALA 79 -13.744 -28.635 13.342 1.00 53.24 ATOM 1256 N LYS 80 -12.865 -27.783 15.231 1.00 14.50 ATOM 1257 HN LYS 80 -12.053 -27.631 15.762 1.00 37.53 ATOM 1258 CA LYS 80 -14.157 -27.316 15.748 1.00 2.52 ATOM 1259 HA LYS 80 -14.860 -28.133 15.653 1.00 64.34 ATOM 1260 CB LYS 80 -14.039 -26.942 17.235 1.00 71.12 ATOM 1261 HB1 LYS 80 -13.426 -26.056 17.324 1.00 37.53 ATOM 1262 HB2 LYS 80 -13.558 -27.756 17.763 1.00 34.01 ATOM 1263 CG LYS 80 -15.388 -26.663 17.900 1.00 62.23 ATOM 1264 HG1 LYS 80 -16.003 -27.551 17.827 1.00 37.53 ATOM 1265 HG2 LYS 80 -15.872 -25.852 17.376 1.00 70.02 ATOM 1266 CD LYS 80 -15.251 -26.278 19.372 1.00 25.23 ATOM 1267 HD1 LYS 80 -14.706 -27.057 19.888 1.00 37.53 ATOM 1268 HD2 LYS 80 -16.238 -26.187 19.802 1.00 54.13 ATOM 1269 CE LYS 80 -14.513 -24.956 19.553 1.00 51.40 ATOM 1270 HE1 LYS 80 -14.980 -24.207 18.929 1.00 37.53 ATOM 1271 HE2 LYS 80 -13.485 -25.086 19.249 1.00 34.30 ATOM 1272 NZ LYS 80 -14.540 -24.494 20.965 1.00 23.43 ATOM 1273 HZ1 LYS 80 -15.523 -24.430 21.302 1.00 62.45 ATOM 1274 HZ2 LYS 80 -14.102 -23.554 21.042 1.00 15.12 ATOM 1275 HZ3 LYS 80 -14.021 -25.157 21.572 1.00 64.11 ATOM 1276 C LYS 80 -14.693 -26.115 14.944 1.00 64.25 ATOM 1277 O LYS 80 -15.898 -25.864 14.915 1.00 31.54 ATOM 1278 N VAL 81 -13.793 -25.369 14.303 1.00 43.12 ATOM 1279 HN VAL 81 -12.842 -25.600 14.379 1.00 37.53 ATOM 1280 CA VAL 81 -14.187 -24.206 13.493 1.00 34.23 ATOM 1281 HA VAL 81 -15.015 -23.720 13.995 1.00 64.20 ATOM 1282 CB VAL 81 -13.029 -23.175 13.373 1.00 54.32 ATOM 1283 HB VAL 81 -12.172 -23.679 12.948 1.00 43.40 ATOM 1284 CG1 VAL 81 -13.412 -22.022 12.442 1.00 24.52 ATOM 1285 HG11 VAL 81 -14.278 -21.511 12.837 1.00 53.35 ATOM 1286 HG12 VAL 81 -13.641 -22.409 11.460 1.00 53.02 ATOM 1287 HG13 VAL 81 -12.588 -21.327 12.370 1.00 31.41 ATOM 1288 CG2 VAL 81 -12.633 -22.641 14.750 1.00 51.23 ATOM 1289 HG21 VAL 81 -11.823 -21.933 14.644 1.00 34.34 ATOM 1290 HG22 VAL 81 -12.311 -23.460 15.377 1.00 62.45 ATOM 1291 HG23 VAL 81 -13.480 -22.152 15.206 1.00 64.33 ATOM 1292 C VAL 81 -14.644 -24.619 12.081 1.00 12.14 ATOM 1293 O VAL 81 -15.798 -24.400 11.704 1.00 52.04 ATOM 1294 N MET 82 -13.739 -25.223 11.306 1.00 63.12 ATOM 1295 HN MET 82 -12.862 -25.448 11.683 1.00 37.53 ATOM 1296 CA MET 82 -14.032 -25.571 9.906 1.00 31.03 ATOM 1297 HA MET 82 -14.474 -24.698 9.444 1.00 34.31 ATOM 1298 CB MET 82 -12.740 -25.917 9.156 1.00 14.12 ATOM 1299 HB1 MET 82 -12.985 -26.162 8.132 1.00 37.53 ATOM 1300 HB2 MET 82 -12.282 -26.778 9.624 1.00 61.33 ATOM 1301 CG MET 82 -11.722 -24.784 9.143 1.00 54.44 ATOM 1302 HG1 MET 82 -11.317 -24.670 10.138 1.00 37.53 ATOM 1303 HG2 MET 82 -12.222 -23.871 8.854 1.00 33.52 ATOM 1304 SD MET 82 -10.362 -25.084 7.994 1.00 54.54 ATOM 1305 CE MET 82 -11.222 -25.002 6.422 1.00 20.12 ATOM 1306 HE1 MET 82 -10.524 -25.198 5.622 1.00 55.15 ATOM 1307 HE2 MET 82 -11.649 -24.017 6.295 1.00 42.52 ATOM 1308 HE3 MET 82 -12.010 -25.741 6.400 1.00 22.42 ATOM 1309 C MET 82 -15.034 -26.732 9.798 1.00 63.33 ATOM 1310 O MET 82 -15.811 -26.797 8.846 1.00 14.40 ATOM 1311 N GLN 83 -15.002 -27.646 10.775 1.00 53.04 ATOM 1312 HN GLN 83 -14.305 -27.579 11.463 1.00 37.53 ATOM 1313 CA GLN 83 -15.983 -28.743 10.860 1.00 4.22 ATOM 1314 HA GLN 83 -15.666 -29.397 11.661 1.00 12.41 ATOM 1315 CB GLN 83 -17.366 -28.173 11.214 1.00 51.44 ATOM 1316 HB1 GLN 83 -18.079 -28.986 11.272 1.00 37.53 ATOM 1317 HB2 GLN 83 -17.672 -27.493 10.432 1.00 51.52 ATOM 1318 CG GLN 83 -17.388 -27.422 12.538 1.00 35.45 ATOM 1319 HG1 GLN 83 -16.529 -26.765 12.578 1.00 37.53 ATOM 1320 HG2 GLN 83 -17.325 -28.138 13.345 1.00 11.23 ATOM 1321 CD GLN 83 -18.643 -26.591 12.727 1.00 52.05 ATOM 1322 OE1 GLN 83 -19.648 -27.067 13.241 1.00 31.05 ATOM 1323 NE2 GLN 83 -18.589 -25.334 12.337 1.00 5.22 ATOM 1324 HE21 GLN 83 -17.748 -25.003 11.951 1.00 53.24 ATOM 1325 HE22 GLN 83 -19.389 -24.782 12.451 1.00 34.11 ATOM 1326 C GLN 83 -16.061 -29.570 9.562 1.00 2.20 ATOM 1327 O GLN 83 -17.044 -29.499 8.822 1.00 33.43 ATOM 1328 N LYS 84 -15.016 -30.342 9.284 1.00 31.21 ATOM 1329 HN LYS 84 -14.257 -30.355 9.903 1.00 37.53 ATOM 1330 CA LYS 84 -14.975 -31.181 8.083 1.00 35.33 ATOM 1331 HA LYS 84 -15.639 -30.740 7.352 1.00 1.23 ATOM 1332 CB LYS 84 -13.551 -31.208 7.500 1.00 44.54 ATOM 1333 HB1 LYS 84 -12.879 -31.616 8.243 1.00 37.53 ATOM 1334 HB2 LYS 84 -13.247 -30.194 7.275 1.00 65.32 ATOM 1335 CG LYS 84 -13.418 -32.041 6.227 1.00 70.11 ATOM 1336 HG1 LYS 84 -13.563 -33.083 6.475 1.00 37.53 ATOM 1337 HG2 LYS 84 -12.428 -31.903 5.819 1.00 44.25 ATOM 1338 CD LYS 84 -14.447 -31.635 5.174 1.00 71.11 ATOM 1339 HD1 LYS 84 -14.270 -30.606 4.890 1.00 37.53 ATOM 1340 HD2 LYS 84 -15.437 -31.724 5.599 1.00 25.44 ATOM 1341 CE LYS 84 -14.369 -32.513 3.929 1.00 32.10 ATOM 1342 HE1 LYS 84 -14.314 -33.548 4.234 1.00 37.53 ATOM 1343 HE2 LYS 84 -13.479 -32.256 3.371 1.00 5.00 ATOM 1344 NZ LYS 84 -15.553 -32.331 3.055 1.00 22.50 ATOM 1345 HZ1 LYS 84 -16.415 -32.618 3.560 1.00 22.35 ATOM 1346 HZ2 LYS 84 -15.459 -32.910 2.196 1.00 4.43 ATOM 1347 HZ3 LYS 84 -15.646 -31.333 2.776 1.00 43.43 ATOM 1348 C LYS 84 -15.466 -32.609 8.390 1.00 41.30 ATOM 1349 O LYS 84 -15.122 -33.189 9.419 1.00 41.12 ATOM 1350 N ASP 85 -16.262 -33.168 7.479 1.00 43.30 ATOM 1351 HN ASP 85 -16.449 -32.678 6.649 1.00 37.53 ATOM 1352 CA ASP 85 -16.890 -34.482 7.676 1.00 51.42 ATOM 1353 HA ASP 85 -17.189 -34.551 8.712 1.00 2.42 ATOM 1354 CB ASP 85 -18.146 -34.571 6.799 1.00 41.20 ATOM 1355 HB1 ASP 85 -18.839 -33.797 7.099 1.00 37.53 ATOM 1356 HB2 ASP 85 -18.611 -35.536 6.946 1.00 24.43 ATOM 1357 CG ASP 85 -17.843 -34.397 5.318 1.00 52.52 ATOM 1358 OD1 ASP 85 -17.923 -35.388 4.564 1.00 1.43 ATOM 1359 OD2 ASP 85 -17.521 -33.266 4.896 1.00 75.22 ATOM 1360 C ASP 85 -15.939 -35.660 7.365 1.00 42.24 ATOM 1361 O ASP 85 -16.386 -36.798 7.203 1.00 13.45 ATOM 1362 N SER 86 -14.635 -35.392 7.304 1.00 71.14 ATOM 1363 HN SER 86 -14.328 -34.483 7.485 1.00 37.53 ATOM 1364 HA SER 86 -14.121 -37.158 6.342 1.00 4.21 ATOM 1365 CB SER 86 -12.454 -35.818 6.220 1.00 55.20 ATOM 1366 HB1 SER 86 -12.807 -35.407 5.286 1.00 37.53 ATOM 1367 HB2 SER 86 -11.721 -36.585 6.019 1.00 62.32 ATOM 1368 OG SER 86 -11.835 -34.781 6.969 1.00 14.11 ATOM 1369 HG SER 86 -11.542 -35.135 7.820 1.00 23.33 ATOM 1370 CA SER 86 -13.639 -36.434 6.985 1.00 0.33 ATOM 1371 C SER 86 -13.135 -37.164 8.250 1.00 10.41 ATOM 1372 OT1 SER 86 -12.041 -36.823 8.758 1.00 37.53 ATOM 1373 OT2 SER 86 -13.834 -38.087 8.729 1.00 37.53 ATOM 1374 OH2 TIP3 1 -22.782 -41.448 4.216 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -23.493 -42.088 4.283 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -23.014 -40.913 3.425 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.616 -35.366 3.006 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -15.392 -36.318 2.940 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.451 -35.356 3.516 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -20.647 -28.993 2.999 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -21.587 -28.828 2.866 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -20.530 -29.939 2.744 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.154 -33.239 2.193 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.520 -34.120 1.941 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.044 -33.299 3.170 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -20.256 -41.624 5.287 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -21.185 -41.520 4.988 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -19.727 -41.515 4.468 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -15.845 -44.990 6.020 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.425 -45.736 5.848 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.149 -44.644 6.895 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -22.169 -35.725 2.913 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -22.796 -35.656 3.654 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -22.005 -34.808 2.658 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.269 -28.964 0.765 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.463 -29.843 0.374 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.298 -28.856 0.642 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -20.426 -31.653 2.393 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -19.578 -32.098 2.209 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -20.820 -32.183 3.114 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -14.587 -40.369 4.986 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -13.615 -40.432 5.110 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -14.931 -40.210 5.892 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -15.483 -38.125 3.522 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -14.986 -38.918 3.798 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -16.313 -38.177 4.034 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -25.142 -31.790 5.524 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -25.359 -31.535 6.448 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -26.002 -31.901 5.102 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -15.365 -39.997 7.562 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -14.884 -39.240 7.976 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -16.311 -39.773 7.677 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -16.525 -43.856 8.362 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -17.207 -43.221 8.053 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -15.778 -43.291 8.641 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.135 -42.300 6.794 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -17.526 -42.404 6.033 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -19.024 -42.200 6.376 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -18.122 -39.658 7.457 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -18.302 -39.271 6.578 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -18.257 -40.623 7.325 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -17.631 -38.009 5.229 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.091 -37.767 6.007 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -17.926 -37.144 4.869 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -23.618 -34.143 4.970 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -24.168 -33.350 5.137 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -22.720 -33.783 4.822 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -19.461 -35.612 2.353 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.348 -35.887 2.640 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.903 -35.719 3.157 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -23.778 -29.322 5.424 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -22.961 -29.436 5.959 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -24.104 -30.233 5.286 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -13.365 -44.546 7.221 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -14.154 -44.771 6.695 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -13.617 -43.721 7.690 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -18.343 -41.300 3.346 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.636 -41.827 3.775 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -17.911 -40.476 3.106 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -22.736 -27.576 8.974 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -23.650 -27.238 9.001 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -22.189 -26.802 9.235 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -23.639 -32.671 8.495 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.813 -33.616 8.275 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -22.861 -32.705 9.103 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -24.002 -35.189 7.508 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -23.886 -34.965 6.561 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -23.852 -36.138 7.547 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -21.959 -38.065 1.411 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -21.007 -38.078 1.267 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.115 -37.232 1.903 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -17.650 -37.776 9.369 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -18.011 -38.596 8.978 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -17.282 -37.297 8.607 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.821 -31.551 0.023 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.865 -32.193 0.767 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.689 -31.609 -0.391 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -16.313 -42.532 4.732 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -15.562 -41.899 4.717 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -15.908 -43.381 5.001 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -10.826 -45.390 6.997 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -11.769 -45.119 7.123 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -10.860 -46.345 6.960 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -14.542 -28.653 0.940 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.537 -27.798 1.415 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -13.605 -28.861 0.819 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.020 -33.316 4.499 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -20.202 -33.805 4.666 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -21.133 -32.750 5.305 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -23.196 -26.621 5.782 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -23.580 -27.455 5.446 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -22.333 -26.883 6.125 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -15.099 -32.076 0.480 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -15.912 -31.805 0.015 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -14.377 -31.816 -0.127 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -17.784 -32.687 16.862 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -18.550 -32.753 17.442 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -17.591 -31.719 16.831 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -13.288 -29.863 18.987 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -13.431 -30.412 19.776 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -12.861 -29.048 19.333 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -14.496 -31.173 21.089 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -15.112 -30.589 20.604 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.037 -31.965 21.294 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -15.478 -34.093 17.438 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -14.856 -33.812 16.755 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -16.321 -33.661 17.184 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -14.783 -32.462 14.194 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -14.460 -32.216 13.298 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -15.236 -33.316 14.055 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.825 -32.405 26.742 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -15.556 -32.372 25.800 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.316 -33.140 27.108 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -15.400 -37.362 10.799 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -14.812 -37.603 10.039 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -16.309 -37.515 10.454 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -12.132 -31.951 22.450 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -11.469 -31.937 21.747 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -12.964 -31.675 22.003 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -13.900 -35.473 12.107 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -14.461 -36.012 11.509 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -14.539 -34.951 12.623 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.514 -29.984 16.768 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -18.279 -29.397 16.593 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.962 -29.912 15.947 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -16.285 -34.652 13.501 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -16.688 -35.507 13.316 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -17.048 -34.050 13.639 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -21.234 -32.729 9.731 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -20.512 -32.413 9.179 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -20.799 -32.960 10.585 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -16.656 -31.146 29.035 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.685 -31.875 29.686 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -16.427 -31.592 28.193 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -11.312 -39.519 12.129 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -12.195 -39.207 12.439 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -10.710 -38.775 12.348 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -12.480 -33.939 27.637 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -12.945 -34.204 26.818 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -11.532 -33.982 27.397 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -19.472 -30.381 14.263 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -19.633 -29.893 13.449 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -19.555 -29.708 14.965 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -14.165 -31.936 11.595 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -13.234 -31.918 11.282 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -14.629 -32.480 10.928 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -25.725 -31.005 8.113 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -24.907 -31.523 8.315 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -26.320 -31.215 8.841 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.617 -29.192 7.131 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -22.083 -28.712 7.859 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -20.669 -28.972 7.272 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -19.913 -33.435 11.990 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.261 -34.268 12.318 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -19.308 -33.134 12.698 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -23.952 -27.701 12.502 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -23.835 -27.956 13.449 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -24.008 -28.544 12.035 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -13.729 -26.331 22.909 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -14.537 -26.890 22.959 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.369 -26.354 23.824 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -21.655 -31.883 6.669 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -22.358 -32.174 7.283 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -21.566 -30.922 6.845 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -16.411 -28.463 28.643 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -16.553 -29.399 28.921 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -16.160 -28.006 29.469 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -18.627 -34.529 31.188 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -19.411 -33.978 31.135 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -17.887 -33.915 31.006 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.867 -25.938 12.358 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -21.090 -26.428 12.708 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -22.589 -26.605 12.353 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -13.708 -32.542 29.652 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -13.298 -32.961 28.863 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -12.973 -32.466 30.287 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -9.702 -37.372 12.625 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -9.229 -36.861 13.320 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -10.244 -36.696 12.155 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -14.916 -32.271 24.149 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -15.423 -32.426 23.323 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -14.575 -31.353 24.054 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -11.280 -33.923 24.238 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -11.571 -33.291 23.547 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -12.118 -34.251 24.625 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -11.364 -35.769 11.121 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.223 -35.552 11.552 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -11.628 -36.257 10.296 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -13.625 -38.242 12.673 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.377 -38.220 12.049 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -13.460 -37.306 12.872 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -15.850 -29.990 14.621 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.198 -29.485 14.106 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.536 -30.920 14.554 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -16.125 -29.649 26.165 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -16.299 -30.582 26.379 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -16.328 -29.172 26.995 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -17.467 -28.362 20.971 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -17.004 -28.885 20.281 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -18.049 -27.776 20.475 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -15.907 -27.941 23.142 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -16.485 -28.103 22.359 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -16.503 -28.034 23.898 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -14.093 -29.614 24.395 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -14.439 -28.992 23.725 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -14.765 -29.580 25.117 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -12.149 -30.802 31.971 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -11.615 -30.002 32.151 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -11.683 -31.517 32.453 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -14.287 -29.859 30.646 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -14.646 -30.593 30.117 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -13.501 -30.251 31.094 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -12.247 -31.281 35.104 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -11.348 -31.391 35.470 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -12.317 -31.994 34.441 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -16.502 -36.189 30.649 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -16.558 -37.096 30.960 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -17.378 -35.805 30.868 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -16.760 -25.601 41.375 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -16.929 -25.470 42.315 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -17.644 -25.792 40.996 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -16.145 -33.466 30.451 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -16.056 -34.444 30.468 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -15.232 -33.147 30.267 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -11.623 -27.115 41.182 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -10.796 -27.078 40.677 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -11.845 -28.054 41.205 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.559 -25.975 36.886 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -13.181 -26.724 37.402 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -13.083 -26.017 36.024 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -15.793 -28.289 41.369 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -15.861 -27.321 41.402 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -16.630 -28.573 40.942 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -14.257 -29.505 34.373 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.696 -30.176 34.812 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.340 -29.825 33.467 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -13.083 -15.735 -4.125 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -12.217 -15.715 -3.671 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -12.996 -16.473 -4.770 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -15.506 -15.429 0.754 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -15.255 -16.277 1.186 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -15.069 -15.467 -0.114 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -16.362 -23.797 3.634 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -16.119 -23.771 2.691 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -16.640 -24.730 3.783 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.574 -26.346 2.495 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.470 -26.455 2.891 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -13.972 -26.474 3.236 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -15.229 -16.426 4.237 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -14.300 -16.261 4.516 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -15.146 -16.992 3.449 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.885 -29.978 3.281 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -17.071 -29.510 2.441 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -17.433 -29.505 3.943 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -16.884 -10.885 -1.472 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -17.678 -10.547 -1.898 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -16.765 -11.779 -1.863 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -16.865 -13.350 -2.736 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.291 -13.866 -2.002 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -17.377 -13.588 -3.517 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.732 -22.872 3.940 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -14.653 -23.135 4.131 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -13.697 -21.938 4.172 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -16.970 -13.856 2.751 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -16.445 -14.543 2.298 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -16.842 -14.044 3.707 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -13.865 -14.560 -6.680 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -13.979 -15.475 -6.955 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -13.603 -14.626 -5.743 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.335 -10.171 -0.750 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -15.247 -10.309 -1.093 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.099 -11.042 -0.354 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -24.086 -24.345 6.966 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -23.705 -25.145 6.527 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -24.465 -23.838 6.241 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -19.271 -21.766 13.135 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -20.008 -21.913 12.513 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -19.488 -22.345 13.903 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -12.993 -18.928 3.608 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -12.059 -19.106 3.377 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.947 -18.538 4.489 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -17.061 -26.453 3.632 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.396 -27.054 4.328 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -17.737 -26.525 2.915 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -15.586 -10.425 9.331 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -16.306 -11.094 9.330 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -15.410 -10.266 10.283 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -19.403 -21.597 9.355 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -19.070 -22.478 9.141 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -19.274 -21.084 8.521 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -21.333 -22.153 11.201 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -22.044 -22.485 10.614 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -20.651 -21.816 10.577 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.308 -14.267 5.426 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -16.061 -15.159 5.086 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -16.211 -14.348 6.400 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -7.745 -20.492 -3.612 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -8.537 -20.769 -4.115 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -7.473 -19.652 -4.039 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.449 -14.515 -2.011 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -14.025 -14.977 -2.768 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -15.246 -14.098 -2.403 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -14.776 -17.865 1.863 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -14.053 -18.249 2.418 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.150 -18.627 1.407 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -19.376 -14.041 1.414 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -18.572 -13.859 1.943 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -20.095 -13.978 2.047 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -15.653 -14.524 8.110 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -14.723 -14.833 8.098 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -15.995 -14.861 8.954 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -9.349 -11.318 -3.777 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -9.674 -10.393 -3.839 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -9.777 -11.668 -2.988 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -17.798 -14.758 -0.681 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -17.086 -15.072 -0.094 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -18.543 -14.564 -0.068 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -18.085 -22.063 4.873 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -17.375 -22.655 4.544 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -18.842 -22.276 4.321 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -18.726 -20.473 6.978 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -18.309 -19.644 6.727 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -18.483 -21.094 6.253 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -14.436 -23.800 1.425 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -14.439 -24.772 1.550 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -13.977 -23.459 2.220 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -16.805 -9.893 1.172 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.860 -10.456 0.375 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -16.311 -10.441 1.819 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -11.714 -13.499 8.033 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.284 -14.275 8.223 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -12.298 -12.725 8.191 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -18.857 -16.985 11.821 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -18.142 -16.816 12.470 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -18.700 -17.916 11.527 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -23.247 -23.177 9.382 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -24.135 -23.081 9.786 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -23.436 -23.473 8.467 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -25.078 -21.410 12.332 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -25.472 -22.070 12.944 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -25.291 -21.758 11.445 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -25.649 -28.341 7.283 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -25.795 -29.229 7.661 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -25.085 -28.505 6.506 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -21.522 -25.272 9.725 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -21.554 -25.407 10.694 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -22.066 -24.472 9.579 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -18.544 -28.491 4.914 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -19.382 -28.678 4.444 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -18.806 -28.422 5.856 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -25.181 -26.145 8.802 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -24.901 -25.471 8.151 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -25.522 -26.887 8.248 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -19.069 -28.339 7.653 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -19.070 -27.514 8.156 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -18.313 -28.847 8.032 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -12.586 -21.050 -3.836 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.373 -20.490 -3.843 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -12.939 -21.958 -3.684 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -8.689 -22.035 -0.701 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -8.783 -23.012 -0.681 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -9.595 -21.709 -0.878 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -10.026 -16.173 2.973 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -10.281 -15.777 3.819 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -10.245 -17.114 3.075 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -11.154 -21.117 -1.463 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -11.911 -21.449 -0.922 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -11.560 -20.909 -2.329 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -13.446 -22.341 -0.686 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -13.633 -22.927 -1.439 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.832 -22.812 0.085 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -12.762 -15.707 5.157 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -12.660 -16.085 6.064 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -11.931 -15.202 5.027 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -10.991 -30.035 -2.173 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -10.519 -29.869 -2.993 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -10.424 -29.623 -1.482 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -14.198 -12.780 0.044 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -14.622 -13.259 0.771 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.340 -13.357 -0.737 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -16.224 -9.630 6.743 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -15.785 -10.001 7.530 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -17.179 -9.674 6.963 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.007 -6.072 3.600 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -16.915 -5.378 2.922 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -17.159 -6.877 3.091 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.428 -11.558 2.842 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -14.712 -12.023 3.324 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -16.139 -12.231 2.773 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -11.042 -32.456 0.579 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -11.705 -32.075 -0.029 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -11.371 -33.339 0.761 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.990 -27.082 1.839 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -18.448 -27.673 1.277 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -19.661 -27.674 2.231 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -12.771 -8.917 -2.605 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -13.393 -9.401 -2.016 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -13.331 -8.649 -3.378 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -25.426 -25.593 11.441 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -24.944 -26.304 11.915 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -25.387 -25.870 10.495 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.280 -19.922 16.764 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -18.524 -19.976 16.152 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.056 -19.794 16.173 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -18.794 -20.871 19.258 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -18.970 -20.528 18.345 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -19.462 -21.576 19.381 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.735 -17.345 19.963 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -16.626 -17.634 20.243 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -15.190 -18.168 20.019 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.355 -24.864 20.613 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -18.071 -25.024 21.527 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -17.837 -24.075 20.339 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -14.803 -18.349 24.558 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -14.539 -19.235 24.871 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -15.151 -18.513 23.653 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.363 -32.920 14.191 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -18.071 -33.019 15.121 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -18.711 -31.999 14.150 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.254 -13.803 13.488 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -15.901 -14.540 13.529 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.800 -12.997 13.584 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -16.550 -16.231 13.158 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -15.924 -16.343 12.423 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.251 -16.890 13.835 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -21.205 -19.725 14.857 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -21.736 -20.484 14.546 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -21.149 -19.138 14.075 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -18.614 -19.645 11.258 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -18.826 -20.193 10.480 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -18.706 -20.256 12.009 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -14.590 -18.033 17.512 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -15.147 -17.499 18.104 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.263 -18.750 18.082 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.765 -19.544 22.311 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -16.580 -19.222 21.871 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -15.163 -19.773 21.557 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -17.415 -20.427 14.714 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.174 -20.692 14.149 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -16.818 -21.181 14.671 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -10.381 -16.270 28.246 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -9.698 -15.559 28.197 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -10.445 -16.597 27.332 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -18.499 -10.081 8.224 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -19.323 -9.894 8.684 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -18.277 -10.997 8.490 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -17.206 -10.375 16.260 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -17.774 -10.527 17.051 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -16.310 -10.270 16.633 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -17.165 -24.821 25.587 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -17.352 -24.288 26.387 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -16.556 -25.517 25.906 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -15.611 -20.786 29.652 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -15.491 -19.827 29.796 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -16.066 -20.842 28.791 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -19.663 -28.264 16.183 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -20.578 -27.949 16.126 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -19.134 -27.440 16.239 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -21.450 -23.624 17.402 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -21.053 -23.470 18.289 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -22.208 -23.029 17.378 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -17.500 -22.926 32.528 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -18.067 -22.856 31.729 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -17.781 -22.175 33.088 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -16.880 -22.659 20.136 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.478 -21.962 19.790 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -16.048 -22.174 20.354 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -25.702 -23.801 13.554 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -24.892 -24.039 14.041 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -25.772 -24.486 12.861 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -20.963 -22.630 22.560 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.163 -22.692 23.132 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -21.687 -22.867 23.144 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -18.385 -25.889 15.710 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -17.425 -25.844 15.502 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -18.801 -26.120 14.863 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -22.636 -21.755 13.589 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -22.108 -21.854 12.768 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -23.531 -21.520 13.269 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -24.048 -18.877 12.947 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -24.519 -19.695 12.694 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -23.185 -18.950 12.505 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -20.402 -23.078 19.907 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.805 -23.835 20.083 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -20.708 -22.804 20.803 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -22.106 -26.148 16.167 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -21.737 -25.558 16.849 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -22.510 -25.530 15.517 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -19.112 -20.203 29.025 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -19.488 -19.712 28.257 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -18.766 -19.494 29.613 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.432 -12.485 9.137 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.890 -13.080 8.582 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.791 -13.074 9.837 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -17.069 -20.859 27.255 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.922 -20.630 27.674 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -17.074 -21.838 27.227 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -18.008 -18.827 20.906 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -18.834 -18.779 21.399 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -18.178 -19.519 20.223 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -18.917 -12.781 12.993 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -18.666 -13.366 12.246 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -19.740 -13.159 13.323 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -16.108 -18.286 26.985 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.765 -18.161 26.078 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -16.478 -19.196 26.979 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -15.728 -18.103 14.912 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -15.297 -18.098 15.793 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -16.297 -18.899 14.928 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -16.549 -24.425 22.858 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -16.578 -23.453 22.997 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -16.735 -24.794 23.745 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -19.800 -23.569 15.127 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -20.459 -23.442 15.839 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -19.223 -24.279 15.465 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -18.889 -23.005 24.307 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.479 -23.758 24.771 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -18.138 -22.407 24.115 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -23.078 -24.385 14.293 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -22.841 -23.436 14.199 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -22.641 -24.817 13.528 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -13.165 -26.344 25.575 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -14.009 -26.411 26.077 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -12.553 -25.916 26.196 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -12.827 -14.069 17.846 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -13.167 -14.531 17.057 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -13.396 -14.394 18.579 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.040 -14.480 11.000 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -17.105 -14.770 11.046 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.553 -15.305 11.163 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.331 -15.195 10.818 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -14.584 -15.519 10.255 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -14.910 -14.572 11.434 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -16.472 -21.791 23.740 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -15.921 -21.620 24.523 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -16.251 -21.055 23.128 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -23.018 -16.676 14.246 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -22.983 -16.991 15.152 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -23.583 -17.334 13.784 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -21.291 -18.090 12.637 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -20.489 -17.655 12.283 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -21.775 -17.368 13.088 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -19.510 -18.627 26.872 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.961 -18.397 26.118 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.532 -17.806 27.414 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -18.952 -22.667 30.152 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.975 -21.752 29.775 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.873 -22.949 30.136 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -17.284 -23.500 28.039 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -17.893 -23.288 28.775 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -16.557 -23.995 28.468 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.315 -24.972 29.368 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -15.208 -25.791 29.900 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.137 -24.246 30.008 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -11.615 -10.026 19.546 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -12.343 -10.154 20.200 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -11.992 -9.418 18.886 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -9.713 -14.024 25.354 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -9.814 -14.991 25.253 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -10.501 -13.756 25.886 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -15.329 -18.021 29.553 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.609 -18.008 28.606 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -14.431 -17.634 29.542 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -14.541 -14.859 19.841 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.027 -15.714 19.769 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -14.172 -14.875 20.730 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -13.031 -14.150 15.045 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -12.524 -14.712 14.423 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -13.865 -13.953 14.559 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.065 -29.818 19.095 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.611 -29.903 18.280 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -15.141 -29.830 18.764 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -23.297 -28.336 15.074 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -22.892 -27.540 15.489 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -23.409 -28.950 15.803 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -25.852 -23.100 10.257 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -25.781 -23.945 10.755 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -26.711 -23.153 9.823 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -15.416 -26.412 27.090 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.344 -25.812 27.865 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -15.803 -27.233 27.462 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -12.876 -16.696 25.535 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -13.345 -16.107 26.155 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -13.593 -17.214 25.107 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -19.229 -26.051 40.152 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -18.950 -25.732 39.256 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -20.109 -25.679 40.271 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -19.119 -23.156 35.821 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -18.786 -23.992 35.446 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -19.333 -23.377 36.736 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -10.314 -24.079 42.908 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -10.256 -24.684 43.655 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -11.246 -24.176 42.592 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -18.211 -28.632 40.138 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -18.626 -29.058 39.384 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -18.639 -27.754 40.185 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -9.848 -17.488 40.975 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -10.163 -17.729 40.066 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -10.521 -16.879 41.304 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -12.564 -20.110 37.831 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -12.811 -20.642 37.045 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -12.760 -20.702 38.586 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -17.646 -18.826 33.101 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -17.834 -19.657 33.589 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.062 -18.339 33.686 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -12.804 -16.808 29.494 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -12.521 -16.909 30.412 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -11.963 -16.692 28.996 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.954 -15.168 27.624 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -13.594 -15.759 28.323 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -14.882 -15.055 27.866 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.344 -25.160 37.781 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -18.400 -25.493 36.863 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -17.428 -24.816 37.852 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.010 -25.676 35.077 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -18.321 -25.906 34.194 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -17.159 -26.172 35.166 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -10.331 -18.133 44.524 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -9.670 -17.453 44.256 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -10.666 -17.818 45.367 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -15.134 -22.961 31.164 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -15.965 -22.990 31.689 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.225 -22.140 30.619 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -17.943 -18.150 30.468 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -17.925 -18.369 31.431 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -16.997 -18.061 30.226 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -19.404 -16.618 28.721 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -18.851 -17.108 29.368 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -19.935 -16.030 29.263 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -13.319 -21.809 35.900 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -14.133 -22.237 36.192 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -13.196 -22.134 34.984 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.730 -24.300 37.457 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.826 -23.869 36.580 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.002 -24.943 37.327 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -12.781 -24.782 42.020 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -13.479 -24.560 41.380 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -12.460 -25.665 41.729 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -14.845 -24.132 40.101 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -15.227 -24.085 39.200 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.500 -24.658 40.609 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -11.803 -20.384 33.517 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -11.952 -20.199 34.454 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -11.263 -19.627 33.206 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.083 -22.094 39.671 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -13.762 -22.752 39.935 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -12.868 -21.621 40.511 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -8.509 -16.237 43.727 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -8.132 -15.421 44.066 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -7.976 -16.433 42.930 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -13.508 -22.578 33.306 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -13.925 -22.752 32.433 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.889 -21.831 33.132 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -11.887 -26.307 34.755 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -11.571 -27.236 34.694 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -11.664 -25.922 33.893 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -17.759 -21.132 34.596 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -16.907 -21.436 34.947 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -18.422 -21.690 35.064 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.707 -23.263 34.881 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.397 -23.515 34.241 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -14.921 -23.080 34.322 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -12.473 -20.828 41.968 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -12.874 -20.740 42.834 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -11.549 -20.529 42.101 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -13.832 -30.145 41.260 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -14.308 -30.867 41.679 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -14.463 -29.387 41.301 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -11.829 -27.910 37.775 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -11.506 -28.248 36.916 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -11.016 -27.559 38.217 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.676 -27.112 35.242 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.999 -26.762 35.843 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.323 -27.983 34.967 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -15.110 -27.303 30.826 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.162 -27.177 31.781 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.746 -28.220 30.724 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -11.485 -3.124 -14.121 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -10.869 -3.878 -14.277 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -11.194 -2.442 -14.765 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -11.148 0.248 -13.228 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -12.012 -0.139 -12.983 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -11.042 0.011 -14.173 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -12.220 -1.290 -10.330 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -11.634 -2.030 -10.601 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -12.794 -1.149 -11.108 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -13.671 -12.307 -8.219 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -13.820 -12.676 -9.094 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.797 -13.072 -7.610 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -17.013 3.184 -0.524 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -16.984 2.220 -0.351 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.915 3.345 -0.819 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -14.554 -3.420 2.257 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -14.702 -2.632 1.694 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -15.290 -4.025 2.014 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -11.937 -3.527 6.973 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -12.702 -3.536 6.366 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -11.471 -4.364 6.773 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.741 -7.608 0.196 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.657 -8.560 -0.020 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.668 -7.509 0.476 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.870 -9.528 6.398 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.838 -8.675 6.872 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -13.539 -9.388 5.695 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -13.084 2.079 1.280 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.578 2.908 1.131 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -13.413 1.478 0.585 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -16.751 0.509 0.173 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -16.335 -0.381 0.175 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -17.429 0.452 0.857 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.248 -9.604 -6.930 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.742 -10.196 -7.514 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.361 -10.011 -6.880 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.146 -2.137 -6.261 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.996 -1.694 -6.365 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.528 -1.608 -6.819 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -17.587 -7.381 0.737 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -18.505 -7.391 0.442 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -17.400 -8.325 0.978 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -14.643 4.170 0.318 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.552 3.874 0.066 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.786 5.014 0.763 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -10.096 -5.367 -6.333 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -11.029 -5.160 -6.559 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -10.110 -6.315 -6.123 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -12.972 -7.471 8.321 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -12.737 -8.070 9.066 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -13.939 -7.324 8.431 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.524 -4.049 4.733 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.958 -3.724 3.913 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.745 -5.001 4.758 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -11.646 -0.521 -7.842 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -11.912 -0.736 -8.773 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.029 0.368 -7.678 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.644 -7.459 11.373 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.521 -6.570 11.718 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.707 -7.334 10.402 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -15.101 -1.742 0.125 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.949 -2.580 -0.365 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.500 -1.100 -0.303 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -12.216 -0.719 3.707 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -11.653 -0.175 3.114 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -13.110 -0.400 3.542 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.659 -4.177 -1.083 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -14.964 -4.238 -1.995 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -13.906 -4.812 -1.040 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -12.678 -4.742 -6.941 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.017 -4.778 -7.842 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -12.913 -3.843 -6.631 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -14.142 0.656 -0.855 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -15.082 0.812 -0.640 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.914 1.379 -1.473 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -16.433 -4.941 1.088 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -16.921 -5.768 0.891 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -15.965 -4.736 0.257 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.020 -6.766 5.045 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.263 -7.613 4.616 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.810 -6.539 5.584 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -16.402 -6.108 6.254 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -16.753 -6.200 5.335 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.737 -5.254 6.548 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.983 -6.333 -1.392 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -13.659 -6.767 -0.827 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.695 -7.036 -1.996 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -11.606 -6.183 6.284 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -12.329 -6.349 5.651 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -11.872 -6.678 7.079 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -11.741 -10.765 -7.106 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -12.337 -11.371 -7.607 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -11.016 -11.349 -6.798 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -13.952 -13.262 4.434 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.474 -14.102 4.580 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -14.821 -13.408 4.864 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.822 -9.336 4.441 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.072 -10.047 3.815 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.462 -9.441 5.189 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -14.254 -8.063 -4.712 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -14.321 -8.641 -5.509 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -14.772 -7.287 -4.942 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -15.711 -7.383 8.607 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -16.057 -8.291 8.558 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.001 -6.971 7.761 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -18.148 -10.660 18.820 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -17.446 -11.113 19.325 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -18.717 -10.280 19.495 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.960 -9.827 17.818 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.020 -9.602 17.679 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.409 -8.950 17.845 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.226 -10.860 14.024 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -13.966 -10.668 13.421 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -12.426 -10.677 13.484 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -9.795 -7.201 13.972 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -10.567 -7.254 13.368 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -9.101 -6.784 13.428 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.025 -10.022 12.017 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -15.317 -9.078 11.965 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -15.704 -10.453 12.589 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -11.331 -7.061 11.625 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -11.773 -7.860 11.269 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -11.666 -6.329 11.059 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.851 -7.256 17.382 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -16.034 -6.394 17.770 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.536 -7.353 16.680 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -12.707 -9.208 10.429 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -13.354 -9.480 11.108 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -12.594 -10.007 9.875 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -15.693 -11.754 19.723 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.444 -11.215 18.943 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -15.434 -12.660 19.483 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -17.845 -7.787 15.588 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -17.689 -8.750 15.689 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -18.611 -7.730 15.011 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.719 -11.386 13.721 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -16.906 -11.041 14.622 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -17.566 -11.817 13.451 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -10.680 -39.114 8.014 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -10.978 -38.206 8.267 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -11.324 -39.705 8.469 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -8.500 -35.494 6.892 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -9.293 -35.040 7.217 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -7.772 -34.869 7.083 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 1.702 -26.979 2.917 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 2.014 -27.845 2.595 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 1.910 -26.998 3.893 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -5.505 -37.529 6.393 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -5.047 -38.258 6.858 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -6.450 -37.755 6.468 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -4.487 -39.546 7.963 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -4.826 -39.223 8.831 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -3.580 -39.815 8.151 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 2.665 -30.855 4.680 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 1.688 -30.765 4.625 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 2.799 -31.743 5.038 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 3.217 -29.277 2.505 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 3.569 -29.941 1.904 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 3.081 -29.765 3.350 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -5.277 -31.957 6.411 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -4.373 -32.160 6.714 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -5.841 -32.585 6.903 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -6.951 -40.623 7.419 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -7.325 -39.751 7.185 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -5.993 -40.453 7.516 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -0.045 -31.152 4.283 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -0.398 -31.177 3.388 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -0.750 -30.703 4.805 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -2.530 -32.385 7.260 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -2.285 -32.570 8.184 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -2.220 -33.180 6.770 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 4.815 -31.610 7.616 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 3.969 -32.110 7.610 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 4.570 -30.719 7.276 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -2.212 -30.150 5.633 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -2.258 -29.353 6.179 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -2.366 -30.887 6.266 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -10.605 -25.748 1.318 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -10.781 -25.358 2.181 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -10.970 -26.655 1.384 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -8.053 -38.764 11.006 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -8.601 -38.291 11.673 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -8.423 -39.667 10.993 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -11.943 -40.486 5.753 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -11.489 -39.805 6.271 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -11.534 -41.332 6.060 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -3.978 -35.568 5.217 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -4.412 -36.295 5.719 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -4.666 -35.248 4.628 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -8.162 -38.153 7.122 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -9.042 -38.501 7.367 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -8.321 -37.191 6.961 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -7.499 -36.314 9.837 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -7.696 -37.170 10.272 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -7.077 -36.568 9.002 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -1.541 -34.732 6.153 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -2.344 -35.054 5.677 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -1.500 -35.300 6.955 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 2.646 -33.290 7.586 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 2.978 -34.196 7.570 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 1.941 -33.281 6.894 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -9.315 -27.680 7.917 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -9.806 -26.846 8.012 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -8.385 -27.430 8.115 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -6.663 -29.123 2.344 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -6.864 -29.983 1.938 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -5.995 -29.336 3.037 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -10.640 -42.669 6.630 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -10.652 -43.650 6.688 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -10.111 -42.392 7.402 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 4.796 -27.055 1.963 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 4.245 -26.264 1.799 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 4.152 -27.749 2.216 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -9.297 -28.921 -0.362 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -8.579 -28.258 -0.271 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -8.953 -29.713 0.112 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -1.756 -35.943 8.626 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -1.600 -35.107 9.101 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -2.316 -36.459 9.235 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -4.407 -34.285 9.724 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -4.151 -35.204 9.969 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -3.564 -33.795 9.740 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 0.851 -33.397 5.583 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 0.481 -32.629 5.102 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 0.075 -33.985 5.723 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -5.411 -38.740 10.370 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -5.027 -39.525 10.834 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.361 -38.755 10.622 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -3.607 -36.731 10.654 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -3.520 -36.644 11.627 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -4.276 -37.443 10.537 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -9.225 -41.366 8.645 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -9.658 -40.524 8.398 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -8.333 -41.307 8.225 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -4.462 -40.948 11.514 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -4.183 -40.849 12.452 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -5.213 -41.574 11.552 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -6.816 -42.389 11.408 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.721 -42.024 11.319 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -6.801 -43.133 10.796 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -12.988 -31.604 -1.283 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -13.132 -32.110 -2.089 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -12.332 -30.912 -1.548 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -8.748 -31.041 1.236 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -9.051 -30.641 2.076 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -9.470 -31.662 0.993 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 7.738 -30.640 1.445 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 7.770 -30.703 2.423 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 8.545 -31.077 1.154 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 6.657 -28.461 5.276 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 7.177 -28.151 6.030 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 5.809 -28.768 5.679 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 4.772 -30.379 11.988 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 5.247 -30.966 11.363 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 3.848 -30.482 11.749 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 4.254 -29.269 6.386 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 3.621 -29.615 5.722 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 3.748 -28.543 6.839 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.506 -42.189 3.478 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -11.683 -41.424 4.044 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -11.173 -42.858 4.083 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -14.215 -42.251 8.522 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -14.669 -41.490 8.097 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -13.497 -41.836 9.038 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -23.615 -40.175 1.935 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -22.972 -39.451 1.755 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -24.219 -40.142 1.191 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -6.669 -33.788 8.157 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -7.322 -33.662 8.862 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -5.837 -34.001 8.635 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -9.308 -29.286 3.262 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -8.384 -29.008 3.108 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -9.376 -29.363 4.244 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -9.392 -29.568 5.959 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -8.969 -30.305 6.412 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -9.429 -28.857 6.640 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 2.147 -31.490 18.619 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 2.166 -30.736 17.996 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 1.187 -31.637 18.786 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -0.787 -37.612 24.474 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -0.216 -36.854 24.220 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -0.174 -38.264 24.821 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -9.887 -34.119 26.606 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -8.927 -33.970 26.454 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -10.283 -34.053 25.711 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 3.365 -34.496 21.806 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 2.583 -34.868 22.230 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 3.101 -34.405 20.855 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -15.851 -35.032 19.957 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -15.956 -35.968 19.763 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -15.628 -34.629 19.083 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -4.104 -39.099 18.305 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -3.754 -38.767 19.159 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -4.828 -39.707 18.567 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -1.301 -32.933 14.863 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -0.918 -33.724 15.296 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -1.961 -32.590 15.525 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -11.753 -31.719 10.397 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -11.033 -31.080 10.385 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -11.360 -32.528 10.038 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 2.420 -30.267 23.345 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 1.743 -30.490 22.665 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 2.939 -29.546 22.932 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 4.159 -30.041 19.756 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 4.607 -30.718 20.318 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 3.417 -30.536 19.341 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -0.190 -35.443 15.409 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -0.270 -35.844 14.537 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.019 -35.716 15.878 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 1.959 -35.564 17.071 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 2.080 -36.513 17.012 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 1.206 -35.379 16.467 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -4.097 -38.156 15.736 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -5.060 -38.197 15.507 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -4.053 -38.529 16.652 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -7.653 -36.496 22.302 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -8.362 -36.460 22.948 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -6.838 -36.608 22.844 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -6.719 -33.434 21.904 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -6.659 -34.076 21.168 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -5.821 -33.426 22.285 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -3.972 -40.577 14.180 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -4.074 -41.159 14.938 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -3.958 -39.682 14.568 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -7.248 -33.532 26.521 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -7.332 -32.592 26.820 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -6.375 -33.565 26.069 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -6.654 -38.449 14.923 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -7.332 -37.768 14.769 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -7.014 -39.252 14.483 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 5.528 -32.288 10.122 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 5.285 -32.011 9.209 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 6.482 -32.502 10.057 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -13.762 -34.452 25.230 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -14.162 -33.659 24.796 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -14.310 -35.187 24.930 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 4.767 -31.793 23.876 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 3.888 -31.372 23.875 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 5.039 -31.777 22.931 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -9.172 -32.694 22.750 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -8.270 -32.881 22.392 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -9.520 -33.568 22.981 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 1.154 -33.246 9.991 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 1.611 -33.162 9.134 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 1.879 -33.366 10.636 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -6.249 -40.632 19.097 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -7.075 -40.473 18.628 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -6.522 -40.885 19.984 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -9.323 -41.222 11.366 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -9.497 -41.427 10.417 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -10.166 -40.820 11.684 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -3.031 -36.082 25.018 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -2.455 -35.309 24.841 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -2.428 -36.851 24.916 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -7.625 -40.660 13.629 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -6.990 -41.328 13.329 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -8.384 -40.771 13.034 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -4.705 -33.879 25.621 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -4.216 -34.700 25.405 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -4.401 -33.232 24.941 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -3.350 -38.333 20.860 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -2.783 -38.750 21.515 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -3.440 -37.413 21.172 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -2.165 -34.180 12.551 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -2.685 -34.937 12.890 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -1.869 -33.710 13.359 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -2.431 -33.377 19.936 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -3.064 -33.194 20.645 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -2.983 -33.732 19.206 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -6.092 -35.543 20.210 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -6.769 -36.012 20.748 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -5.244 -35.847 20.578 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -6.686 -36.385 30.337 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -6.396 -37.297 30.403 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -6.727 -36.216 29.367 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -1.652 -33.856 24.236 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -1.514 -33.042 24.772 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -2.398 -33.624 23.638 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 3.873 -30.085 15.000 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 3.923 -30.013 15.966 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 4.804 -29.964 14.700 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 0.674 -35.278 24.059 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -0.166 -34.766 24.043 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 1.290 -34.704 24.528 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -9.598 -34.536 9.412 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -8.857 -35.169 9.489 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -10.257 -34.865 10.058 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -2.523 -36.030 16.574 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -3.028 -35.546 17.261 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -3.109 -36.773 16.328 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -0.517 -31.550 19.050 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -0.947 -31.077 18.295 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -1.144 -32.279 19.262 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 2.091 -32.205 13.805 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 2.255 -32.710 12.987 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 2.958 -32.190 14.251 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 3.459 -33.293 11.631 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 4.111 -33.117 10.920 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 4.002 -33.293 12.451 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -5.377 -33.029 16.300 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -4.505 -32.551 16.348 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -5.993 -32.444 16.761 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -8.206 -36.115 14.532 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -8.539 -35.619 15.289 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -7.318 -35.720 14.359 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -5.856 -34.816 14.212 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -5.651 -34.107 14.864 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -6.022 -34.334 13.371 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -12.501 -40.270 9.685 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -13.052 -39.486 9.440 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -12.212 -40.081 10.599 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 0.456 -30.675 21.475 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 0.261 -30.904 20.539 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -0.178 -31.196 21.979 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -11.351 -33.801 30.594 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.885 -34.331 29.987 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -10.492 -33.697 30.129 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -6.460 -34.313 11.545 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -6.928 -35.054 11.116 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -5.686 -34.157 10.969 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -4.115 -32.938 28.112 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -4.991 -32.638 28.438 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -4.320 -33.433 27.291 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -1.641 -33.516 9.977 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -0.673 -33.331 9.976 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -1.836 -33.750 10.920 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -4.245 -34.659 18.267 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -5.020 -34.988 18.764 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -4.634 -34.128 17.542 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -3.688 -36.344 13.463 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -4.500 -35.862 13.739 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -3.586 -37.039 14.140 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -5.250 -36.675 23.520 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -4.614 -36.586 24.255 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -4.728 -36.452 22.730 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -1.518 -31.453 25.547 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -1.712 -31.183 26.466 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -2.360 -31.292 25.069 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -3.596 -35.675 21.526 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -2.897 -35.446 20.889 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -3.747 -34.831 22.028 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -2.285 -30.936 28.234 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -2.713 -30.533 29.008 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -2.779 -31.777 28.104 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 5.021 -32.535 13.744 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 5.022 -31.637 13.354 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 5.784 -32.531 14.355 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 2.590 -34.121 19.288 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 2.514 -33.191 18.991 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 2.382 -34.647 18.482 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 1.612 -30.566 25.990 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 0.654 -30.695 25.883 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 1.950 -30.515 25.070 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -16.246 -33.128 21.839 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -16.036 -33.862 21.208 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -17.207 -33.059 21.806 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -0.037 -29.480 28.655 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -0.846 -29.943 28.355 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 0.628 -30.195 28.740 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 1.930 -26.405 37.297 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 1.267 -25.704 37.447 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 1.395 -27.206 37.163 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -0.444 -31.439 32.783 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -1.162 -30.786 32.664 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -0.768 -32.016 33.487 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -11.168 -33.049 33.225 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -11.273 -33.480 32.345 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -10.383 -33.483 33.612 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -2.830 -29.976 32.768 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.971 -29.066 33.111 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -3.373 -30.014 31.955 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 4.301 -30.764 29.215 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 4.946 -30.429 28.566 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 4.447 -30.212 30.004 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -4.229 -28.747 36.110 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -3.450 -29.227 36.453 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -3.900 -28.310 35.303 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -0.240 -27.840 30.758 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 0.446 -28.317 31.263 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -0.314 -28.349 29.918 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -2.029 -30.240 36.900 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -1.998 -30.867 36.150 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -2.662 -30.657 37.529 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -2.805 -31.847 34.752 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -3.732 -32.113 34.880 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -2.849 -31.151 34.064 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 1.794 -31.552 28.681 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 1.752 -31.491 27.710 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 2.741 -31.369 28.891 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -5.624 -32.518 34.507 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -5.732 -33.288 35.112 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -5.858 -32.868 33.638 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -4.186 -31.443 38.045 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -4.457 -32.352 38.262 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -5.023 -30.972 37.905 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 1.950 -31.605 31.498 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 1.753 -31.782 30.554 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 1.074 -31.686 31.947 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 5.823 -29.400 27.334 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 6.350 -28.947 28.030 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 6.305 -29.210 26.514 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -4.132 -30.821 30.455 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -4.968 -31.012 29.971 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -3.790 -31.696 30.688 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -8.780 -33.945 34.461 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -8.545 -34.251 33.551 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -8.164 -34.421 35.037 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -9.001 -33.823 29.244 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -9.370 -33.991 28.351 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -8.064 -33.646 29.082 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -9.545 -31.460 35.618 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -8.704 -31.011 35.383 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -9.416 -32.380 35.302 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 3.175 -28.461 27.167 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 4.050 -28.893 27.254 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 2.582 -29.182 26.860 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -6.730 -36.040 27.632 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -6.975 -35.184 27.228 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -6.376 -36.554 26.900 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -5.878 -34.729 36.106 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -5.726 -34.387 37.016 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -5.487 -35.609 36.118 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -8.212 -34.693 31.872 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -7.617 -35.363 31.466 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -8.701 -34.327 31.115 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -10.942 -28.840 35.316 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -10.137 -29.383 35.346 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -11.650 -29.480 35.096 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -2.998 -27.467 33.936 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -3.533 -26.658 34.033 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -2.076 -27.162 34.068 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -8.963 -29.519 40.717 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -8.814 -30.342 41.191 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -9.879 -29.600 40.380 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -7.333 -31.957 38.766 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -7.124 -31.066 38.432 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -8.318 -31.990 38.761 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -0.771 -27.759 36.896 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -1.074 -28.698 36.906 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -1.377 -27.308 37.519 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -10.022 -31.760 38.555 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -10.189 -31.693 37.604 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -10.683 -31.164 38.959 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -7.192 -30.260 34.863 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -6.826 -29.578 34.263 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -6.567 -31.016 34.773 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -5.461 -33.884 38.686 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -5.411 -34.288 39.560 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -6.205 -33.234 38.763 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 4.348 -31.948 32.855 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 4.498 -32.874 32.639 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 3.489 -31.740 32.424 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -3.001 -12.205 -14.115 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.912 -11.527 -14.803 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -2.098 -12.605 -14.052 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -2.198 -11.769 -18.054 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -2.035 -12.599 -18.512 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -3.119 -11.851 -17.721 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 0.405 -15.185 -12.054 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 0.103 -15.978 -12.510 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 1.029 -15.527 -11.369 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -6.172 -17.292 -8.791 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -6.468 -16.452 -9.200 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -6.652 -17.972 -9.271 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.009 -15.004 -10.080 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.901 -14.046 -9.871 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -7.935 -15.084 -10.336 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -4.277 -14.419 -10.517 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -5.185 -14.766 -10.444 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -3.778 -14.923 -9.862 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -4.697 -11.358 -17.078 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -5.433 -11.677 -16.546 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -5.037 -10.543 -17.496 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 3.202 -14.519 -7.145 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 3.630 -13.670 -7.333 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 2.334 -14.453 -7.604 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -6.922 -15.376 -4.819 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -6.175 -14.966 -5.303 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -7.714 -14.934 -5.176 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -2.579 -19.162 -6.970 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -2.614 -19.925 -7.580 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -1.648 -19.133 -6.686 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 1.800 -16.236 -9.925 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 2.316 -16.810 -9.331 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 1.499 -15.506 -9.349 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -0.857 -13.403 -10.314 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -0.474 -14.031 -10.963 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -1.488 -12.871 -10.841 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -2.186 -12.646 -7.954 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -1.732 -12.894 -8.785 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -1.586 -12.963 -7.252 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 0.966 -9.758 -13.248 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 1.183 -10.599 -13.706 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 1.706 -9.158 -13.487 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -8.317 -10.849 -7.958 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -8.869 -11.481 -7.441 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -7.839 -11.419 -8.597 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -4.824 -12.310 -7.619 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -3.872 -12.385 -7.874 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -4.970 -13.080 -7.030 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 0.863 -14.135 -8.401 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 0.312 -13.952 -7.614 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 0.367 -13.717 -9.142 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -12.508 -17.568 -6.092 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -11.553 -17.766 -5.947 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -12.797 -18.246 -6.707 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -4.052 -16.791 -7.172 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -4.831 -17.047 -7.720 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -3.460 -17.568 -7.219 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -9.325 -19.002 -1.943 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -8.732 -19.657 -2.364 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -10.052 -19.542 -1.582 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -1.364 -15.696 -4.371 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -1.150 -15.764 -3.418 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -1.007 -16.521 -4.749 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -3.521 -24.866 -6.670 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -3.571 -25.577 -7.314 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.416 -24.850 -6.258 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 2.836 -7.815 -13.878 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 2.325 -7.004 -13.677 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 3.700 -7.664 -13.437 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -0.426 -13.083 -13.745 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -0.059 -13.787 -13.172 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 0.362 -12.647 -14.122 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -9.722 -15.072 -5.274 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -10.013 -15.868 -5.743 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -9.997 -15.229 -4.344 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -6.699 -12.321 -9.608 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -5.976 -12.314 -8.937 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -6.428 -11.639 -10.259 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -1.748 -9.685 -11.539 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -0.916 -9.840 -11.030 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -2.242 -10.529 -11.449 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -8.882 -8.288 -11.041 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -8.654 -8.355 -10.098 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -8.022 -8.234 -11.496 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -5.937 -10.390 -11.513 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -6.276 -9.559 -11.909 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -5.850 -11.000 -12.276 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -3.044 -12.116 -11.377 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -3.559 -12.885 -11.033 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -3.084 -12.218 -12.352 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 0.748 -10.023 -10.514 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 1.609 -10.008 -10.082 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 0.956 -9.962 -11.469 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -6.568 -7.896 -12.658 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -6.620 -6.940 -12.866 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -6.428 -8.324 -13.529 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -6.204 -9.649 -14.743 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -6.995 -9.621 -15.334 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -6.184 -10.574 -14.413 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -5.704 -12.130 -13.684 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -4.739 -12.230 -13.865 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -6.002 -13.028 -13.494 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 3.259 -17.235 -7.706 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 3.335 -16.297 -7.430 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 4.168 -17.549 -7.731 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -5.632 -21.675 -2.294 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.490 -21.370 -2.664 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -5.103 -21.888 -3.079 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -0.600 -12.434 1.083 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 0.384 -12.431 1.059 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -0.847 -11.527 0.817 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -3.323 -26.986 -2.120 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -3.415 -27.888 -2.431 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -2.367 -26.909 -1.883 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -0.476 -22.507 1.777 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -0.471 -23.360 2.254 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.755 -22.744 0.863 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -4.916 -30.062 4.327 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -3.984 -29.971 4.584 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -5.270 -30.727 4.954 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -0.622 -16.723 -1.948 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -0.346 -17.414 -2.584 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -1.113 -17.213 -1.270 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 0.265 -20.036 -6.799 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 0.962 -19.393 -6.993 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 0.492 -20.374 -5.908 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 0.385 -17.975 -4.253 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.455 -18.952 -4.275 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 1.295 -17.676 -4.049 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 1.575 -12.238 -2.399 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 1.834 -12.328 -3.342 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 1.568 -13.160 -2.071 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -2.121 -13.403 -1.041 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -1.824 -12.675 -1.622 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -1.616 -13.268 -0.217 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 2.963 -17.151 -3.572 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 3.502 -17.504 -4.290 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 3.546 -17.224 -2.778 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.506 -20.738 -3.766 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -2.379 -21.396 -4.480 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -3.247 -20.191 -4.078 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -3.014 -21.195 -0.270 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -2.395 -20.569 -0.704 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -2.552 -22.052 -0.315 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 2.086 -22.759 0.778 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 1.187 -22.558 1.119 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.388 -23.514 1.334 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -1.547 -21.379 -8.354 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.751 -20.955 -7.958 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -1.245 -21.699 -9.211 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -11.259 -28.456 1.510 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -10.696 -28.788 2.242 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -10.714 -28.600 0.709 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -10.746 -23.802 -2.454 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -10.701 -22.916 -2.063 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -10.108 -24.328 -1.928 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -2.222 -20.404 2.275 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -1.555 -21.116 2.274 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -2.734 -20.561 1.464 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -5.230 -21.898 -5.110 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -4.352 -22.086 -5.505 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -5.286 -20.922 -5.113 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -6.210 -22.135 0.398 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -5.745 -22.107 -0.463 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -7.160 -22.099 0.152 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -1.034 -23.186 -0.750 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -0.226 -23.580 -1.146 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -1.771 -23.684 -1.166 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 1.627 -15.085 -2.270 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 2.047 -15.739 -2.866 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 0.792 -15.519 -1.992 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 1.963 -23.290 -4.370 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 2.887 -23.594 -4.185 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 1.682 -23.833 -5.114 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 4.193 -14.475 -1.442 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 4.530 -15.377 -1.302 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 3.245 -14.604 -1.643 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -9.905 -18.232 -5.730 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -9.011 -18.004 -5.415 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -9.988 -19.190 -5.533 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 1.431 -20.102 -1.360 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 1.628 -19.291 -0.850 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 1.762 -20.821 -0.799 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -1.266 -19.588 -1.621 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -0.341 -19.898 -1.553 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -1.614 -20.041 -2.426 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -4.591 -14.441 -5.916 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -3.827 -14.215 -5.362 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -4.337 -15.299 -6.340 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -2.365 -12.600 -4.373 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -1.659 -12.959 -4.942 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -1.882 -12.116 -3.668 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -4.298 -24.216 0.877 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -4.056 -24.245 -0.073 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -4.917 -23.465 0.940 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -2.034 -25.828 0.964 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -1.477 -25.519 1.705 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -2.832 -25.265 1.013 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -2.693 -22.365 -6.034 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -2.240 -22.064 -6.851 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -2.884 -23.318 -6.206 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -3.633 -15.087 -2.612 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -3.046 -15.183 -3.380 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -3.088 -14.594 -1.955 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -10.112 -20.876 -5.004 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -10.026 -21.727 -5.451 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -11.000 -20.917 -4.577 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 4.966 -14.124 1.623 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 4.759 -13.420 0.996 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 5.147 -13.651 2.466 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -3.940 -10.730 -5.427 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -4.504 -11.183 -6.077 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -3.411 -11.450 -5.024 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 1.981 -13.084 -4.989 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 2.416 -12.380 -5.524 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 2.489 -13.885 -5.200 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -7.579 -17.880 -4.249 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -7.253 -16.967 -4.453 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -8.137 -17.764 -3.464 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -0.467 -13.705 -6.017 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -0.762 -14.496 -5.503 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 0.383 -13.444 -5.587 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -4.533 -19.224 -5.061 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -5.088 -18.442 -5.187 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -3.851 -19.152 -5.768 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -10.635 -15.851 -2.755 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -10.880 -15.210 -2.043 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -10.313 -16.627 -2.275 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 4.587 -17.336 -1.402 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 5.544 -17.470 -1.217 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 4.142 -17.931 -0.767 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 4.494 -18.878 0.914 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 4.400 -19.802 1.236 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 5.439 -18.802 0.675 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 1.026 -20.690 -4.121 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 1.325 -21.620 -4.238 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 1.187 -20.509 -3.172 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 4.108 -21.370 1.893 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 4.026 -21.933 2.700 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 3.446 -21.745 1.279 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 1.190 -24.416 -1.871 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 2.071 -24.460 -1.451 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 1.369 -24.048 -2.758 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -13.319 -23.622 -3.229 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -12.377 -23.834 -3.009 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -13.705 -24.476 -3.457 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 2.170 -12.286 0.819 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 2.842 -11.824 1.363 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 2.476 -12.164 -0.091 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 2.729 -11.910 5.748 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 3.360 -12.604 6.040 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 2.360 -11.558 6.586 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -3.629 -25.136 4.048 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -3.802 -25.580 3.205 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -3.570 -25.868 4.698 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 3.223 -24.742 2.384 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 2.574 -25.435 2.635 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 3.217 -24.119 3.156 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -0.767 -26.431 -1.424 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -1.068 -26.245 -0.506 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -0.027 -25.811 -1.563 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -8.925 -24.834 -0.579 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -9.598 -25.058 0.109 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -8.306 -25.583 -0.551 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -7.155 -27.269 0.227 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -6.999 -27.809 1.032 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -6.276 -26.953 -0.018 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -0.264 -25.040 2.937 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 0.351 -24.503 3.511 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.204 -25.898 2.837 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -6.001 -24.492 -5.576 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -6.699 -24.728 -4.958 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -5.873 -23.528 -5.437 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -3.365 -24.296 -1.727 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -3.643 -23.949 -2.583 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -3.357 -25.275 -1.855 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 5.258 -12.060 -2.121 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 4.860 -12.944 -1.949 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 6.114 -12.099 -1.685 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.714 -12.451 -6.251 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -9.525 -12.045 -5.376 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -9.774 -13.412 -6.058 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -10.210 -16.790 25.329 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.989 -17.298 24.532 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -11.202 -16.783 25.344 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 3.999 -13.469 28.090 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 4.671 -14.056 28.509 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 3.147 -13.917 28.276 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -7.328 -17.992 23.630 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -7.256 -18.239 22.687 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -6.481 -17.543 23.822 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 1.755 -14.888 28.793 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 1.050 -14.876 29.477 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 1.284 -15.069 27.965 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 5.355 -14.063 25.664 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 4.756 -13.819 26.401 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 6.256 -13.970 26.051 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -11.775 -13.564 27.021 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -11.558 -13.284 27.916 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -12.587 -14.102 27.128 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -7.844 -17.795 26.364 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -7.547 -17.932 25.443 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -8.669 -17.288 26.270 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.136 -18.807 28.033 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -4.283 -19.159 27.147 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.217 -19.590 28.620 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 4.553 -18.251 27.963 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 4.148 -17.496 27.477 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.829 -18.597 28.522 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -8.394 -14.435 27.807 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -7.446 -14.183 27.861 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -8.665 -14.145 26.915 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.103 -12.393 23.233 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -9.167 -13.043 23.972 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -9.836 -11.786 23.390 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -7.136 -10.270 22.571 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -7.838 -10.043 21.930 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -7.496 -11.036 23.048 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -8.907 -13.220 20.597 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -9.069 -13.045 21.549 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -9.419 -14.039 20.415 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 3.560 -16.324 26.302 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 2.633 -16.107 26.073 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 4.087 -15.702 25.776 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -4.825 -19.396 38.995 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -4.626 -19.550 38.053 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -4.425 -20.162 39.450 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -10.029 -20.890 39.683 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -10.045 -20.798 40.646 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -10.339 -20.027 39.355 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 0.950 -16.824 35.380 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 0.965 -16.142 36.058 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -0.010 -17.009 35.247 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -4.538 -19.815 36.220 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -5.264 -19.963 35.579 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -4.303 -18.869 36.100 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 2.127 -23.221 36.919 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 2.702 -23.502 37.643 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 1.233 -23.517 37.195 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -0.252 -25.435 31.872 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -0.303 -26.270 31.347 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -0.230 -25.741 32.799 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -6.719 -20.229 34.524 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -7.146 -20.673 33.782 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -6.573 -19.306 34.195 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -9.592 -26.962 38.923 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -8.686 -27.311 39.035 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -9.562 -26.078 39.368 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -4.466 -17.037 36.122 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -5.079 -16.872 36.865 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -4.777 -16.433 35.415 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.690 -26.449 37.085 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 4.925 -26.787 37.958 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 3.704 -26.392 37.107 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -10.172 -18.153 32.851 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -9.464 -17.997 33.482 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -9.821 -17.800 32.005 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -6.402 -29.688 37.412 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -6.917 -29.873 36.601 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -5.578 -29.256 37.072 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 3.565 -18.315 36.147 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 3.384 -19.268 36.026 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 2.733 -17.879 35.893 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -8.413 -18.569 37.126 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -7.942 -19.348 36.816 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -7.721 -18.024 37.556 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -7.220 -22.193 36.491 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -6.328 -22.376 36.852 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -7.072 -21.485 35.837 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.260 -15.885 31.706 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -2.832 -15.088 31.758 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.740 -16.477 31.112 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 6.076 -25.579 30.020 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 5.969 -25.608 30.999 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 6.561 -26.399 29.809 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.647 -15.415 29.000 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 5.979 -16.161 28.474 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 5.043 -15.834 29.655 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 1.516 -12.690 31.048 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 2.406 -12.970 30.807 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 1.019 -13.528 31.147 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -7.048 -27.979 39.437 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -7.604 -28.528 40.035 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -6.755 -28.605 38.741 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -6.754 -23.668 40.752 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -7.304 -23.037 41.274 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -5.842 -23.435 40.988 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -3.458 -21.744 39.692 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -2.509 -21.620 39.798 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -3.673 -22.488 40.300 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -8.429 -22.157 42.341 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -8.892 -21.303 42.409 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -9.098 -22.814 42.629 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -0.220 -24.619 37.551 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.785 -24.446 36.784 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -0.792 -25.145 38.150 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -4.548 -22.393 37.227 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -4.385 -21.519 36.811 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -4.272 -22.267 38.159 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -3.958 -23.934 41.252 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -4.198 -24.718 40.706 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -3.776 -24.302 42.123 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -10.701 -18.362 38.618 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -9.988 -18.410 37.938 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -11.452 -18.863 38.218 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -10.053 -19.807 42.408 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -10.199 -19.395 43.295 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -9.962 -19.037 41.806 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 6.202 -17.704 35.816 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 6.297 -16.807 36.156 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 5.260 -17.937 36.013 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.802 -16.862 35.005 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -2.124 -16.611 34.127 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -2.611 -16.921 35.548 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -6.127 -17.939 33.245 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.861 -17.031 33.492 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -5.581 -18.140 32.456 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -6.358 -17.229 38.459 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -6.586 -16.775 39.288 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -5.773 -17.969 38.745 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 0.373 -15.210 31.152 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 0.901 -15.776 31.760 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -0.559 -15.400 31.399 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -9.273 -24.776 40.393 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -9.690 -24.515 41.235 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -8.396 -24.342 40.416 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 1.901 -16.829 32.794 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 2.318 -17.716 32.855 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 1.579 -16.659 33.707 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -4.941 -20.882 29.652 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -5.854 -21.136 29.471 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -4.558 -21.670 30.104 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -4.381 -18.609 31.148 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -4.722 -19.341 30.597 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -3.496 -18.895 31.396 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.266 -14.022 31.426 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -4.145 -13.292 30.789 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -5.029 -14.528 31.067 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -6.297 -15.570 30.391 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -6.842 -16.324 30.675 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -6.860 -15.099 29.754 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 2.768 -24.221 34.427 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 2.447 -25.135 34.267 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 2.401 -23.987 35.306 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -6.996 -18.229 28.940 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -6.046 -18.341 28.812 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -7.338 -18.042 28.035 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -5.182 -15.394 33.870 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -5.973 -14.824 34.011 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -4.694 -14.946 33.153 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -4.170 -16.117 28.683 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -4.857 -16.068 29.379 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -4.110 -17.072 28.475 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 3.496 -16.369 30.449 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 3.015 -16.554 31.276 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 2.831 -15.950 29.873 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -5.179 -25.943 39.818 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -5.875 -25.270 39.932 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -5.678 -26.771 39.652 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -3.899 -12.012 29.278 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -2.972 -11.955 28.962 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -4.122 -11.100 29.514 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -8.984 -17.170 30.516 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -8.289 -17.700 30.066 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -9.507 -16.796 29.782 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 5.873 -19.138 33.470 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 6.735 -19.197 32.994 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 6.066 -18.566 34.243 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 7.781 -21.803 34.120 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 6.850 -22.041 34.234 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 7.780 -21.184 33.363 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 7.041 -19.089 27.506 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 6.059 -18.992 27.587 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 7.345 -18.189 27.240 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 3.272 -21.028 35.484 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 2.715 -21.655 35.987 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 4.102 -21.517 35.331 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -7.203 -16.960 41.339 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -8.145 -17.146 41.123 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -6.804 -17.834 41.430 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 2.539 -22.595 32.241 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 2.617 -23.015 33.121 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 3.289 -21.972 32.204 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 2.177 -26.882 33.666 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 1.989 -27.613 33.033 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 3.062 -27.109 34.030 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -11.598 -29.820 39.793 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -12.405 -30.041 40.322 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -11.921 -29.186 39.120 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -2.418 -26.133 38.451 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -3.120 -26.357 39.085 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -2.904 -25.723 37.695 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -0.422 -26.501 34.469 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -0.596 -26.899 35.354 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 0.512 -26.734 34.283 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -3.556 -24.824 36.383 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -3.915 -24.964 35.487 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -3.967 -23.982 36.677 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -7.298 -13.726 34.218 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -7.799 -13.130 33.653 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -7.616 -13.537 35.107 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -5.692 -13.852 28.008 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -5.094 -14.625 28.029 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -5.156 -13.129 28.387 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -2.180 -0.913 -14.189 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -2.338 -0.235 -14.886 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -3.064 -1.121 -13.859 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -1.358 1.233 -18.262 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.860 1.753 -18.897 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -1.425 0.345 -18.676 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -9.101 -1.328 -12.319 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -9.800 -0.717 -12.637 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -9.597 -2.109 -11.994 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -2.840 1.004 -16.015 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.255 1.272 -16.765 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -3.301 1.831 -15.762 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 5.232 -7.037 -12.884 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 5.983 -6.472 -12.580 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 5.665 -7.737 -13.438 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -4.810 -5.123 -16.388 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -5.591 -5.622 -16.114 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -4.312 -5.752 -16.958 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 0.580 -8.678 -16.426 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 1.356 -9.258 -16.436 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 0.874 -7.877 -16.913 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -8.054 -1.212 -14.921 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -8.134 -1.356 -13.957 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -7.229 -1.679 -15.166 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -2.591 -3.457 -16.587 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -3.331 -4.091 -16.547 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -3.014 -2.615 -16.855 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 7.116 -5.202 -12.225 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 8.005 -4.847 -12.321 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 6.531 -4.422 -12.336 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -5.541 0.213 -12.770 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -5.360 0.384 -11.824 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -5.851 1.071 -13.113 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 3.172 -8.448 -18.172 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.586 -7.661 -18.138 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.514 -8.449 -19.072 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -6.972 -5.010 -12.873 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.497 -4.159 -12.974 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -7.270 -5.005 -11.939 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 2.649 -0.183 -10.999 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 3.442 0.344 -10.766 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 2.891 -0.610 -11.838 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 4.997 -3.998 -9.842 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 5.913 -4.205 -9.635 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 5.022 -3.707 -10.778 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -5.733 -2.489 -12.955 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -5.647 -2.577 -13.930 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -5.709 -1.514 -12.804 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -6.812 2.452 -14.004 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -7.397 3.137 -13.624 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -7.418 1.748 -14.274 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -7.966 -0.357 -10.084 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.240 -0.708 -10.965 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.653 0.304 -9.866 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.183 6.245 -13.940 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.711 6.905 -14.397 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -7.830 5.554 -13.680 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -4.388 3.171 -15.096 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -4.615 3.983 -15.565 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -5.247 2.859 -14.726 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.921 4.265 -13.154 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.130 3.493 -12.571 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.760 4.733 -13.227 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -3.900 -1.154 -17.300 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -3.430 -1.085 -18.150 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -3.646 -0.335 -16.819 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.054 -5.302 -18.726 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -0.863 -4.409 -18.379 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -1.186 -5.158 -19.693 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -0.347 -2.765 -15.285 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -1.155 -3.119 -15.726 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -0.684 -2.025 -14.740 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -9.526 -5.079 -14.059 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -9.403 -5.752 -14.772 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -8.618 -4.913 -13.734 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -5.677 -2.555 -15.668 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -5.455 -3.456 -15.979 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -5.199 -1.964 -16.290 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -1.382 -4.795 -21.387 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -0.839 -5.259 -22.031 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -2.100 -4.394 -21.923 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -9.824 2.174 -11.730 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -9.942 1.922 -10.792 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -10.355 1.514 -12.225 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -7.597 -9.162 -18.905 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -7.835 -9.274 -19.853 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -6.619 -9.062 -18.911 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 5.214 -3.250 -12.497 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 4.649 -3.661 -13.183 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 5.111 -2.281 -12.649 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -3.070 2.863 -12.686 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.894 2.936 -12.158 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -3.370 2.979 -13.612 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -13.329 -1.457 -12.855 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -12.817 -2.151 -13.328 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -14.235 -1.583 -13.159 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -6.110 -2.799 -10.135 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -5.877 -2.608 -11.062 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -6.687 -3.585 -10.192 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -1.689 4.182 -10.673 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -1.966 3.624 -11.431 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -1.930 5.097 -10.953 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 5.176 0.724 -10.442 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 5.560 1.574 -10.201 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 5.247 0.185 -9.616 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 4.855 -0.567 -12.822 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 5.024 0.067 -13.526 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 5.105 -0.088 -12.000 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -1.379 0.797 -12.174 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -1.979 1.536 -12.413 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -1.530 0.131 -12.875 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -10.065 -5.910 -11.471 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -9.871 -6.865 -11.320 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -10.008 -5.807 -12.445 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -1.899 -9.215 -17.284 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -1.914 -10.141 -17.626 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -0.963 -9.080 -17.005 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 1.321 -6.430 -17.790 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 0.507 -6.086 -18.221 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 1.575 -5.717 -17.156 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -4.848 -8.974 -18.566 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -4.491 -8.097 -18.317 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -4.110 -9.408 -19.016 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 0.223 -2.846 -18.012 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 0.094 -2.673 -17.056 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 1.144 -3.131 -18.076 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -9.410 -7.083 -18.583 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -10.029 -7.074 -19.318 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -8.770 -7.782 -18.815 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -5.176 5.743 -12.163 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -5.352 4.791 -12.042 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -5.844 6.030 -12.826 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -0.283 2.610 -8.775 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -0.551 3.227 -9.489 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -0.140 1.754 -9.241 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -9.886 1.293 -9.085 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -9.442 1.768 -8.348 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -10.424 0.613 -8.638 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -5.281 3.126 -11.091 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -5.464 2.254 -10.676 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -5.315 3.758 -10.343 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -2.998 2.276 -8.341 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -3.135 2.469 -9.281 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -2.045 2.446 -8.201 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -10.798 -3.315 -11.489 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -10.575 -4.254 -11.299 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -11.143 -3.334 -12.408 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -5.440 0.610 -10.007 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -5.006 0.273 -9.201 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -6.336 0.196 -9.987 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.695 -5.738 -7.660 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -7.928 -6.671 -7.852 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -8.401 -5.443 -7.049 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -7.793 -4.922 -10.252 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -8.662 -5.284 -10.531 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -7.709 -5.195 -9.310 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 3.747 0.752 -6.261 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 2.815 1.010 -6.355 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 4.192 1.578 -5.960 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -1.629 -1.292 -19.347 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -1.661 -1.693 -20.223 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.970 -1.837 -18.858 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 0.134 0.236 -10.039 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -0.474 0.397 -10.806 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 1.017 0.119 -10.458 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 2.562 -4.140 -8.704 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 3.422 -4.186 -9.189 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 2.433 -3.177 -8.554 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 1.763 -4.510 -15.924 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 2.485 -4.588 -15.267 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 1.120 -3.905 -15.501 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -11.182 -8.147 -6.541 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -11.374 -9.074 -6.820 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -12.036 -7.696 -6.617 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 3.319 -11.353 -6.542 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 3.751 -11.050 -5.707 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 3.640 -10.717 -7.220 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -8.882 -6.926 -15.908 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -9.124 -6.761 -16.845 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -8.677 -7.875 -15.880 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -10.627 -0.997 -15.666 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -10.678 -0.851 -16.616 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -9.655 -1.037 -15.477 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 3.799 -8.030 -10.624 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 4.325 -7.636 -11.348 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 4.303 -8.811 -10.360 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -8.322 -9.665 -16.361 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -9.168 -10.126 -16.369 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -8.119 -9.514 -17.316 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -12.370 1.998 -7.002 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -11.759 2.703 -6.694 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -13.082 2.478 -7.441 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -2.756 6.611 -11.313 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -3.619 6.311 -11.683 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -2.654 7.505 -11.650 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 3.164 -6.821 -8.262 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 3.290 -7.156 -9.180 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 3.054 -5.855 -8.374 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 1.848 -11.866 -14.847 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 2.408 -11.149 -15.229 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 2.186 -12.671 -15.259 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 3.258 -9.732 -15.785 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 3.180 -8.961 -15.180 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 3.417 -9.327 -16.672 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -8.615 -9.245 -21.405 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -9.210 -9.936 -21.719 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -8.419 -8.724 -22.190 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -3.175 -6.857 -17.778 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -2.671 -7.682 -17.594 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -2.503 -6.250 -18.163 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -3.583 -9.262 -15.024 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -3.456 -9.348 -15.987 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -4.555 -9.342 -14.901 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -3.258 -3.877 -23.150 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -3.180 -3.412 -23.990 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -4.182 -4.149 -23.113 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -8.797 -8.199 -8.181 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -8.661 -9.174 -8.150 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -9.656 -8.065 -7.731 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 4.195 8.231 -4.378 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 4.129 9.178 -4.215 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 4.501 8.166 -5.288 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -3.147 -1.543 -5.661 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.723 -0.797 -5.175 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -3.599 -1.109 -6.411 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -7.503 -0.031 -0.257 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -6.951 -0.272 0.519 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -6.866 0.285 -0.917 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -9.005 2.034 -1.393 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -8.788 1.428 -0.660 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -8.298 1.867 -2.051 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -2.163 0.568 2.433 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -2.550 -0.298 2.171 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -1.393 0.334 2.959 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 1.764 -7.058 2.295 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 1.039 -7.717 2.302 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 2.163 -7.132 3.184 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -3.334 -1.675 1.382 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -2.997 -2.589 1.535 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -3.217 -1.536 0.432 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -1.085 -5.680 -2.647 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -0.583 -5.066 -2.068 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -1.733 -5.095 -3.104 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 4.945 -8.481 6.771 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 4.693 -8.088 7.622 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 4.996 -9.444 6.962 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -1.884 0.512 -4.443 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.107 1.097 -4.421 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -2.195 0.492 -3.506 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -4.762 1.559 2.797 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -5.035 2.201 3.494 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -3.818 1.397 2.980 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -2.302 -8.003 -1.741 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -2.355 -8.394 -2.632 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -1.976 -7.091 -1.903 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -5.543 3.426 4.620 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -5.592 3.972 5.408 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.334 3.682 4.099 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -10.976 -2.023 -4.531 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -11.001 -1.048 -4.712 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -11.755 -2.371 -5.012 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 3.978 -10.829 2.339 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 3.209 -10.587 2.895 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 4.174 -10.008 1.835 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 3.198 3.447 -3.157 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 2.247 3.468 -3.319 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 3.433 4.391 -2.982 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -0.141 -2.187 -2.779 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 0.197 -2.790 -2.079 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 0.015 -1.287 -2.417 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -3.872 5.453 -1.551 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -2.962 5.448 -1.860 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -4.003 6.343 -1.209 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -9.139 -0.833 4.240 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -9.090 0.128 4.055 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -9.696 -0.894 5.040 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 2.147 -9.377 -2.467 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 2.098 -10.286 -2.118 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 1.715 -9.436 -3.346 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 4.584 3.205 -5.564 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 4.223 3.331 -4.664 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 5.482 3.600 -5.520 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -11.087 -0.933 6.230 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -11.656 -0.889 5.433 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -11.335 -1.782 6.655 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -10.787 0.885 2.004 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -11.532 1.492 1.781 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -10.230 1.405 2.631 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -11.045 2.741 -3.153 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -10.343 2.619 -2.473 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -11.861 2.900 -2.630 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 1.550 -5.371 9.971 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 1.933 -5.509 9.087 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 0.610 -5.182 9.795 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -9.937 1.557 6.536 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -9.971 1.776 7.469 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -10.373 0.678 6.479 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -0.204 -9.011 2.473 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 0.470 -9.582 2.914 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -0.867 -8.857 3.159 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -0.148 -7.640 8.120 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 0.124 -8.195 8.882 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -0.629 -6.890 8.533 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -7.097 -6.052 1.657 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -7.638 -5.424 2.184 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -6.348 -5.517 1.347 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -2.364 -3.494 -3.858 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -1.721 -2.922 -3.397 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -2.785 -2.898 -4.513 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -8.600 -4.188 2.900 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.978 -3.602 3.381 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -9.483 -3.938 3.251 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -8.300 -7.250 -4.888 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -8.994 -7.657 -4.334 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -8.277 -6.315 -4.597 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 0.568 -4.237 4.255 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -0.101 -4.691 4.818 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 1.277 -4.016 4.867 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -4.216 -7.135 0.024 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -3.534 -7.446 -0.604 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -4.659 -7.952 0.318 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -5.100 -4.600 0.243 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -4.320 -4.186 0.645 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -4.828 -5.541 0.115 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -11.093 -3.302 3.604 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -11.825 -3.599 4.185 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -11.127 -2.328 3.662 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.526 -7.252 -5.636 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.768 -7.100 -6.574 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.798 -6.427 -5.182 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 3.728 6.063 -2.778 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 3.847 6.786 -3.434 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 4.164 6.391 -1.987 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -2.264 0.493 -1.775 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.661 1.026 -1.059 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -1.302 0.542 -1.607 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -3.466 1.846 0.366 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -2.747 1.542 0.955 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -4.236 1.925 0.963 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.463 0.193 -7.378 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -5.069 0.635 -6.750 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -3.846 0.907 -7.657 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -12.066 -11.257 4.397 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -12.193 -10.797 5.250 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -12.665 -12.033 4.452 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 0.308 2.274 -4.236 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -0.199 3.089 -4.324 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 0.826 2.223 -5.074 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -9.214 1.926 3.931 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -9.401 1.987 4.896 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -8.627 2.690 3.749 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -2.482 5.498 -8.349 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -2.127 4.980 -9.098 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -1.955 6.304 -8.348 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -6.707 1.280 -2.831 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -6.473 1.344 -3.780 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -6.131 1.948 -2.396 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -2.465 -4.243 1.589 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -2.734 -4.921 2.223 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.516 -4.428 1.431 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -6.376 1.492 -5.669 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -7.292 1.552 -6.001 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -5.926 2.271 -6.077 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -5.040 5.206 -9.283 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -5.114 5.851 -10.005 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -4.172 5.411 -8.864 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 2.315 -6.694 7.533 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 1.396 -7.026 7.636 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 2.838 -7.246 8.147 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 0.343 -4.779 1.589 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 0.404 -4.375 2.487 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 0.870 -5.603 1.668 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -10.762 3.813 -5.672 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -10.796 4.770 -5.561 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -10.822 3.462 -4.752 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -11.202 0.607 -4.855 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -11.149 1.353 -4.221 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -11.651 0.989 -5.632 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -5.379 3.349 -7.327 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -5.478 4.135 -7.903 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.486 3.015 -7.539 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 1.485 2.365 -6.678 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 0.844 2.494 -7.416 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 2.221 2.958 -6.898 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -6.905 -2.327 4.052 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -7.716 -1.797 4.234 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -6.476 -1.853 3.313 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 2.585 -1.441 -8.546 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 2.508 -1.049 -9.439 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.488 -1.206 -8.261 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -3.359 -7.385 13.645 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -3.057 -6.495 13.931 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -4.311 -7.397 13.879 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -5.355 -3.054 6.283 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -5.713 -2.284 6.731 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -5.807 -3.053 5.413 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -5.894 -0.756 1.920 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -5.027 -1.183 1.757 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -5.658 0.122 2.301 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 0.726 -6.952 12.220 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 1.312 -7.193 12.971 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 1.238 -6.290 11.719 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -1.093 -5.491 6.022 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -1.897 -5.106 6.420 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -0.801 -6.150 6.669 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -1.317 -5.424 9.126 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -1.652 -5.801 9.978 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -2.119 -5.080 8.685 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 1.083 -8.832 10.243 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 0.841 -8.272 11.011 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 1.374 -9.692 10.653 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 2.009 -10.689 8.134 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 1.990 -10.958 9.078 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 1.377 -9.961 8.086 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -8.651 -6.540 11.471 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -9.625 -6.667 11.452 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -8.494 -5.823 10.849 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -3.523 -4.820 7.391 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -4.032 -4.080 6.982 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -4.135 -5.564 7.366 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -8.658 2.525 -6.959 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -8.018 3.219 -7.178 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -9.356 2.991 -6.453 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -13.528 3.158 -1.987 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -13.759 3.566 -1.122 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -14.038 3.665 -2.629 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 2.816 1.570 -1.143 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 3.556 1.607 -0.531 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 3.078 2.169 -1.874 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 0.499 0.455 -2.089 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 0.499 1.070 -2.850 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 1.319 0.688 -1.595 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 2.956 -5.015 -4.084 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 3.572 -4.426 -3.639 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 2.596 -5.576 -3.365 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 0.654 -4.218 -1.072 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 0.520 -4.264 -0.098 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 1.354 -4.874 -1.246 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 1.757 -6.631 -2.156 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 2.003 -7.584 -2.182 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 0.794 -6.633 -2.267 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -12.006 -5.232 9.666 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -11.993 -4.445 9.097 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -12.320 -5.943 9.080 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -1.247 -8.032 -4.403 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -0.872 -7.302 -3.883 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -0.478 -8.613 -4.593 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -12.223 -4.719 1.554 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -13.103 -4.313 1.681 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -11.666 -4.288 2.235 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 3.647 -10.262 13.415 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 3.188 -10.679 12.650 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 4.536 -10.655 13.399 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 1.111 -9.430 -5.029 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 1.360 -10.102 -5.680 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 1.660 -8.641 -5.275 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -10.478 -9.470 -1.134 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -11.347 -9.498 -1.582 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -10.098 -8.608 -1.414 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -7.730 4.116 3.101 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -8.172 4.965 3.010 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -7.542 3.843 2.167 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 4.707 -11.043 7.773 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 3.739 -10.936 7.898 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 4.806 -11.978 7.461 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -5.259 3.084 -1.321 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -4.869 3.959 -1.545 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -4.544 2.624 -0.835 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -7.405 3.586 0.454 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -6.594 3.495 -0.081 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -8.115 3.307 -0.146 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 1.820 -10.143 3.903 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 2.071 -10.868 4.526 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 2.149 -9.327 4.340 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 2.833 -7.823 4.980 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 3.681 -8.123 5.364 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 2.473 -7.216 5.656 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.408 -8.748 -3.975 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -10.637 -8.558 -4.911 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -11.276 -8.776 -3.519 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -1.114 -9.868 -0.013 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -1.564 -9.135 -0.484 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -0.739 -9.443 0.788 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -0.995 -11.289 -2.355 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -0.048 -11.544 -2.427 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -1.028 -10.718 -1.555 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -7.435 -9.757 -5.564 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -7.752 -10.008 -6.451 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -7.712 -8.820 -5.463 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -13.096 -11.188 8.489 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -12.947 -10.670 7.667 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -14.029 -11.003 8.722 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -8.498 -9.368 11.178 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.503 -8.394 11.138 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -7.670 -9.582 11.640 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.700 -2.589 22.272 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -1.700 -2.916 23.196 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -0.752 -2.575 22.027 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 2.072 -9.882 19.677 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 1.617 -10.730 19.784 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 2.776 -9.893 20.362 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -1.744 -7.322 18.978 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.848 -7.370 18.598 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -2.174 -6.590 18.491 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 1.117 -7.635 18.498 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 1.457 -8.512 18.797 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 1.723 -6.991 18.919 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 5.783 -6.806 23.028 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 6.670 -6.383 22.992 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 5.858 -7.466 23.749 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -6.029 -12.666 20.901 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -6.982 -12.875 20.866 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -5.773 -12.873 21.807 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 0.609 -2.291 16.452 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 1.116 -1.708 15.878 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 1.286 -2.897 16.841 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 2.319 -4.735 24.566 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 1.650 -5.070 25.214 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 2.143 -3.789 24.518 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -5.482 -9.692 20.307 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -5.911 -10.154 21.054 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -6.196 -9.121 19.938 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -3.661 -10.115 13.965 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -3.502 -9.142 13.969 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -2.917 -10.470 13.464 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -2.141 -0.685 20.316 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -2.116 -1.340 21.047 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -2.628 0.058 20.680 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -3.003 -2.405 12.810 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -3.081 -1.456 12.960 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -2.606 -2.477 11.934 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -2.097 -5.257 27.003 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -2.322 -5.492 27.933 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -2.780 -5.714 26.473 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 0.199 -5.137 20.639 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 0.355 -4.275 21.071 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 1.008 -5.290 20.121 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -6.303 -9.702 12.969 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -5.387 -10.013 12.883 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -6.217 -8.834 13.426 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -12.524 -8.789 17.161 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -11.615 -8.417 17.062 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -13.071 -8.224 16.595 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -10.836 -10.392 12.670 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -10.434 -10.162 11.815 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -10.122 -10.221 13.316 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 0.051 -1.842 19.133 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 0.052 -1.897 18.159 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -0.758 -1.326 19.346 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -2.891 -5.009 17.884 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -2.735 -4.242 18.449 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -2.253 -4.894 17.146 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -7.394 -8.387 16.683 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -8.358 -8.417 16.549 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -7.292 -8.254 17.647 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -5.669 -4.830 14.893 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.695 -4.805 14.736 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -6.006 -4.068 14.409 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -3.615 -6.549 25.021 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.798 -6.073 24.191 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.158 -7.357 24.957 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -8.383 -5.821 18.243 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -7.424 -5.716 18.027 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -8.653 -4.947 18.546 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 0.945 -2.613 21.513 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 0.673 -2.314 20.607 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 1.787 -2.171 21.662 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -1.867 -6.706 11.402 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.469 -7.023 12.102 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -0.972 -6.808 11.792 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 1.086 -6.390 16.070 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.037 -6.997 16.843 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 1.485 -6.940 15.359 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 7.875 -6.070 12.681 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 7.536 -6.966 12.884 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 7.115 -5.609 12.310 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 2.246 -4.240 17.344 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 1.954 -4.993 16.788 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 2.406 -4.640 18.217 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.029 -4.715 14.279 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -2.971 -3.904 13.725 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -2.251 -4.652 14.879 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -1.410 -4.085 24.558 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -1.734 -4.039 25.479 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -0.825 -4.868 24.553 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -5.923 -7.538 14.577 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -5.995 -6.560 14.633 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -6.404 -7.859 15.379 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 2.617 -8.209 23.842 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 2.677 -7.457 23.217 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 2.726 -7.791 24.725 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 2.794 -5.761 19.657 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 3.702 -5.639 19.290 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 2.941 -5.851 20.630 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -9.079 -10.355 20.496 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -10.010 -10.169 20.228 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -9.000 -11.326 20.415 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -3.169 -9.648 26.377 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -3.206 -10.609 26.471 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -3.755 -9.457 25.611 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -3.838 -8.038 21.687 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -4.080 -7.126 21.463 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -4.363 -8.589 21.059 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -2.932 -5.238 22.556 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -2.937 -4.504 21.923 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -2.421 -4.890 23.316 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 0.640 -5.468 26.530 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 0.967 -6.099 27.203 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -0.304 -5.338 26.764 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -4.700 -9.042 24.115 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -4.274 -8.743 23.283 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -5.558 -9.398 23.825 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -2.918 -6.272 29.440 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -2.905 -7.254 29.413 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -3.375 -6.064 30.257 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -0.983 -6.835 24.386 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -0.536 -7.439 25.022 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -1.894 -6.757 24.739 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 1.859 -7.200 28.277 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 2.002 -7.014 29.213 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 1.445 -8.089 28.270 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -1.395 -11.336 28.238 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -0.499 -10.953 28.326 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -1.343 -11.880 27.423 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -2.897 -9.044 29.132 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -2.188 -9.701 29.216 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -3.114 -9.051 28.180 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 3.949 -6.178 11.431 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 3.252 -5.632 11.024 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 4.050 -6.929 10.817 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 5.142 -5.046 18.377 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 4.899 -4.224 17.930 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 6.106 -4.940 18.567 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 2.463 -7.873 14.180 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 3.336 -7.431 14.235 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.684 -8.803 13.952 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 5.046 -7.333 16.787 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 5.087 -6.519 17.332 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 5.044 -7.003 15.865 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 3.274 -6.007 22.325 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.221 -6.176 22.541 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 2.956 -5.444 23.067 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 3.507 -6.915 26.080 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 3.344 -5.992 25.817 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 3.011 -7.015 26.923 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 3.391 -10.814 27.639 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 3.640 -11.739 27.865 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 3.350 -10.811 26.662 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -0.933 -4.538 15.993 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -0.450 -3.690 16.101 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -0.219 -5.216 15.953 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -7.609 -8.291 19.417 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -8.289 -8.865 19.833 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -8.062 -7.435 19.285 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 5.315 -8.710 25.035 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 4.817 -7.984 25.472 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 4.658 -9.430 24.949 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 6.428 -11.274 13.856 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 6.481 -11.945 13.148 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 7.259 -11.398 14.365 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -10.088 -7.596 16.728 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -10.024 -7.323 15.785 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -9.584 -6.908 17.212 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -13.787 -10.387 21.173 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -14.526 -10.883 20.764 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -14.124 -10.133 22.037 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 3.308 -10.633 24.884 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 2.788 -9.880 24.523 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 2.836 -11.434 24.549 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -8.714 -9.726 14.278 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -7.891 -9.797 13.754 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -8.957 -8.782 14.217 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -5.728 -5.321 17.613 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -5.756 -5.151 16.651 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -4.775 -5.308 17.829 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 0.853 -10.076 31.107 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.713 -9.842 32.028 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.071 -11.039 31.133 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -0.536 -8.756 26.304 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -1.461 -9.060 26.412 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -0.067 -9.138 27.070 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 0.934 -9.810 28.424 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 1.820 -10.181 28.199 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 0.886 -9.886 29.411 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 8.244 -32.534 9.677 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 8.538 -31.711 9.230 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 8.524 -32.411 10.616 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 7.235 -31.993 6.410 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 7.403 -32.922 6.687 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 6.331 -31.807 6.750 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 7.967 -30.658 4.179 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 7.545 -29.805 4.413 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 7.727 -31.253 4.927 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 11.108 -29.061 12.853 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 11.844 -28.585 13.291 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 11.091 -28.692 11.955 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 8.280 -28.450 10.218 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 8.584 -27.766 9.589 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 8.287 -29.274 9.690 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 8.630 -30.309 8.136 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 8.174 -30.851 7.459 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 9.328 -29.833 7.631 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.335 -28.804 6.619 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 9.961 -28.097 6.046 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 11.061 -29.191 6.075 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 10.437 -31.450 3.310 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 10.306 -32.401 3.293 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 9.593 -31.096 3.665 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 8.825 -27.746 27.399 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 9.673 -27.390 27.742 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 8.960 -27.796 26.442 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 5.168 -32.090 21.192 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.037 -32.248 20.756 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 4.701 -32.941 21.111 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 10.142 -30.327 17.258 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 10.501 -30.402 18.162 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 9.177 -30.461 17.375 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 8.983 -33.148 25.267 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 8.158 -32.648 25.465 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 9.060 -33.770 25.991 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 9.952 -31.036 14.517 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 10.470 -30.396 13.984 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 10.192 -30.825 15.444 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.077 -34.464 21.699 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 7.269 -34.405 22.267 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 8.367 -35.375 21.799 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 8.578 -32.128 12.332 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 7.784 -32.319 12.847 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 9.235 -31.852 13.000 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 7.417 -31.931 15.167 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 8.369 -31.807 14.972 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 7.340 -31.710 16.124 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 7.060 -28.147 29.465 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 7.446 -28.417 30.329 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 7.844 -28.014 28.880 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 10.129 -29.217 32.466 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 10.430 -28.312 32.702 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 10.838 -29.788 32.772 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 13.050 -27.516 14.093 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 14.001 -27.592 14.227 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 12.660 -27.802 14.958 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 7.523 -34.333 7.754 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 7.823 -33.759 8.495 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.724 -35.224 8.050 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 7.438 -30.815 17.651 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 6.891 -30.026 17.842 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 7.353 -31.371 18.459 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 6.655 -31.892 25.878 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.294 -31.329 26.574 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 5.983 -31.851 25.163 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 5.792 -34.313 23.132 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 5.581 -33.530 23.671 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 4.944 -34.536 22.694 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 3.818 -28.345 21.846 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 4.741 -28.085 21.973 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 3.839 -28.912 21.042 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 7.558 -32.425 19.922 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 7.768 -33.259 20.395 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.366 -31.873 20.046 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 9.839 -31.008 20.337 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 10.567 -30.354 20.297 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 9.884 -31.364 21.257 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 9.596 -32.332 22.713 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 9.133 -33.099 22.330 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 9.522 -32.471 23.681 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 6.410 -29.555 14.344 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 6.836 -30.393 14.617 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 7.146 -29.025 13.970 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 5.833 -30.002 34.048 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 5.243 -30.664 33.605 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 6.258 -30.502 34.754 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 2.106 -28.895 31.842 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 1.926 -29.860 31.815 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 3.046 -28.822 31.569 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 7.455 -28.841 32.127 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 7.054 -29.311 32.885 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 8.419 -29.044 32.201 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.764 -19.192 1.705 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 8.003 -18.908 2.266 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 9.459 -19.411 2.349 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.255 -15.603 3.558 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 11.208 -15.697 2.587 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 10.546 -16.179 3.882 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 3.891 -23.981 -0.984 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 4.794 -24.004 -0.584 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 3.369 -23.443 -0.360 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.871 -21.674 0.787 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.846 -22.041 1.678 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.246 -20.783 0.907 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 8.304 -25.882 -0.320 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.158 -26.208 -0.614 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 7.864 -26.673 0.067 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 12.048 -29.694 4.691 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 11.518 -30.320 4.152 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 12.774 -29.444 4.117 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 7.608 -26.702 3.306 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 7.574 -27.161 2.440 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 7.131 -27.308 3.916 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 9.941 -19.298 4.308 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 9.501 -19.666 5.103 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 9.672 -18.356 4.306 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 6.896 -17.919 -0.046 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.060 -17.105 0.482 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 7.641 -18.501 0.182 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 9.075 -17.136 7.564 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 9.146 -16.146 7.548 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 9.893 -17.422 7.996 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 8.511 -19.671 6.636 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 8.227 -20.052 7.492 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.649 -18.725 6.832 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 9.490 -14.503 7.274 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 10.251 -14.212 6.723 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 8.776 -13.860 7.051 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 8.872 -16.760 4.703 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 8.526 -15.884 4.398 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.870 -16.691 5.674 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 21.543 -29.840 -2.259 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 20.753 -29.922 -2.794 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 21.655 -30.704 -1.863 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 7.202 -24.074 2.672 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 7.423 -25.027 2.784 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 6.813 -24.024 1.773 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 6.468 -21.519 6.260 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 5.841 -21.087 5.641 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 7.318 -21.071 6.088 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 4.334 -24.385 -3.640 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 5.128 -24.924 -3.709 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 4.238 -24.221 -2.674 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 10.355 -19.590 10.735 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 9.602 -19.161 11.187 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 11.124 -19.298 11.231 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.158 -23.301 4.593 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 8.514 -23.507 3.888 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 9.854 -22.775 4.135 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.964 -21.634 3.351 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 10.703 -20.771 3.743 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 11.759 -21.435 2.848 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 4.899 -20.313 4.395 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 4.293 -21.075 4.550 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 4.922 -20.227 3.427 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 7.155 -28.015 0.921 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 7.248 -28.992 0.989 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 6.222 -27.840 1.179 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 7.219 -15.709 1.548 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 7.587 -15.308 2.365 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 6.380 -15.219 1.405 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 6.539 -13.092 11.584 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 5.577 -12.845 11.494 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 6.956 -12.731 10.770 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 8.148 -12.490 9.456 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 8.847 -13.150 9.355 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 7.760 -12.415 8.555 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 7.001 -20.541 8.780 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 7.381 -21.364 9.164 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 6.475 -20.861 8.018 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 9.714 -24.296 7.069 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.535 -23.797 6.234 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 10.398 -23.773 7.517 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 10.386 -26.826 11.069 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 9.516 -27.234 11.213 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 10.399 -26.635 10.107 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.300 -26.590 5.470 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 9.435 -25.689 5.815 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.832 -26.454 4.620 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.069 -23.048 9.013 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.895 -22.819 9.497 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.360 -23.692 8.348 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.671 -26.806 8.443 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 9.679 -26.010 7.876 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.980 -27.525 7.850 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 10.416 -22.279 10.087 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.645 -22.599 10.981 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 10.424 -21.303 10.175 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.465 -28.289 13.040 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 9.362 -28.683 13.069 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.162 -28.452 12.121 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 11.352 -25.549 13.222 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 12.047 -26.149 13.566 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 11.069 -25.971 12.376 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 3.777 -8.407 0.958 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 3.128 -7.816 1.391 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 3.702 -8.194 0.022 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.856 -14.368 3.861 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 8.550 -13.663 3.845 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 7.017 -13.868 3.949 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 6.943 -18.460 3.550 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 6.325 -18.854 4.188 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 7.403 -17.765 4.055 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 6.482 -23.868 -0.051 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 7.173 -24.534 -0.272 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 6.978 -23.022 0.030 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.513 -13.756 5.528 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.440 -13.497 5.550 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 11.466 -14.419 4.793 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.579 -12.608 6.813 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 6.635 -12.808 6.629 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.770 -11.817 6.264 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 9.577 -12.321 4.150 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 10.332 -12.658 4.667 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 9.310 -11.504 4.617 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 5.474 -12.825 3.973 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 5.173 -12.981 4.899 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 5.038 -11.993 3.715 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 9.878 -16.573 1.320 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 9.688 -17.512 1.184 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 9.006 -16.142 1.260 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.850 -22.016 21.718 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 9.404 -21.223 21.512 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.556 -22.328 20.833 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 6.971 -13.638 22.016 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 6.460 -12.990 22.541 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 6.807 -14.492 22.471 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 6.895 -20.627 23.094 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 6.332 -21.381 23.365 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 7.619 -21.041 22.592 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 11.152 -21.519 18.495 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 11.559 -20.825 17.932 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.774 -21.014 19.251 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 11.642 -29.080 19.607 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 11.213 -28.282 19.235 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 12.581 -28.888 19.558 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.308 -22.776 19.176 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 9.085 -22.435 18.703 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 7.641 -22.908 18.476 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 10.323 -20.070 20.639 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 9.880 -19.443 20.020 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.964 -19.512 21.128 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 12.129 -18.544 22.042 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 13.081 -18.415 22.072 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.917 -18.983 22.906 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 9.270 -18.858 18.436 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.532 -18.751 17.796 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 10.033 -18.478 17.980 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 6.674 -15.696 23.789 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 6.542 -16.663 23.936 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 6.178 -15.275 24.516 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 5.503 -12.092 23.725 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 5.528 -12.807 24.396 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 4.775 -11.520 24.021 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.579 -26.866 18.257 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 10.784 -25.909 18.148 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 9.687 -26.958 17.899 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.211 -22.586 23.157 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 10.315 -22.323 22.878 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.652 -22.850 22.318 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 12.293 -19.106 17.497 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.004 -18.170 17.521 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.250 -19.060 17.572 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.001 -22.911 12.777 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.746 -22.604 13.304 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.025 -23.891 12.877 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.737 -24.169 17.780 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 10.026 -24.056 17.113 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 11.050 -23.257 17.949 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 8.695 -21.894 14.016 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.432 -22.200 13.449 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 8.732 -22.485 14.794 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 5.859 -21.722 13.951 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 6.704 -22.125 13.690 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 6.089 -20.795 14.135 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 9.114 -15.578 22.372 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 8.949 -14.633 22.260 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 8.391 -15.878 22.954 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 5.884 -28.514 18.278 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 6.411 -28.113 18.996 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 5.212 -29.053 18.749 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.864 -23.345 20.596 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.749 -24.105 20.014 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 11.778 -22.578 20.003 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 10.466 -17.018 20.544 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 11.098 -17.523 21.100 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.976 -16.458 21.193 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.309 -21.067 29.154 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.760 -20.616 28.431 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 14.610 -22.008 29.074 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 12.727 -12.017 19.618 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 13.483 -11.743 20.144 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.338 -11.176 19.299 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 11.125 -11.927 16.534 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.050 -12.651 17.195 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 11.918 -12.148 16.033 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 8.627 -13.931 19.883 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.404 -14.886 19.820 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.061 -13.604 20.620 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 8.129 -15.203 12.196 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 7.752 -14.321 11.995 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 8.624 -15.059 13.040 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 9.142 -14.334 14.505 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 9.052 -14.674 15.420 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 9.150 -13.359 14.609 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.023 -11.606 14.795 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.675 -11.582 15.530 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 9.320 -10.890 14.190 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 8.967 -25.963 14.551 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 9.814 -25.768 14.100 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 8.641 -26.770 14.104 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.515 -18.099 16.492 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 7.748 -17.217 16.176 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.451 -18.639 15.674 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.794 -15.405 16.989 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.311 -15.704 17.788 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 9.711 -15.699 17.146 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 6.278 -10.344 27.033 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 5.423 -10.357 27.491 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 6.134 -9.748 26.271 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 7.647 -16.545 26.824 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 7.792 -15.581 26.938 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 7.804 -16.700 25.879 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 8.405 -17.950 11.843 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 7.925 -17.967 10.988 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 8.476 -16.995 12.056 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 10.951 -20.195 26.866 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.010 -19.420 27.456 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 11.110 -20.954 27.457 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 7.538 -19.384 14.077 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 8.052 -20.224 14.063 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 7.845 -18.904 13.281 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 11.687 -20.022 24.230 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.396 -20.015 25.169 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 11.644 -20.961 23.974 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 11.728 -22.127 28.752 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.609 -21.760 28.950 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.919 -23.004 28.350 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.237 -24.482 24.860 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 12.383 -25.160 24.194 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 11.911 -23.709 24.348 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 12.407 -24.495 27.577 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 12.360 -24.487 26.590 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 11.860 -25.268 27.837 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 14.806 -23.619 28.527 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 15.439 -24.331 28.408 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 13.960 -23.990 28.188 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 11.043 -26.666 28.595 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 11.692 -27.254 28.997 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 10.540 -26.297 29.369 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 10.694 -26.650 33.313 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 11.144 -25.915 33.789 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.869 -26.796 33.829 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 6.778 -18.310 24.517 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 6.805 -19.025 23.838 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 6.696 -18.786 25.353 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 7.502 -13.815 27.306 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 7.973 -12.954 27.433 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 6.958 -13.908 28.106 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 6.738 -10.714 21.198 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 6.756 -9.746 21.339 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.526 -11.078 22.075 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 7.834 -16.503 19.323 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 7.151 -17.123 19.031 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 8.562 -17.079 19.633 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 11.242 -16.566 17.979 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.963 -16.773 18.904 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 11.466 -15.612 18.010 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 11.085 -13.860 18.523 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.270 -13.867 19.069 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 11.710 -13.291 19.033 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 11.865 -28.396 16.335 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 11.570 -27.725 16.976 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 11.337 -29.189 16.566 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.549 -23.810 16.120 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.609 -24.603 15.530 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 7.638 -23.839 16.467 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 9.839 -25.753 30.809 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.826 -24.768 30.865 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 10.145 -26.037 31.695 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 7.113 -17.862 9.442 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 7.652 -17.559 8.683 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 6.963 -18.820 9.261 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 3.133 -19.280 33.306 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 4.088 -19.053 33.318 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 3.034 -19.929 34.031 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 11.031 -19.657 34.909 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.605 -19.047 35.385 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 10.118 -19.393 35.186 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 8.558 -19.153 35.920 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 7.780 -18.566 35.820 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.244 -19.863 36.491 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 11.344 -18.468 28.996 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.811 -18.937 29.724 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 11.724 -17.582 29.004 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 5.055 -21.502 32.400 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 5.111 -22.101 33.177 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 5.294 -20.618 32.764 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 8.836 -24.269 36.754 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 9.555 -24.812 37.091 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.290 -23.514 36.320 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 10.037 -23.017 30.808 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 10.106 -22.326 31.493 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 10.551 -22.660 30.058 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 5.171 -22.935 34.668 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 4.339 -23.451 34.563 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 5.806 -23.585 35.046 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.138 -22.277 35.374 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 10.595 -21.416 35.335 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 9.297 -22.124 34.876 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 11.646 -24.513 34.753 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 11.076 -23.724 34.873 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 12.537 -24.184 34.890 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.685 -20.794 32.401 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.917 -20.452 33.289 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 11.396 -20.454 31.820 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 5.709 -25.595 32.748 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 5.266 -26.335 33.210 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.162 -25.113 33.457 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.156 -19.833 32.182 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 9.052 -20.193 32.358 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 8.213 -19.509 31.254 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.745 -19.031 29.642 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.678 -18.824 29.427 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.279 -18.929 28.792 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.231 -27.062 34.333 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 7.804 -27.343 33.509 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 7.675 -26.331 34.656 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.811 -19.699 30.959 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.473 -19.363 31.571 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 13.324 -20.270 30.338 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 8.693 -11.402 27.655 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 7.843 -10.949 27.442 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 9.336 -10.691 27.697 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 6.619 -25.082 35.473 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 7.406 -24.774 35.994 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 6.049 -25.522 36.137 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 4.707 -27.498 34.485 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 5.108 -28.391 34.404 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 4.835 -27.262 35.428 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 4.759 -28.689 31.037 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 5.324 -28.305 30.341 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 5.373 -28.852 31.773 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 5.227 -0.560 -8.045 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 5.884 -1.084 -7.571 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 4.765 -0.051 -7.332 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 7.161 4.203 -5.399 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 7.675 4.325 -4.595 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 7.794 4.343 -6.110 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 4.394 -9.300 -7.946 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 3.926 -8.441 -7.982 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 5.227 -9.097 -7.508 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 4.141 -4.943 -14.466 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 4.690 -5.077 -15.248 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 4.401 -5.668 -13.864 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 5.883 -9.055 -14.561 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.218 -9.604 -15.002 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 6.739 -9.394 -14.905 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 4.195 -10.565 -4.112 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 3.734 -9.903 -3.575 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 4.662 -11.126 -3.449 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.212 -10.106 -15.583 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 9.092 -9.834 -15.300 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 8.369 -10.865 -16.152 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 8.624 -10.281 5.720 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 8.037 -9.602 5.308 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.155 -9.781 6.346 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 3.631 -8.239 9.513 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 4.236 -8.951 9.814 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 2.754 -8.501 9.880 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 7.056 -8.206 4.989 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 6.823 -7.574 4.302 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 6.283 -8.204 5.592 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 5.376 -10.295 10.284 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 5.326 -10.610 9.354 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 4.787 -10.916 10.777 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 7.995 -10.116 10.969 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 7.046 -10.045 10.717 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.309 -10.900 10.477 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.421 -5.697 13.490 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.479 -5.812 13.222 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 10.697 -4.897 13.039 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 10.919 -4.521 18.289 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 11.433 -4.159 17.560 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.990 -5.497 18.171 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 7.837 -4.544 18.660 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 8.296 -4.275 19.479 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.555 -4.723 18.038 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 9.083 -7.654 19.970 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 9.073 -8.614 19.777 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 9.677 -7.282 19.288 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 9.706 -3.918 20.671 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.210 -3.237 21.127 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 10.247 -4.126 19.874 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 8.747 -10.344 19.303 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 8.481 -10.936 18.563 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 8.147 -10.596 20.034 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 6.794 -8.597 13.029 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.211 -8.959 12.225 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.591 -9.389 13.565 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 4.945 -6.783 14.011 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 5.626 -7.438 13.744 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 4.609 -6.431 13.157 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.896 -7.221 17.866 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 10.771 -7.352 16.895 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 11.259 -8.076 18.173 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.615 -7.782 15.209 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.184 -8.462 14.669 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 10.643 -6.992 14.622 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.032 -12.454 17.711 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.160 -13.050 16.964 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.232 -13.009 18.496 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 6.445 -8.057 20.742 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 6.348 -7.464 21.520 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 7.213 -7.685 20.254 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 8.208 -5.864 21.935 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 8.642 -5.027 21.672 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 8.620 -6.535 21.354 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 3.924 -9.474 21.698 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 4.643 -8.845 21.529 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 3.511 -9.150 22.520 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 11.338 -9.909 18.467 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 11.305 -10.399 17.621 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 10.451 -10.056 18.863 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.824 -9.638 13.036 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 10.599 -9.274 12.597 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 9.165 -9.741 12.315 1.00 0.00 WAT1 END