REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1272.44, 61.507, 71.3548, 35.4387, 399.477, -361.645, -1483.96, 5.29275, 0.103099 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.664034E-03,0.432719,1.18269,42.4273,6.601492E-03,0.132084 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 30, 7 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:42 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.867 0.450 -1.599 1.00 10.32 ATOM 2 CB MET 1 5.829 1.293 -1.376 1.00 25.31 ATOM 3 HB1 MET 1 5.988 1.461 -2.433 1.00 37.64 ATOM 4 HB2 MET 1 6.768 1.006 -0.925 1.00 5.43 ATOM 5 CG MET 1 5.386 2.609 -0.748 1.00 4.32 ATOM 6 HG1 MET 1 5.312 2.477 0.322 1.00 37.64 ATOM 7 HG2 MET 1 4.416 2.876 -1.143 1.00 53.04 ATOM 8 SD MET 1 6.533 3.962 -1.085 1.00 64.13 ATOM 9 CE MET 1 6.377 4.102 -2.866 1.00 35.23 ATOM 10 HE1 MET 1 7.036 4.879 -3.225 1.00 12.00 ATOM 11 HE2 MET 1 5.358 4.350 -3.120 1.00 5.24 ATOM 12 HE3 MET 1 6.644 3.162 -3.326 1.00 54.41 ATOM 13 C MET 1 5.303 -1.087 -1.996 1.00 31.42 ATOM 14 O MET 1 6.191 -0.982 -2.846 1.00 41.13 ATOM 15 N MET 1 4.640 -0.174 0.245 1.00 0.00 ATOM 16 HT1 MET 1 4.272 0.658 0.750 1.00 37.64 ATOM 17 HT2 MET 1 5.549 -0.444 0.674 1.00 37.64 ATOM 18 HT3 MET 1 3.967 -0.959 0.365 1.00 37.64 ATOM 19 CA MET 1 4.823 0.141 -1.203 1.00 52.33 ATOM 20 N GLY 2 4.703 -2.244 -1.727 1.00 70.20 ATOM 21 HN GLY 2 3.998 -2.274 -1.045 1.00 37.64 ATOM 22 CA GLY 2 5.068 -3.465 -2.437 1.00 10.04 ATOM 23 HA1 GLY 2 4.746 -4.314 -1.851 1.00 37.64 ATOM 24 HA2 GLY 2 6.144 -3.505 -2.537 1.00 3.12 ATOM 25 C GLY 2 4.443 -3.561 -3.826 1.00 3.42 ATOM 26 O GLY 2 3.484 -2.855 -4.137 1.00 44.41 ATOM 27 N HIS 3 4.986 -4.443 -4.662 1.00 54.03 ATOM 28 HN HIS 3 5.744 -4.982 -4.353 1.00 37.64 ATOM 29 CA HIS 3 4.473 -4.641 -6.023 1.00 40.40 ATOM 30 HA HIS 3 4.003 -3.722 -6.344 1.00 54.20 ATOM 31 CB HIS 3 5.628 -4.972 -6.975 1.00 51.40 ATOM 32 HB1 HIS 3 5.237 -5.094 -7.977 1.00 37.64 ATOM 33 HB2 HIS 3 6.092 -5.896 -6.663 1.00 71.20 ATOM 34 CG HIS 3 6.691 -3.919 -7.022 1.00 4.24 ATOM 35 ND1 HIS 3 6.751 -2.955 -8.001 1.00 13.43 ATOM 36 HD1 HIS 3 6.119 -2.855 -8.746 1.00 72.53 ATOM 37 CD2 HIS 3 7.750 -3.689 -6.210 1.00 12.22 ATOM 38 HD2 HIS 3 8.017 -4.257 -5.329 1.00 4.30 ATOM 39 CE1 HIS 3 7.795 -2.181 -7.793 1.00 24.05 ATOM 40 HE1 HIS 3 8.089 -1.339 -8.403 1.00 71.50 ATOM 41 NE2 HIS 3 8.418 -2.603 -6.714 1.00 54.25 ATOM 42 HE2 HIS 3 9.306 -2.303 -6.424 1.00 37.64 ATOM 43 C HIS 3 3.434 -5.771 -6.066 1.00 12.54 ATOM 44 O HIS 3 2.606 -5.840 -6.975 1.00 13.02 ATOM 45 N HIS 4 3.488 -6.658 -5.076 1.00 63.42 ATOM 46 HN HIS 4 4.131 -6.517 -4.347 1.00 37.64 ATOM 47 CA HIS 4 2.608 -7.828 -5.034 1.00 44.23 ATOM 48 HA HIS 4 2.521 -8.201 -6.045 1.00 53.42 ATOM 49 CB HIS 4 3.237 -8.926 -4.168 1.00 45.12 ATOM 50 HB1 HIS 4 2.491 -9.676 -3.945 1.00 37.64 ATOM 51 HB2 HIS 4 3.590 -8.491 -3.245 1.00 10.12 ATOM 52 CG HIS 4 4.395 -9.609 -4.827 1.00 23.44 ATOM 53 ND1 HIS 4 4.462 -10.973 -4.999 1.00 1.43 ATOM 54 HD1 HIS 4 3.786 -11.622 -4.703 1.00 54.34 ATOM 55 CD2 HIS 4 5.536 -9.111 -5.364 1.00 42.32 ATOM 56 HD2 HIS 4 5.823 -8.070 -5.408 1.00 44.11 ATOM 57 CE1 HIS 4 5.586 -11.287 -5.608 1.00 1.24 ATOM 58 HE1 HIS 4 5.904 -12.284 -5.872 1.00 15.54 ATOM 59 NE2 HIS 4 6.255 -10.177 -5.843 1.00 63.51 ATOM 60 HE2 HIS 4 7.163 -10.132 -6.214 1.00 37.64 ATOM 61 C HIS 4 1.200 -7.482 -4.526 1.00 50.53 ATOM 62 O HIS 4 1.006 -7.128 -3.359 1.00 34.42 ATOM 63 N HIS 5 0.220 -7.593 -5.421 1.00 41.15 ATOM 64 HN HIS 5 0.447 -7.837 -6.345 1.00 37.64 ATOM 65 CA HIS 5 -1.184 -7.376 -5.069 1.00 23.21 ATOM 66 HA HIS 5 -1.225 -6.559 -4.362 1.00 42.02 ATOM 67 CB HIS 5 -1.987 -6.990 -6.316 1.00 31.34 ATOM 68 HB1 HIS 5 -3.033 -6.913 -6.056 1.00 37.64 ATOM 69 HB2 HIS 5 -1.864 -7.754 -7.070 1.00 11.10 ATOM 70 CG HIS 5 -1.559 -5.679 -6.908 1.00 13.43 ATOM 71 ND1 HIS 5 -0.439 -5.539 -7.700 1.00 20.41 ATOM 72 HD1 HIS 5 0.179 -6.257 -7.954 1.00 3.30 ATOM 73 CD2 HIS 5 -2.103 -4.443 -6.813 1.00 20.24 ATOM 74 HD2 HIS 5 -2.994 -4.176 -6.263 1.00 32.21 ATOM 75 CE1 HIS 5 -0.312 -4.280 -8.064 1.00 62.23 ATOM 76 HE1 HIS 5 0.470 -3.881 -8.692 1.00 53.42 ATOM 77 NE2 HIS 5 -1.307 -3.592 -7.540 1.00 63.41 ATOM 78 HE2 HIS 5 -1.376 -2.614 -7.541 1.00 37.64 ATOM 79 C HIS 5 -1.776 -8.628 -4.402 1.00 12.44 ATOM 80 O HIS 5 -1.249 -9.734 -4.549 1.00 15.33 ATOM 81 N HIS 6 -2.873 -8.455 -3.670 1.00 64.12 ATOM 82 HN HIS 6 -3.323 -7.581 -3.680 1.00 37.64 ATOM 83 CA HIS 6 -3.439 -9.543 -2.860 1.00 21.13 ATOM 84 HA HIS 6 -3.152 -10.479 -3.319 1.00 5.42 ATOM 85 CB HIS 6 -2.844 -9.488 -1.444 1.00 34.24 ATOM 86 HB1 HIS 6 -1.869 -9.955 -1.453 1.00 37.64 ATOM 87 HB2 HIS 6 -3.487 -10.027 -0.762 1.00 13.31 ATOM 88 CG HIS 6 -2.682 -8.091 -0.923 1.00 1.21 ATOM 89 ND1 HIS 6 -1.519 -7.368 -1.076 1.00 74.23 ATOM 90 HD1 HIS 6 -0.697 -7.689 -1.504 1.00 62.24 ATOM 91 CD2 HIS 6 -3.544 -7.273 -0.270 1.00 54.11 ATOM 92 HD2 HIS 6 -4.556 -7.511 0.027 1.00 32.23 ATOM 93 CE1 HIS 6 -1.672 -6.173 -0.547 1.00 63.44 ATOM 94 HE1 HIS 6 -0.925 -5.394 -0.525 1.00 3.11 ATOM 95 NE2 HIS 6 -2.890 -6.086 -0.053 1.00 33.25 ATOM 96 HE2 HIS 6 -3.321 -5.246 0.211 1.00 37.64 ATOM 97 C HIS 6 -4.972 -9.485 -2.798 1.00 11.33 ATOM 98 O HIS 6 -5.577 -8.431 -2.991 1.00 0.12 ATOM 99 N HIS 7 -5.591 -10.627 -2.513 1.00 62.54 ATOM 100 HN HIS 7 -5.054 -11.426 -2.333 1.00 37.64 ATOM 101 CA HIS 7 -7.053 -10.723 -2.444 1.00 73.12 ATOM 102 HA HIS 7 -7.468 -9.893 -3.000 1.00 12.35 ATOM 103 CB HIS 7 -7.530 -12.034 -3.083 1.00 64.43 ATOM 104 HB1 HIS 7 -8.606 -12.099 -2.994 1.00 37.64 ATOM 105 HB2 HIS 7 -7.083 -12.865 -2.557 1.00 54.03 ATOM 106 CG HIS 7 -7.179 -12.170 -4.536 1.00 3.32 ATOM 107 ND1 HIS 7 -7.931 -11.617 -5.546 1.00 63.40 ATOM 108 HD1 HIS 7 -8.756 -11.093 -5.429 1.00 41.44 ATOM 109 CD2 HIS 7 -6.150 -12.807 -5.148 1.00 62.14 ATOM 110 HD2 HIS 7 -5.356 -13.358 -4.662 1.00 3.34 ATOM 111 CE1 HIS 7 -7.387 -11.905 -6.710 1.00 2.34 ATOM 112 HE1 HIS 7 -7.760 -11.594 -7.674 1.00 54.12 ATOM 113 NE2 HIS 7 -6.306 -12.627 -6.501 1.00 41.43 ATOM 114 HE2 HIS 7 -5.857 -13.159 -7.193 1.00 37.64 ATOM 115 C HIS 7 -7.556 -10.644 -0.993 1.00 54.25 ATOM 116 O HIS 7 -6.910 -11.140 -0.072 1.00 72.01 ATOM 117 N HIS 8 -8.712 -10.011 -0.803 1.00 42.35 ATOM 118 HN HIS 8 -9.144 -9.570 -1.568 1.00 37.64 ATOM 119 CA HIS 8 -9.361 -9.949 0.515 1.00 32.34 ATOM 120 HA HIS 8 -8.588 -10.021 1.270 1.00 40.02 ATOM 121 CB HIS 8 -10.098 -8.613 0.684 1.00 4.32 ATOM 122 HB1 HIS 8 -10.677 -8.641 1.597 1.00 37.64 ATOM 123 HB2 HIS 8 -10.765 -8.470 -0.153 1.00 33.11 ATOM 124 CG HIS 8 -9.186 -7.426 0.752 1.00 63.14 ATOM 125 ND1 HIS 8 -8.952 -6.589 -0.316 1.00 72.04 ATOM 126 HD1 HIS 8 -9.332 -6.683 -1.216 1.00 42.24 ATOM 127 CD2 HIS 8 -8.462 -6.924 1.781 1.00 45.44 ATOM 128 HD2 HIS 8 -8.403 -7.329 2.781 1.00 14.43 ATOM 129 CE1 HIS 8 -8.129 -5.628 0.052 1.00 63.55 ATOM 130 HE1 HIS 8 -7.770 -4.829 -0.579 1.00 23.22 ATOM 131 NE2 HIS 8 -7.817 -5.806 1.319 1.00 60.14 ATOM 132 HE2 HIS 8 -7.416 -5.117 1.890 1.00 37.64 ATOM 133 C HIS 8 -10.342 -11.118 0.706 1.00 15.52 ATOM 134 O HIS 8 -10.734 -11.438 1.829 1.00 71.32 ATOM 135 N SER 9 -10.749 -11.738 -0.400 1.00 22.14 ATOM 136 HN SER 9 -10.454 -11.395 -1.269 1.00 37.64 ATOM 137 CA SER 9 -11.651 -12.900 -0.362 1.00 52.21 ATOM 138 HA SER 9 -12.474 -12.663 0.299 1.00 13.34 ATOM 139 CB SER 9 -12.207 -13.184 -1.765 1.00 64.11 ATOM 140 HB1 SER 9 -12.942 -13.975 -1.708 1.00 37.64 ATOM 141 HB2 SER 9 -11.401 -13.493 -2.413 1.00 64.14 ATOM 142 OG SER 9 -12.819 -12.032 -2.327 1.00 53.22 ATOM 143 HG SER 9 -12.830 -12.117 -3.289 1.00 24.54 ATOM 144 C SER 9 -10.932 -14.152 0.163 1.00 54.25 ATOM 145 O SER 9 -11.474 -14.907 0.975 1.00 52.01 ATOM 146 N HIS 10 -9.705 -14.366 -0.314 1.00 72.43 ATOM 147 HN HIS 10 -9.325 -13.720 -0.943 1.00 37.64 ATOM 148 CA HIS 10 -8.898 -15.527 0.084 1.00 62.24 ATOM 149 HA HIS 10 -9.389 -16.000 0.924 1.00 54.03 ATOM 150 CB HIS 10 -8.809 -16.536 -1.073 1.00 65.35 ATOM 151 HB1 HIS 10 -8.395 -16.044 -1.942 1.00 37.64 ATOM 152 HB2 HIS 10 -9.801 -16.895 -1.310 1.00 71.03 ATOM 153 CG HIS 10 -7.949 -17.726 -0.761 1.00 53.00 ATOM 154 ND1 HIS 10 -6.620 -17.807 -1.112 1.00 12.25 ATOM 155 HD1 HIS 10 -6.116 -17.124 -1.605 1.00 34.21 ATOM 156 CD2 HIS 10 -8.229 -18.880 -0.108 1.00 24.51 ATOM 157 HD2 HIS 10 -9.184 -19.165 0.312 1.00 43.12 ATOM 158 CE1 HIS 10 -6.121 -18.952 -0.694 1.00 31.21 ATOM 159 HE1 HIS 10 -5.103 -19.285 -0.832 1.00 42.12 ATOM 160 NE2 HIS 10 -7.074 -19.622 -0.081 1.00 23.30 ATOM 161 HE2 HIS 10 -6.922 -20.411 0.481 1.00 37.64 ATOM 162 C HIS 10 -7.483 -15.101 0.510 1.00 23.50 ATOM 163 O HIS 10 -6.725 -14.561 -0.298 1.00 23.03 ATOM 164 N PRO 11 -7.104 -15.339 1.779 1.00 11.22 ATOM 165 CA PRO 11 -5.757 -15.021 2.269 1.00 75.22 ATOM 166 HA PRO 11 -5.422 -14.061 1.900 1.00 65.33 ATOM 167 CB PRO 11 -5.967 -14.939 3.784 1.00 15.12 ATOM 168 HB1 PRO 11 -6.260 -13.935 4.057 1.00 37.64 ATOM 169 HB2 PRO 11 -5.052 -15.204 4.298 1.00 22.43 ATOM 170 CG PRO 11 -7.060 -15.918 4.063 1.00 34.24 ATOM 171 HG1 PRO 11 -7.614 -15.612 4.939 1.00 37.64 ATOM 172 HG2 PRO 11 -6.641 -16.904 4.213 1.00 21.11 ATOM 173 CD PRO 11 -7.959 -15.909 2.845 1.00 71.25 ATOM 174 HD1 PRO 11 -8.822 -15.282 3.017 1.00 37.64 ATOM 175 HD2 PRO 11 -8.267 -16.913 2.592 1.00 21.35 ATOM 176 C PRO 11 -4.710 -16.097 1.916 1.00 35.31 ATOM 177 O PRO 11 -4.998 -17.297 1.935 1.00 42.40 ATOM 178 N ASN 12 -3.498 -15.658 1.577 1.00 23.22 ATOM 179 HN ASN 12 -3.353 -14.694 1.484 1.00 37.64 ATOM 180 CA ASN 12 -2.376 -16.576 1.330 1.00 33.23 ATOM 181 HA ASN 12 -2.714 -17.342 0.646 1.00 33.32 ATOM 182 CB ASN 12 -1.214 -15.801 0.688 1.00 52.50 ATOM 183 HB1 ASN 12 -0.875 -15.040 1.378 1.00 37.64 ATOM 184 HB2 ASN 12 -1.567 -15.323 -0.214 1.00 33.21 ATOM 185 CG ASN 12 -0.031 -16.681 0.328 1.00 72.24 ATOM 186 OD1 ASN 12 0.878 -16.877 1.126 1.00 62.25 ATOM 187 ND2 ASN 12 -0.035 -17.224 -0.872 1.00 23.15 ATOM 188 HD21 ASN 12 -0.792 -17.037 -1.464 1.00 50.13 ATOM 189 HD22 ASN 12 0.726 -17.790 -1.123 1.00 35.25 ATOM 190 C ASN 12 -1.927 -17.244 2.648 1.00 21.41 ATOM 191 O ASN 12 -2.329 -16.812 3.729 1.00 14.44 ATOM 192 N GLU 13 -1.097 -18.291 2.560 1.00 24.34 ATOM 193 HN GLU 13 -0.809 -18.598 1.674 1.00 37.64 ATOM 194 CA GLU 13 -0.623 -19.009 3.756 1.00 33.42 ATOM 195 HA GLU 13 -1.460 -19.556 4.166 1.00 32.12 ATOM 196 CB GLU 13 0.487 -19.999 3.399 1.00 72.11 ATOM 197 HB1 GLU 13 1.333 -19.453 3.006 1.00 37.64 ATOM 198 HB2 GLU 13 0.122 -20.676 2.638 1.00 33.14 ATOM 199 CG GLU 13 0.960 -20.823 4.597 1.00 71.22 ATOM 200 HG1 GLU 13 0.965 -20.188 5.471 1.00 37.64 ATOM 201 HG2 GLU 13 1.957 -21.165 4.417 1.00 41.44 ATOM 202 CD GLU 13 0.070 -22.022 4.875 1.00 53.33 ATOM 203 OE1 GLU 13 -0.612 -22.036 5.915 1.00 54.15 ATOM 204 OE2 GLU 13 0.028 -22.947 4.034 1.00 24.11 ATOM 205 C GLU 13 -0.085 -18.049 4.826 1.00 43.43 ATOM 206 O GLU 13 -0.577 -18.020 5.948 1.00 60.02 ATOM 207 N GLU 14 0.927 -17.262 4.467 1.00 53.44 ATOM 208 HN GLU 14 1.294 -17.341 3.560 1.00 37.64 ATOM 209 CA GLU 14 1.515 -16.287 5.396 1.00 22.50 ATOM 210 HA GLU 14 1.889 -16.840 6.246 1.00 3.33 ATOM 211 CB GLU 14 2.692 -15.554 4.732 1.00 2.31 ATOM 212 HB1 GLU 14 2.768 -14.558 5.148 1.00 37.64 ATOM 213 HB2 GLU 14 2.498 -15.473 3.671 1.00 34.31 ATOM 214 CG GLU 14 4.038 -16.254 4.916 1.00 43.34 ATOM 215 HG1 GLU 14 4.747 -15.834 4.216 1.00 37.64 ATOM 216 HG2 GLU 14 3.914 -17.308 4.706 1.00 42.51 ATOM 217 CD GLU 14 4.594 -16.100 6.330 1.00 0.43 ATOM 218 OE1 GLU 14 5.335 -15.123 6.580 1.00 63.32 ATOM 219 OE2 GLU 14 4.293 -16.946 7.199 1.00 32.22 ATOM 220 C GLU 14 0.471 -15.284 5.903 1.00 70.12 ATOM 221 O GLU 14 0.588 -14.773 7.009 1.00 64.32 ATOM 222 N ALA 15 -0.554 -15.020 5.097 1.00 44.34 ATOM 223 HN ALA 15 -0.591 -15.451 4.220 1.00 37.64 ATOM 224 CA ALA 15 -1.630 -14.106 5.492 1.00 20.24 ATOM 225 HA ALA 15 -1.170 -13.214 5.899 1.00 1.42 ATOM 226 CB ALA 15 -2.453 -13.693 4.274 1.00 14.23 ATOM 227 HB1 ALA 15 -1.803 -13.245 3.535 1.00 61.34 ATOM 228 HB2 ALA 15 -3.206 -12.976 4.570 1.00 20.05 ATOM 229 HB3 ALA 15 -2.932 -14.563 3.849 1.00 41.43 ATOM 230 C ALA 15 -2.529 -14.730 6.574 1.00 73.24 ATOM 231 O ALA 15 -2.836 -14.087 7.577 1.00 31.24 ATOM 232 N ARG 16 -2.946 -15.985 6.376 1.00 3.44 ATOM 233 HN ARG 16 -2.693 -16.452 5.551 1.00 37.64 ATOM 234 CA ARG 16 -3.772 -16.678 7.375 1.00 2.10 ATOM 235 HA ARG 16 -4.551 -15.988 7.676 1.00 41.14 ATOM 236 CB ARG 16 -4.437 -17.936 6.780 1.00 40.42 ATOM 237 HB1 ARG 16 -4.998 -17.643 5.903 1.00 37.64 ATOM 238 HB2 ARG 16 -5.123 -18.341 7.510 1.00 52.13 ATOM 239 CG ARG 16 -3.467 -19.044 6.374 1.00 72.20 ATOM 240 HG1 ARG 16 -2.893 -19.342 7.242 1.00 37.64 ATOM 241 HG2 ARG 16 -2.797 -18.663 5.616 1.00 5.53 ATOM 242 CD ARG 16 -4.196 -20.267 5.819 1.00 15.00 ATOM 243 HD1 ARG 16 -4.776 -19.964 4.958 1.00 37.64 ATOM 244 HD2 ARG 16 -4.862 -20.651 6.580 1.00 74.51 ATOM 245 NE ARG 16 -3.272 -21.330 5.420 1.00 73.02 ATOM 246 HE ARG 16 -2.326 -21.211 5.635 1.00 73.32 ATOM 247 CZ ARG 16 -3.624 -22.421 4.793 1.00 14.44 ATOM 248 NH1 ARG 16 -4.868 -22.669 4.538 1.00 33.33 ATOM 249 HH11 ARG 16 -5.572 -22.028 4.824 1.00 52.01 ATOM 250 HH12 ARG 16 -5.120 -23.509 4.062 1.00 3.43 ATOM 251 NH2 ARG 16 -2.727 -23.285 4.456 1.00 70.24 ATOM 252 HH21 ARG 16 -1.765 -23.116 4.679 1.00 40.12 ATOM 253 HH22 ARG 16 -2.992 -24.117 3.979 1.00 51.14 ATOM 254 C ARG 16 -2.944 -17.031 8.624 1.00 54.23 ATOM 255 O ARG 16 -3.406 -16.865 9.756 1.00 34.22 ATOM 256 N LEU 17 -1.713 -17.511 8.416 1.00 41.31 ATOM 257 HN LEU 17 -1.421 -17.720 7.498 1.00 37.64 ATOM 258 CA LEU 17 -0.794 -17.773 9.526 1.00 51.44 ATOM 259 HA LEU 17 -1.289 -18.456 10.205 1.00 71.34 ATOM 260 CB LEU 17 0.485 -18.441 9.001 1.00 34.11 ATOM 261 HB1 LEU 17 0.942 -17.775 8.282 1.00 37.64 ATOM 262 HB2 LEU 17 0.204 -19.352 8.490 1.00 14.10 ATOM 263 CG LEU 17 1.536 -18.790 10.068 1.00 24.42 ATOM 264 HG LEU 17 1.849 -17.882 10.558 1.00 43.13 ATOM 265 CD1 LEU 17 0.943 -19.702 11.135 1.00 52.14 ATOM 266 HD11 LEU 17 0.121 -19.197 11.623 1.00 63.14 ATOM 267 HD12 LEU 17 1.700 -19.939 11.867 1.00 2.04 ATOM 268 HD13 LEU 17 0.586 -20.613 10.677 1.00 42.42 ATOM 269 CD2 LEU 17 2.769 -19.429 9.427 1.00 4.20 ATOM 270 HD21 LEU 17 2.479 -20.325 8.896 1.00 73.24 ATOM 271 HD22 LEU 17 3.486 -19.683 10.195 1.00 22.53 ATOM 272 HD23 LEU 17 3.219 -18.732 8.735 1.00 42.05 ATOM 273 C LEU 17 -0.452 -16.479 10.295 1.00 3.32 ATOM 274 O LEU 17 -0.247 -16.507 11.509 1.00 21.03 ATOM 275 N ASP 18 -0.400 -15.346 9.588 1.00 3.10 ATOM 276 HN ASP 18 -0.547 -15.382 8.619 1.00 37.64 ATOM 277 CA ASP 18 -0.116 -14.049 10.221 1.00 63.51 ATOM 278 HA ASP 18 0.847 -14.126 10.706 1.00 22.12 ATOM 279 CB ASP 18 -0.050 -12.942 9.164 1.00 22.41 ATOM 280 HB1 ASP 18 -1.035 -12.800 8.740 1.00 37.64 ATOM 281 HB2 ASP 18 0.632 -13.241 8.380 1.00 75.32 ATOM 282 CG ASP 18 0.427 -11.620 9.734 1.00 34.14 ATOM 283 OD1 ASP 18 1.654 -11.446 9.895 1.00 44.55 ATOM 284 OD2 ASP 18 -0.412 -10.747 10.019 1.00 3.11 ATOM 285 C ASP 18 -1.174 -13.705 11.281 1.00 35.32 ATOM 286 O ASP 18 -0.849 -13.202 12.359 1.00 73.51 ATOM 287 N ILE 19 -2.440 -13.986 10.970 1.00 30.12 ATOM 288 HN ILE 19 -2.642 -14.334 10.076 1.00 37.64 ATOM 289 CA ILE 19 -3.538 -13.784 11.924 1.00 72.12 ATOM 290 HA ILE 19 -3.610 -12.725 12.138 1.00 12.40 ATOM 291 CB ILE 19 -4.890 -14.262 11.332 1.00 41.44 ATOM 292 HB ILE 19 -4.872 -15.343 11.282 1.00 64.40 ATOM 293 CG1 ILE 19 -5.093 -13.699 9.915 1.00 12.13 ATOM 294 HG11 ILE 19 -4.214 -13.905 9.321 1.00 37.64 ATOM 295 HG12 ILE 19 -5.237 -12.630 9.974 1.00 13.14 ATOM 296 CG2 ILE 19 -6.051 -13.849 12.239 1.00 13.11 ATOM 297 HG21 ILE 19 -5.927 -14.302 13.212 1.00 72.10 ATOM 298 HG22 ILE 19 -6.984 -14.180 11.807 1.00 44.20 ATOM 299 HG23 ILE 19 -6.066 -12.774 12.343 1.00 62.23 ATOM 300 CD1 ILE 19 -6.288 -14.287 9.193 1.00 74.32 ATOM 301 HD11 ILE 19 -6.345 -13.876 8.196 1.00 73.04 ATOM 302 HD12 ILE 19 -7.191 -14.046 9.733 1.00 70.00 ATOM 303 HD13 ILE 19 -6.180 -15.362 9.133 1.00 23.41 ATOM 304 C ILE 19 -3.261 -14.550 13.231 1.00 0.24 ATOM 305 O ILE 19 -3.448 -14.028 14.334 1.00 71.55 ATOM 306 N LEU 20 -2.807 -15.793 13.087 1.00 53.43 ATOM 307 HN LEU 20 -2.746 -16.168 12.181 1.00 37.64 ATOM 308 CA LEU 20 -2.396 -16.623 14.227 1.00 43.30 ATOM 309 HA LEU 20 -3.228 -16.679 14.915 1.00 51.34 ATOM 310 CB LEU 20 -2.053 -18.041 13.743 1.00 20.30 ATOM 311 HB1 LEU 20 -1.584 -18.574 14.557 1.00 37.64 ATOM 312 HB2 LEU 20 -1.339 -17.956 12.934 1.00 1.31 ATOM 313 CG LEU 20 -3.252 -18.870 13.250 1.00 43.40 ATOM 314 HG LEU 20 -3.864 -18.254 12.606 1.00 14.13 ATOM 315 CD1 LEU 20 -2.793 -20.078 12.439 1.00 4.11 ATOM 316 HD11 LEU 20 -2.222 -19.741 11.586 1.00 35.14 ATOM 317 HD12 LEU 20 -3.656 -20.632 12.095 1.00 24.15 ATOM 318 HD13 LEU 20 -2.176 -20.717 13.055 1.00 3.01 ATOM 319 CD2 LEU 20 -4.114 -19.314 14.431 1.00 43.10 ATOM 320 HD21 LEU 20 -3.512 -19.883 15.125 1.00 74.11 ATOM 321 HD22 LEU 20 -4.926 -19.929 14.071 1.00 5.21 ATOM 322 HD23 LEU 20 -4.517 -18.445 14.931 1.00 22.53 ATOM 323 C LEU 20 -1.191 -16.009 14.957 1.00 31.25 ATOM 324 O LEU 20 -1.159 -15.951 16.187 1.00 43.15 ATOM 325 N LYS 21 -0.205 -15.545 14.186 1.00 44.51 ATOM 326 HN LYS 21 -0.280 -15.645 13.213 1.00 37.64 ATOM 327 CA LYS 21 0.990 -14.894 14.746 1.00 23.13 ATOM 328 HA LYS 21 1.518 -15.629 15.337 1.00 33.03 ATOM 329 CB LYS 21 1.916 -14.409 13.616 1.00 32.15 ATOM 330 HB1 LYS 21 2.729 -13.846 14.053 1.00 37.64 ATOM 331 HB2 LYS 21 1.352 -13.756 12.965 1.00 23.15 ATOM 332 CG LYS 21 2.518 -15.531 12.764 1.00 71.13 ATOM 333 HG1 LYS 21 1.720 -16.167 12.406 1.00 37.64 ATOM 334 HG2 LYS 21 3.195 -16.110 13.375 1.00 13.23 ATOM 335 CD LYS 21 3.286 -14.970 11.566 1.00 33.15 ATOM 336 HD1 LYS 21 4.069 -14.316 11.926 1.00 37.64 ATOM 337 HD2 LYS 21 2.600 -14.405 10.955 1.00 72.00 ATOM 338 CE LYS 21 3.908 -16.062 10.704 1.00 11.22 ATOM 339 HE1 LYS 21 3.126 -16.715 10.352 1.00 37.64 ATOM 340 HE2 LYS 21 4.605 -16.628 11.303 1.00 3.33 ATOM 341 NZ LYS 21 4.629 -15.501 9.529 1.00 25.05 ATOM 342 HZ1 LYS 21 5.474 -14.980 9.839 1.00 71.03 ATOM 343 HZ2 LYS 21 4.012 -14.848 9.007 1.00 75.04 ATOM 344 HZ3 LYS 21 4.923 -16.266 8.886 1.00 22.41 ATOM 345 C LYS 21 0.609 -13.711 15.655 1.00 44.21 ATOM 346 O LYS 21 1.127 -13.581 16.758 1.00 22.31 ATOM 347 N ILE 22 -0.307 -12.864 15.189 1.00 63.50 ATOM 348 HN ILE 22 -0.676 -13.012 14.292 1.00 37.64 ATOM 349 CA ILE 22 -0.773 -11.707 15.974 1.00 74.44 ATOM 350 HA ILE 22 0.099 -11.182 16.348 1.00 32.40 ATOM 351 CB ILE 22 -1.590 -10.724 15.092 1.00 12.51 ATOM 352 HB ILE 22 -2.444 -11.260 14.698 1.00 33.44 ATOM 353 CG1 ILE 22 -0.736 -10.212 13.917 1.00 12.52 ATOM 354 HG11 ILE 22 -0.394 -11.056 13.334 1.00 37.64 ATOM 355 HG12 ILE 22 0.120 -9.681 14.306 1.00 25.13 ATOM 356 CG2 ILE 22 -2.114 -9.553 15.927 1.00 23.15 ATOM 357 HG21 ILE 22 -1.282 -8.995 16.333 1.00 42.21 ATOM 358 HG22 ILE 22 -2.721 -9.931 16.737 1.00 34.33 ATOM 359 HG23 ILE 22 -2.713 -8.904 15.304 1.00 3.24 ATOM 360 CD1 ILE 22 -1.476 -9.274 12.983 1.00 44.35 ATOM 361 HD11 ILE 22 -1.804 -8.404 13.531 1.00 31.32 ATOM 362 HD12 ILE 22 -2.333 -9.783 12.566 1.00 70.41 ATOM 363 HD13 ILE 22 -0.817 -8.969 12.183 1.00 52.41 ATOM 364 C ILE 22 -1.634 -12.136 17.176 1.00 4.25 ATOM 365 O ILE 22 -1.352 -11.768 18.316 1.00 50.11 ATOM 366 N HIS 23 -2.680 -12.923 16.920 1.00 34.04 ATOM 367 HN HIS 23 -2.816 -13.252 16.005 1.00 37.64 ATOM 368 CA HIS 23 -3.622 -13.318 17.979 1.00 21.54 ATOM 369 HA HIS 23 -3.934 -12.410 18.479 1.00 61.31 ATOM 370 CB HIS 23 -4.865 -13.984 17.379 1.00 2.11 ATOM 371 HB1 HIS 23 -5.427 -14.466 18.167 1.00 37.64 ATOM 372 HB2 HIS 23 -4.557 -14.726 16.657 1.00 21.30 ATOM 373 CG HIS 23 -5.778 -13.017 16.686 1.00 40.11 ATOM 374 ND1 HIS 23 -6.890 -12.471 17.288 1.00 14.51 ATOM 375 HD1 HIS 23 -7.193 -12.647 18.210 1.00 21.41 ATOM 376 CD2 HIS 23 -5.736 -12.486 15.441 1.00 53.21 ATOM 377 HD2 HIS 23 -4.993 -12.689 14.682 1.00 64.53 ATOM 378 CE1 HIS 23 -7.489 -11.654 16.446 1.00 43.22 ATOM 379 HE1 HIS 23 -8.385 -11.085 16.649 1.00 54.31 ATOM 380 NE2 HIS 23 -6.811 -11.642 15.320 1.00 42.32 ATOM 381 HE2 HIS 23 -6.917 -10.967 14.615 1.00 37.64 ATOM 382 C HIS 23 -2.975 -14.232 19.033 1.00 72.23 ATOM 383 O HIS 23 -3.501 -14.379 20.138 1.00 71.14 ATOM 384 N SER 24 -1.834 -14.837 18.698 1.00 61.14 ATOM 385 HN SER 24 -1.498 -14.756 17.780 1.00 37.64 ATOM 386 CA SER 24 -1.076 -15.639 19.674 1.00 2.34 ATOM 387 HA SER 24 -1.729 -16.413 20.051 1.00 42.15 ATOM 388 CB SER 24 0.152 -16.291 19.023 1.00 2.41 ATOM 389 HB1 SER 24 -0.138 -16.746 18.086 1.00 37.64 ATOM 390 HB2 SER 24 0.546 -17.050 19.682 1.00 11.33 ATOM 391 OG SER 24 1.172 -15.337 18.769 1.00 40.12 ATOM 392 HG SER 24 1.187 -15.126 17.830 1.00 3.12 ATOM 393 C SER 24 -0.618 -14.762 20.845 1.00 54.02 ATOM 394 O SER 24 -0.521 -15.223 21.978 1.00 65.12 ATOM 395 N ARG 25 -0.360 -13.484 20.554 1.00 12.00 ATOM 396 HN ARG 25 -0.448 -13.188 19.623 1.00 37.64 ATOM 397 CA ARG 25 0.050 -12.506 21.573 1.00 12.45 ATOM 398 HA ARG 25 0.967 -12.861 22.019 1.00 60.23 ATOM 399 CB ARG 25 0.314 -11.136 20.914 1.00 74.22 ATOM 400 HB1 ARG 25 0.231 -10.363 21.661 1.00 37.64 ATOM 401 HB2 ARG 25 -0.444 -10.968 20.161 1.00 51.44 ATOM 402 CG ARG 25 1.680 -11.000 20.239 1.00 72.42 ATOM 403 HG1 ARG 25 2.451 -11.125 20.987 1.00 37.64 ATOM 404 HG2 ARG 25 1.757 -10.013 19.809 1.00 42.51 ATOM 405 CD ARG 25 1.891 -12.029 19.137 1.00 43.44 ATOM 406 HD1 ARG 25 1.066 -11.963 18.440 1.00 37.64 ATOM 407 HD2 ARG 25 1.905 -13.016 19.579 1.00 75.22 ATOM 408 NE ARG 25 3.143 -11.810 18.410 1.00 13.32 ATOM 409 HE ARG 25 3.259 -10.947 17.965 1.00 50.24 ATOM 410 CZ ARG 25 4.099 -12.693 18.307 1.00 15.03 ATOM 411 NH1 ARG 25 3.989 -13.848 18.878 1.00 3.44 ATOM 412 HH11 ARG 25 3.168 -14.067 19.400 1.00 22.12 ATOM 413 HH12 ARG 25 4.726 -14.514 18.804 1.00 23.21 ATOM 414 NH2 ARG 25 5.166 -12.416 17.625 1.00 22.35 ATOM 415 HH21 ARG 25 5.255 -11.529 17.171 1.00 20.53 ATOM 416 HH22 ARG 25 5.904 -13.085 17.561 1.00 72.20 ATOM 417 C ARG 25 -1.010 -12.354 22.682 1.00 40.23 ATOM 418 O ARG 25 -0.714 -11.869 23.775 1.00 60.31 ATOM 419 N LYS 26 -2.244 -12.770 22.395 1.00 3.12 ATOM 420 HN LYS 26 -2.422 -13.153 21.509 1.00 37.64 ATOM 421 CA LYS 26 -3.345 -12.673 23.363 1.00 32.45 ATOM 422 HA LYS 26 -3.202 -11.764 23.932 1.00 35.52 ATOM 423 CB LYS 26 -4.693 -12.584 22.629 1.00 24.03 ATOM 424 HB1 LYS 26 -5.482 -12.466 23.360 1.00 37.64 ATOM 425 HB2 LYS 26 -4.857 -13.504 22.084 1.00 63.24 ATOM 426 CG LYS 26 -4.779 -11.422 21.642 1.00 71.14 ATOM 427 HG1 LYS 26 -5.772 -11.402 21.212 1.00 37.64 ATOM 428 HG2 LYS 26 -4.053 -11.577 20.857 1.00 25.54 ATOM 429 CD LYS 26 -4.500 -10.079 22.312 1.00 3.11 ATOM 430 HD1 LYS 26 -4.554 -9.300 21.563 1.00 37.64 ATOM 431 HD2 LYS 26 -3.506 -10.100 22.736 1.00 11.20 ATOM 432 CE LYS 26 -5.502 -9.770 23.420 1.00 14.33 ATOM 433 HE1 LYS 26 -5.475 -10.568 24.149 1.00 37.64 ATOM 434 HE2 LYS 26 -6.489 -9.710 22.991 1.00 44.24 ATOM 435 NZ LYS 26 -5.198 -8.487 24.101 1.00 63.13 ATOM 436 HZ1 LYS 26 -4.275 -8.542 24.579 1.00 24.43 ATOM 437 HZ2 LYS 26 -5.927 -8.275 24.809 1.00 14.23 ATOM 438 HZ3 LYS 26 -5.170 -7.710 23.410 1.00 3.04 ATOM 439 C LYS 26 -3.351 -13.862 24.341 1.00 61.10 ATOM 440 O LYS 26 -4.182 -13.928 25.247 1.00 64.54 ATOM 441 N MET 27 -2.431 -14.803 24.141 1.00 51.23 ATOM 442 HN MET 27 -1.827 -14.719 23.369 1.00 37.64 ATOM 443 CA MET 27 -2.271 -15.957 25.036 1.00 1.21 ATOM 444 HA MET 27 -2.680 -15.692 26.002 1.00 44.13 ATOM 445 CB MET 27 -3.029 -17.181 24.487 1.00 54.15 ATOM 446 HB1 MET 27 -2.847 -18.026 25.137 1.00 37.64 ATOM 447 HB2 MET 27 -2.651 -17.413 23.502 1.00 21.14 ATOM 448 CG MET 27 -4.537 -16.982 24.378 1.00 11.41 ATOM 449 HG1 MET 27 -4.732 -16.176 23.685 1.00 37.64 ATOM 450 HG2 MET 27 -4.922 -16.714 25.351 1.00 33.42 ATOM 451 SD MET 27 -5.402 -18.461 23.802 1.00 43.44 ATOM 452 CE MET 27 -4.599 -18.741 22.223 1.00 10.42 ATOM 453 HE1 MET 27 -5.022 -19.618 21.758 1.00 53.33 ATOM 454 HE2 MET 27 -3.539 -18.888 22.378 1.00 42.44 ATOM 455 HE3 MET 27 -4.754 -17.885 21.583 1.00 73.04 ATOM 456 C MET 27 -0.782 -16.296 25.214 1.00 22.24 ATOM 457 O MET 27 0.083 -15.655 24.619 1.00 35.41 ATOM 458 N ASN 28 -0.485 -17.293 26.043 1.00 31.33 ATOM 459 HN ASN 28 -1.205 -17.726 26.548 1.00 37.64 ATOM 460 CA ASN 28 0.898 -17.751 26.226 1.00 50.54 ATOM 461 HA ASN 28 1.563 -16.973 25.873 1.00 72.12 ATOM 462 CB ASN 28 1.185 -18.021 27.709 1.00 64.41 ATOM 463 HB1 ASN 28 2.250 -18.146 27.848 1.00 37.64 ATOM 464 HB2 ASN 28 0.683 -18.931 28.006 1.00 32.11 ATOM 465 CG ASN 28 0.711 -16.896 28.613 1.00 54.33 ATOM 466 OD1 ASN 28 1.412 -15.915 28.838 1.00 35.04 ATOM 467 ND2 ASN 28 -0.481 -17.038 29.154 1.00 33.15 ATOM 468 HD21 ASN 28 -0.991 -17.850 28.947 1.00 30.11 ATOM 469 HD22 ASN 28 -0.811 -16.325 29.736 1.00 33.15 ATOM 470 C ASN 28 1.148 -19.028 25.411 1.00 32.24 ATOM 471 O ASN 28 0.474 -20.035 25.614 1.00 53.42 ATOM 472 N LEU 29 2.105 -18.990 24.488 1.00 25.20 ATOM 473 HN LEU 29 2.604 -18.156 24.350 1.00 37.64 ATOM 474 CA LEU 29 2.431 -20.169 23.670 1.00 33.43 ATOM 475 HA LEU 29 1.512 -20.712 23.494 1.00 64.32 ATOM 476 CB LEU 29 3.021 -19.746 22.316 1.00 52.32 ATOM 477 HB1 LEU 29 3.257 -20.641 21.758 1.00 37.64 ATOM 478 HB2 LEU 29 3.941 -19.208 22.501 1.00 20.22 ATOM 479 CG LEU 29 2.114 -18.862 21.442 1.00 33.40 ATOM 480 HG LEU 29 1.934 -17.929 21.956 1.00 71.10 ATOM 481 CD1 LEU 29 2.798 -18.538 20.115 1.00 23.42 ATOM 482 HD11 LEU 29 3.726 -18.019 20.305 1.00 22.02 ATOM 483 HD12 LEU 29 2.151 -17.910 19.521 1.00 24.22 ATOM 484 HD13 LEU 29 3.002 -19.454 19.578 1.00 72.35 ATOM 485 CD2 LEU 29 0.763 -19.539 21.207 1.00 54.11 ATOM 486 HD21 LEU 29 0.273 -19.704 22.155 1.00 24.02 ATOM 487 HD22 LEU 29 0.915 -20.487 20.710 1.00 43.53 ATOM 488 HD23 LEU 29 0.144 -18.904 20.589 1.00 12.23 ATOM 489 C LEU 29 3.417 -21.097 24.393 1.00 4.41 ATOM 490 O LEU 29 4.195 -20.657 25.241 1.00 22.52 ATOM 491 N THR 30 3.377 -22.386 24.065 1.00 2.13 ATOM 492 HN THR 30 2.697 -22.696 23.427 1.00 37.64 ATOM 493 CA THR 30 4.314 -23.358 24.650 1.00 14.00 ATOM 494 HA THR 30 4.579 -23.008 25.638 1.00 1.53 ATOM 495 CB THR 30 3.669 -24.759 24.793 1.00 25.11 ATOM 496 HB THR 30 2.722 -24.652 25.302 1.00 42.02 ATOM 497 OG1 THR 30 4.520 -25.620 25.566 1.00 31.50 ATOM 498 HG1 THR 30 3.997 -26.353 25.918 1.00 65.05 ATOM 499 CG2 THR 30 3.416 -25.393 23.430 1.00 44.43 ATOM 500 HG21 THR 30 2.784 -24.744 22.842 1.00 32.13 ATOM 501 HG22 THR 30 2.927 -26.347 23.562 1.00 52.13 ATOM 502 HG23 THR 30 4.356 -25.540 22.919 1.00 42.44 ATOM 503 C THR 30 5.599 -23.484 23.815 1.00 74.44 ATOM 504 O THR 30 5.755 -22.823 22.786 1.00 62.11 ATOM 505 N ARG 31 6.513 -24.340 24.263 1.00 51.02 ATOM 506 HN ARG 31 6.327 -24.844 25.083 1.00 37.64 ATOM 507 CA ARG 31 7.782 -24.564 23.563 1.00 51.10 ATOM 508 HA ARG 31 8.074 -23.628 23.106 1.00 32.45 ATOM 509 CB ARG 31 8.868 -24.983 24.565 1.00 33.42 ATOM 510 HB1 ARG 31 9.771 -25.230 24.023 1.00 37.64 ATOM 511 HB2 ARG 31 8.531 -25.859 25.103 1.00 32.45 ATOM 512 CG ARG 31 9.202 -23.895 25.581 1.00 71.52 ATOM 513 HG1 ARG 31 8.300 -23.627 26.114 1.00 37.64 ATOM 514 HG2 ARG 31 9.578 -23.029 25.055 1.00 50.14 ATOM 515 CD ARG 31 10.252 -24.352 26.587 1.00 4.44 ATOM 516 HD1 ARG 31 10.542 -23.504 27.193 1.00 37.64 ATOM 517 HD2 ARG 31 11.114 -24.717 26.047 1.00 73.53 ATOM 518 NE ARG 31 9.756 -25.414 27.463 1.00 44.32 ATOM 519 HE ARG 31 8.794 -25.589 27.462 1.00 4.33 ATOM 520 CZ ARG 31 10.513 -26.121 28.259 1.00 20.15 ATOM 521 NH1 ARG 31 11.797 -25.952 28.275 1.00 5.02 ATOM 522 HH11 ARG 31 12.220 -25.279 27.674 1.00 52.44 ATOM 523 HH12 ARG 31 12.358 -26.494 28.899 1.00 40.24 ATOM 524 NH2 ARG 31 9.985 -27.013 29.031 1.00 21.41 ATOM 525 HH21 ARG 31 8.999 -27.163 29.019 1.00 43.15 ATOM 526 HH22 ARG 31 10.567 -27.544 29.646 1.00 20.42 ATOM 527 C ARG 31 7.633 -25.621 22.456 1.00 61.31 ATOM 528 O ARG 31 6.899 -26.600 22.611 1.00 10.34 ATOM 529 N GLY 32 8.330 -25.408 21.340 1.00 2.10 ATOM 530 HN GLY 32 8.924 -24.626 21.290 1.00 37.64 ATOM 531 CA GLY 32 8.240 -26.323 20.203 1.00 24.35 ATOM 532 HA1 GLY 32 8.504 -27.317 20.536 1.00 37.64 ATOM 533 HA2 GLY 32 8.953 -26.011 19.453 1.00 34.30 ATOM 534 C GLY 32 6.851 -26.364 19.568 1.00 71.13 ATOM 535 O GLY 32 6.404 -27.407 19.084 1.00 2.23 ATOM 536 N ILE 33 6.167 -25.221 19.567 1.00 5.42 ATOM 537 HN ILE 33 6.585 -24.423 19.946 1.00 37.64 ATOM 538 CA ILE 33 4.805 -25.128 19.026 1.00 52.31 ATOM 539 HA ILE 33 4.340 -26.099 19.149 1.00 21.42 ATOM 540 CB ILE 33 3.960 -24.094 19.828 1.00 2.30 ATOM 541 HB ILE 33 3.978 -24.393 20.869 1.00 61.02 ATOM 542 CG1 ILE 33 2.500 -24.091 19.344 1.00 71.30 ATOM 543 HG11 ILE 33 2.089 -25.084 19.462 1.00 37.64 ATOM 544 HG12 ILE 33 2.472 -23.819 18.300 1.00 71.24 ATOM 545 CG2 ILE 33 4.568 -22.693 19.742 1.00 54.12 ATOM 546 HG21 ILE 33 5.578 -22.714 20.122 1.00 21.01 ATOM 547 HG22 ILE 33 3.978 -22.005 20.330 1.00 40.55 ATOM 548 HG23 ILE 33 4.578 -22.366 18.712 1.00 32.12 ATOM 549 CD1 ILE 33 1.601 -23.130 20.094 1.00 51.32 ATOM 550 HD11 ILE 33 1.633 -23.355 21.150 1.00 41.32 ATOM 551 HD12 ILE 33 0.588 -23.233 19.735 1.00 63.15 ATOM 552 HD13 ILE 33 1.939 -22.117 19.932 1.00 13.13 ATOM 553 C ILE 33 4.807 -24.779 17.519 1.00 40.52 ATOM 554 O ILE 33 5.275 -23.713 17.105 1.00 4.21 ATOM 555 N ASN 34 4.302 -25.703 16.701 1.00 12.33 ATOM 556 HN ASN 34 3.988 -26.550 17.082 1.00 37.64 ATOM 557 CA ASN 34 4.212 -25.497 15.248 1.00 55.44 ATOM 558 HA ASN 34 5.021 -24.841 14.955 1.00 63.21 ATOM 559 CB ASN 34 4.370 -26.842 14.517 1.00 12.02 ATOM 560 HB1 ASN 34 3.558 -27.495 14.804 1.00 37.64 ATOM 561 HB2 ASN 34 5.304 -27.295 14.816 1.00 31.33 ATOM 562 CG ASN 34 4.369 -26.720 12.997 1.00 74.04 ATOM 563 OD1 ASN 34 3.777 -25.809 12.423 1.00 12.24 ATOM 564 ND2 ASN 34 5.017 -27.653 12.330 1.00 33.32 ATOM 565 HD21 ASN 34 5.461 -28.365 12.839 1.00 52.44 ATOM 566 HD22 ASN 34 5.024 -27.598 11.352 1.00 50.30 ATOM 567 C ASN 34 2.873 -24.833 14.874 1.00 61.32 ATOM 568 O ASN 34 1.815 -25.467 14.922 1.00 30.24 ATOM 569 N LEU 35 2.928 -23.557 14.497 1.00 71.14 ATOM 570 HN LEU 35 3.802 -23.117 14.437 1.00 37.64 ATOM 571 CA LEU 35 1.722 -22.791 14.159 1.00 52.33 ATOM 572 HA LEU 35 0.925 -23.127 14.808 1.00 74.34 ATOM 573 CB LEU 35 1.954 -21.292 14.403 1.00 4.53 ATOM 574 HB1 LEU 35 1.060 -20.758 14.110 1.00 37.64 ATOM 575 HB2 LEU 35 2.767 -20.969 13.766 1.00 23.53 ATOM 576 CG LEU 35 2.292 -20.898 15.852 1.00 20.15 ATOM 577 HG LEU 35 3.193 -21.413 16.155 1.00 2.30 ATOM 578 CD1 LEU 35 2.560 -19.397 15.952 1.00 45.41 ATOM 579 HD11 LEU 35 2.778 -19.136 16.977 1.00 54.44 ATOM 580 HD12 LEU 35 1.690 -18.850 15.619 1.00 72.32 ATOM 581 HD13 LEU 35 3.406 -19.139 15.330 1.00 63.35 ATOM 582 CD2 LEU 35 1.169 -21.313 16.805 1.00 34.11 ATOM 583 HD21 LEU 35 0.247 -20.834 16.510 1.00 53.00 ATOM 584 HD22 LEU 35 1.422 -21.015 17.813 1.00 61.10 ATOM 585 HD23 LEU 35 1.043 -22.385 16.771 1.00 73.51 ATOM 586 C LEU 35 1.292 -23.013 12.700 1.00 61.32 ATOM 587 O LEU 35 0.098 -23.016 12.395 1.00 13.04 ATOM 588 N ARG 36 2.259 -23.210 11.799 1.00 63.53 ATOM 589 HN ARG 36 3.191 -23.278 12.099 1.00 37.64 ATOM 590 CA ARG 36 1.944 -23.338 10.370 1.00 65.11 ATOM 591 HA ARG 36 1.398 -22.449 10.079 1.00 25.23 ATOM 592 CB ARG 36 3.211 -23.442 9.510 1.00 43.42 ATOM 593 HB1 ARG 36 3.580 -24.458 9.545 1.00 37.64 ATOM 594 HB2 ARG 36 3.965 -22.779 9.914 1.00 70.11 ATOM 595 CG ARG 36 2.965 -23.064 8.047 1.00 53.54 ATOM 596 HG1 ARG 36 2.930 -21.985 7.968 1.00 37.64 ATOM 597 HG2 ARG 36 2.013 -23.472 7.738 1.00 52.53 ATOM 598 CD ARG 36 4.044 -23.594 7.110 1.00 65.32 ATOM 599 HD1 ARG 36 5.011 -23.449 7.570 1.00 37.64 ATOM 600 HD2 ARG 36 4.001 -23.039 6.182 1.00 72.02 ATOM 601 NE ARG 36 3.861 -25.017 6.819 1.00 72.44 ATOM 602 HE ARG 36 3.213 -25.512 7.362 1.00 72.25 ATOM 603 CZ ARG 36 4.486 -25.659 5.869 1.00 32.12 ATOM 604 NH1 ARG 36 5.343 -25.052 5.113 1.00 22.43 ATOM 605 HH11 ARG 36 5.532 -24.083 5.255 1.00 5.12 ATOM 606 HH12 ARG 36 5.809 -25.552 4.387 1.00 71.12 ATOM 607 NH2 ARG 36 4.235 -26.911 5.664 1.00 24.33 ATOM 608 HH21 ARG 36 3.558 -27.383 6.231 1.00 74.33 ATOM 609 HH22 ARG 36 4.714 -27.403 4.944 1.00 13.23 ATOM 610 C ARG 36 1.056 -24.559 10.101 1.00 31.51 ATOM 611 O ARG 36 0.094 -24.475 9.342 1.00 24.41 ATOM 612 N LYS 37 1.383 -25.691 10.732 1.00 21.32 ATOM 613 HN LYS 37 2.172 -25.700 11.315 1.00 37.64 ATOM 614 CA LYS 37 0.598 -26.924 10.566 1.00 75.40 ATOM 615 HA LYS 37 0.657 -27.210 9.525 1.00 61.44 ATOM 616 CB LYS 37 1.188 -28.061 11.430 1.00 11.14 ATOM 617 HB1 LYS 37 0.939 -27.876 12.466 1.00 37.64 ATOM 618 HB2 LYS 37 2.264 -28.048 11.326 1.00 22.13 ATOM 619 CG LYS 37 0.692 -29.467 11.058 1.00 61.44 ATOM 620 HG1 LYS 37 1.446 -30.187 11.350 1.00 37.64 ATOM 621 HG2 LYS 37 0.557 -29.515 9.986 1.00 2.53 ATOM 622 CD LYS 37 -0.633 -29.843 11.728 1.00 64.35 ATOM 623 HD1 LYS 37 -1.051 -30.703 11.224 1.00 37.64 ATOM 624 HD2 LYS 37 -1.318 -29.013 11.641 1.00 25.42 ATOM 625 CE LYS 37 -0.453 -30.172 13.206 1.00 12.14 ATOM 626 HE1 LYS 37 -0.179 -29.270 13.735 1.00 37.64 ATOM 627 HE2 LYS 37 0.339 -30.900 13.307 1.00 20.22 ATOM 628 NZ LYS 37 -1.692 -30.726 13.809 1.00 50.34 ATOM 629 HZ1 LYS 37 -1.937 -31.629 13.357 1.00 55.25 ATOM 630 HZ2 LYS 37 -2.482 -30.065 13.684 1.00 72.33 ATOM 631 HZ3 LYS 37 -1.554 -30.891 14.826 1.00 51.52 ATOM 632 C LYS 37 -0.876 -26.678 10.920 1.00 20.11 ATOM 633 O LYS 37 -1.775 -27.298 10.357 1.00 22.33 ATOM 634 N ILE 38 -1.113 -25.756 11.850 1.00 14.43 ATOM 635 HN ILE 38 -0.355 -25.318 12.288 1.00 37.64 ATOM 636 CA ILE 38 -2.474 -25.367 12.226 1.00 31.32 ATOM 637 HA ILE 38 -3.036 -26.271 12.423 1.00 33.11 ATOM 638 CB ILE 38 -2.470 -24.500 13.512 1.00 51.14 ATOM 639 HB ILE 38 -1.914 -23.596 13.303 1.00 4.15 ATOM 640 CG1 ILE 38 -1.777 -25.250 14.662 1.00 34.13 ATOM 641 HG11 ILE 38 -1.808 -24.638 15.552 1.00 37.64 ATOM 642 HG12 ILE 38 -0.746 -25.430 14.394 1.00 71.00 ATOM 643 CG2 ILE 38 -3.890 -24.094 13.906 1.00 73.43 ATOM 644 HG21 ILE 38 -4.337 -23.516 13.108 1.00 61.32 ATOM 645 HG22 ILE 38 -3.858 -23.497 14.805 1.00 0.52 ATOM 646 HG23 ILE 38 -4.485 -24.979 14.084 1.00 34.42 ATOM 647 CD1 ILE 38 -2.408 -26.588 14.993 1.00 75.23 ATOM 648 HD11 ILE 38 -3.443 -26.440 15.269 1.00 24.24 ATOM 649 HD12 ILE 38 -1.879 -27.040 15.819 1.00 13.23 ATOM 650 HD13 ILE 38 -2.353 -27.238 14.132 1.00 34.44 ATOM 651 C ILE 38 -3.156 -24.591 11.086 1.00 52.50 ATOM 652 O ILE 38 -4.294 -24.882 10.713 1.00 30.11 ATOM 653 N ALA 39 -2.438 -23.613 10.529 1.00 14.23 ATOM 654 HN ALA 39 -1.546 -23.422 10.885 1.00 37.64 ATOM 655 CA ALA 39 -2.938 -22.819 9.401 1.00 72.14 ATOM 656 HA ALA 39 -3.852 -22.335 9.716 1.00 2.43 ATOM 657 CB ALA 39 -1.929 -21.732 9.038 1.00 60.23 ATOM 658 HB1 ALA 39 -1.011 -22.190 8.696 1.00 61.42 ATOM 659 HB2 ALA 39 -1.724 -21.126 9.908 1.00 52.31 ATOM 660 HB3 ALA 39 -2.333 -21.107 8.253 1.00 71.04 ATOM 661 C ALA 39 -3.238 -23.700 8.179 1.00 41.34 ATOM 662 O ALA 39 -4.266 -23.536 7.520 1.00 51.01 ATOM 663 N GLU 40 -2.341 -24.648 7.896 1.00 34.12 ATOM 664 HN GLU 40 -1.537 -24.719 8.453 1.00 37.64 ATOM 665 CA GLU 40 -2.507 -25.574 6.766 1.00 14.31 ATOM 666 HA GLU 40 -2.530 -24.982 5.862 1.00 3.23 ATOM 667 CB GLU 40 -1.321 -26.548 6.686 1.00 3.11 ATOM 668 HB1 GLU 40 -1.488 -27.232 5.864 1.00 37.64 ATOM 669 HB2 GLU 40 -1.272 -27.114 7.606 1.00 51.13 ATOM 670 CG GLU 40 0.026 -25.866 6.473 1.00 13.43 ATOM 671 HG1 GLU 40 0.260 -25.281 7.351 1.00 37.64 ATOM 672 HG2 GLU 40 -0.050 -25.209 5.618 1.00 31.34 ATOM 673 CD GLU 40 1.154 -26.856 6.229 1.00 74.45 ATOM 674 OE1 GLU 40 1.883 -27.199 7.190 1.00 52.15 ATOM 675 OE2 GLU 40 1.323 -27.297 5.072 1.00 32.34 ATOM 676 C GLU 40 -3.820 -26.369 6.860 1.00 44.34 ATOM 677 O GLU 40 -4.355 -26.822 5.845 1.00 54.21 ATOM 678 N LEU 41 -4.338 -26.531 8.075 1.00 72.34 ATOM 679 HN LEU 41 -3.865 -26.149 8.846 1.00 37.64 ATOM 680 CA LEU 41 -5.590 -27.267 8.300 1.00 72.13 ATOM 681 HA LEU 41 -5.589 -28.126 7.644 1.00 53.23 ATOM 682 CB LEU 41 -5.658 -27.758 9.755 1.00 64.44 ATOM 683 HB1 LEU 41 -6.619 -28.228 9.910 1.00 37.64 ATOM 684 HB2 LEU 41 -5.589 -26.896 10.405 1.00 22.44 ATOM 685 CG LEU 41 -4.563 -28.757 10.166 1.00 5.23 ATOM 686 HG LEU 41 -3.594 -28.308 9.989 1.00 1.33 ATOM 687 CD1 LEU 41 -4.659 -29.084 11.656 1.00 12.43 ATOM 688 HD11 LEU 41 -3.859 -29.757 11.931 1.00 1.34 ATOM 689 HD12 LEU 41 -5.610 -29.553 11.864 1.00 30.31 ATOM 690 HD13 LEU 41 -4.576 -28.173 12.233 1.00 74.43 ATOM 691 CD2 LEU 41 -4.649 -30.031 9.327 1.00 22.33 ATOM 692 HD21 LEU 41 -3.869 -30.715 9.630 1.00 52.21 ATOM 693 HD22 LEU 41 -4.523 -29.787 8.282 1.00 75.11 ATOM 694 HD23 LEU 41 -5.613 -30.498 9.474 1.00 50.31 ATOM 695 C LEU 41 -6.829 -26.412 7.977 1.00 25.10 ATOM 696 O LEU 41 -7.939 -26.936 7.871 1.00 35.13 ATOM 697 N MET 42 -6.633 -25.105 7.799 1.00 4.23 ATOM 698 HN MET 42 -5.719 -24.751 7.844 1.00 37.64 ATOM 699 CA MET 42 -7.745 -24.177 7.544 1.00 42.14 ATOM 700 HA MET 42 -8.669 -24.699 7.751 1.00 34.54 ATOM 701 CB MET 42 -7.637 -22.974 8.493 1.00 54.13 ATOM 702 HB1 MET 42 -8.524 -22.363 8.386 1.00 37.64 ATOM 703 HB2 MET 42 -6.773 -22.387 8.215 1.00 12.23 ATOM 704 CG MET 42 -7.497 -23.364 9.962 1.00 23.11 ATOM 705 HG1 MET 42 -6.577 -23.917 10.089 1.00 37.64 ATOM 706 HG2 MET 42 -8.332 -23.994 10.236 1.00 71.20 ATOM 707 SD MET 42 -7.468 -21.940 11.067 1.00 44.22 ATOM 708 CE MET 42 -9.118 -21.291 10.828 1.00 22.05 ATOM 709 HE1 MET 42 -9.254 -20.416 11.445 1.00 75.01 ATOM 710 HE2 MET 42 -9.845 -22.041 11.103 1.00 32.53 ATOM 711 HE3 MET 42 -9.253 -21.024 9.791 1.00 34.13 ATOM 712 C MET 42 -7.768 -23.698 6.074 1.00 64.45 ATOM 713 O MET 42 -7.152 -22.686 5.725 1.00 74.54 ATOM 714 N PRO 43 -8.485 -24.419 5.188 1.00 10.41 ATOM 715 CA PRO 43 -8.533 -24.093 3.747 1.00 50.44 ATOM 716 HA PRO 43 -7.536 -24.001 3.335 1.00 64.45 ATOM 717 CB PRO 43 -9.222 -25.321 3.134 1.00 43.01 ATOM 718 HB1 PRO 43 -8.477 -26.037 2.819 1.00 37.64 ATOM 719 HB2 PRO 43 -9.821 -25.021 2.284 1.00 35.41 ATOM 720 CG PRO 43 -10.068 -25.866 4.236 1.00 32.53 ATOM 721 HG1 PRO 43 -10.218 -26.928 4.096 1.00 37.64 ATOM 722 HG2 PRO 43 -11.021 -25.352 4.258 1.00 53.44 ATOM 723 CD PRO 43 -9.303 -25.607 5.509 1.00 40.30 ATOM 724 HD1 PRO 43 -8.675 -26.452 5.751 1.00 37.64 ATOM 725 HD2 PRO 43 -9.982 -25.397 6.322 1.00 63.24 ATOM 726 C PRO 43 -9.326 -22.809 3.432 1.00 33.12 ATOM 727 O PRO 43 -10.561 -22.799 3.471 1.00 20.20 ATOM 728 N GLY 44 -8.607 -21.726 3.124 1.00 43.15 ATOM 729 HN GLY 44 -7.628 -21.783 3.141 1.00 37.64 ATOM 730 CA GLY 44 -9.250 -20.465 2.756 1.00 62.15 ATOM 731 HA1 GLY 44 -9.847 -20.629 1.871 1.00 37.64 ATOM 732 HA2 GLY 44 -8.480 -19.745 2.521 1.00 72.11 ATOM 733 C GLY 44 -10.138 -19.881 3.850 1.00 32.11 ATOM 734 O GLY 44 -11.198 -19.323 3.565 1.00 63.51 ATOM 735 N ALA 45 -9.708 -20.013 5.101 1.00 2.21 ATOM 736 HN ALA 45 -8.869 -20.490 5.265 1.00 37.64 ATOM 737 CA ALA 45 -10.454 -19.468 6.241 1.00 2.13 ATOM 738 HA ALA 45 -11.511 -19.553 6.019 1.00 61.12 ATOM 739 CB ALA 45 -10.170 -20.285 7.493 1.00 51.32 ATOM 740 HB1 ALA 45 -9.124 -20.196 7.754 1.00 55.04 ATOM 741 HB2 ALA 45 -10.407 -21.323 7.309 1.00 62.24 ATOM 742 HB3 ALA 45 -10.775 -19.918 8.309 1.00 62.24 ATOM 743 C ALA 45 -10.112 -17.988 6.478 1.00 73.42 ATOM 744 O ALA 45 -8.980 -17.560 6.253 1.00 22.12 ATOM 745 N SER 46 -11.095 -17.215 6.934 1.00 44.24 ATOM 746 HN SER 46 -11.972 -17.618 7.114 1.00 37.64 ATOM 747 CA SER 46 -10.904 -15.775 7.175 1.00 51.12 ATOM 748 HA SER 46 -10.090 -15.437 6.549 1.00 54.32 ATOM 749 CB SER 46 -12.172 -14.990 6.806 1.00 33.15 ATOM 750 HB1 SER 46 -12.504 -15.288 5.823 1.00 37.64 ATOM 751 HB2 SER 46 -11.952 -13.932 6.805 1.00 4.13 ATOM 752 OG SER 46 -13.221 -15.232 7.732 1.00 2.31 ATOM 753 HG SER 46 -13.520 -16.149 7.645 1.00 22.32 ATOM 754 C SER 46 -10.548 -15.487 8.639 1.00 61.24 ATOM 755 O SER 46 -10.517 -16.391 9.479 1.00 45.53 ATOM 756 N GLY 47 -10.298 -14.212 8.941 1.00 2.11 ATOM 757 HN GLY 47 -10.331 -13.538 8.229 1.00 37.64 ATOM 758 CA GLY 47 -9.965 -13.802 10.300 1.00 64.32 ATOM 759 HA1 GLY 47 -9.861 -12.727 10.319 1.00 37.64 ATOM 760 HA2 GLY 47 -9.018 -14.244 10.571 1.00 1.34 ATOM 761 C GLY 47 -11.010 -14.211 11.338 1.00 15.33 ATOM 762 O GLY 47 -10.677 -14.419 12.506 1.00 42.15 ATOM 763 N ALA 48 -12.272 -14.332 10.917 1.00 20.31 ATOM 764 HN ALA 48 -12.483 -14.138 9.979 1.00 37.64 ATOM 765 CA ALA 48 -13.355 -14.750 11.819 1.00 5.11 ATOM 766 HA ALA 48 -13.332 -14.103 12.687 1.00 3.40 ATOM 767 CB ALA 48 -14.707 -14.574 11.134 1.00 13.51 ATOM 768 HB1 ALA 48 -14.819 -13.546 10.818 1.00 20.32 ATOM 769 HB2 ALA 48 -15.500 -14.824 11.824 1.00 14.24 ATOM 770 HB3 ALA 48 -14.763 -15.222 10.272 1.00 64.14 ATOM 771 C ALA 48 -13.169 -16.205 12.283 1.00 41.43 ATOM 772 O ALA 48 -13.275 -16.509 13.474 1.00 74.22 ATOM 773 N GLU 49 -12.885 -17.101 11.335 1.00 33.12 ATOM 774 HN GLU 49 -12.866 -16.813 10.397 1.00 37.64 ATOM 775 CA GLU 49 -12.618 -18.511 11.657 1.00 2.31 ATOM 776 HA GLU 49 -13.450 -18.876 12.244 1.00 54.35 ATOM 777 CB GLU 49 -12.499 -19.361 10.376 1.00 72.40 ATOM 778 HB1 GLU 49 -12.149 -20.349 10.647 1.00 37.64 ATOM 779 HB2 GLU 49 -11.768 -18.904 9.723 1.00 63.21 ATOM 780 CG GLU 49 -13.802 -19.519 9.588 1.00 12.14 ATOM 781 HG1 GLU 49 -14.590 -19.800 10.275 1.00 37.64 ATOM 782 HG2 GLU 49 -13.673 -20.308 8.860 1.00 33.34 ATOM 783 CD GLU 49 -14.220 -18.253 8.859 1.00 24.35 ATOM 784 OE1 GLU 49 -14.973 -17.445 9.435 1.00 2.24 ATOM 785 OE2 GLU 49 -13.785 -18.057 7.704 1.00 24.50 ATOM 786 C GLU 49 -11.334 -18.649 12.489 1.00 50.23 ATOM 787 O GLU 49 -11.308 -19.345 13.508 1.00 44.22 ATOM 788 N VAL 50 -10.275 -17.970 12.051 1.00 34.14 ATOM 789 HN VAL 50 -10.364 -17.425 11.239 1.00 37.64 ATOM 790 CA VAL 50 -8.978 -18.018 12.741 1.00 54.54 ATOM 791 HA VAL 50 -8.675 -19.056 12.788 1.00 21.20 ATOM 792 CB VAL 50 -7.890 -17.235 11.961 1.00 35.33 ATOM 793 HB VAL 50 -8.174 -16.190 11.937 1.00 13.22 ATOM 794 CG1 VAL 50 -6.536 -17.342 12.663 1.00 55.11 ATOM 795 HG11 VAL 50 -6.252 -18.381 12.745 1.00 33.13 ATOM 796 HG12 VAL 50 -6.604 -16.911 13.652 1.00 41.15 ATOM 797 HG13 VAL 50 -5.788 -16.810 12.093 1.00 31.32 ATOM 798 CG2 VAL 50 -7.798 -17.734 10.517 1.00 24.22 ATOM 799 HG21 VAL 50 -8.753 -17.595 10.025 1.00 40.15 ATOM 800 HG22 VAL 50 -7.544 -18.785 10.512 1.00 10.41 ATOM 801 HG23 VAL 50 -7.037 -17.177 9.988 1.00 24.00 ATOM 802 C VAL 50 -9.073 -17.470 14.178 1.00 5.32 ATOM 803 O VAL 50 -8.497 -18.037 15.109 1.00 54.20 ATOM 804 N LYS 51 -9.799 -16.364 14.353 1.00 2.25 ATOM 805 HN LYS 51 -10.185 -15.918 13.570 1.00 37.64 ATOM 806 CA LYS 51 -10.034 -15.798 15.688 1.00 12.13 ATOM 807 HA LYS 51 -9.067 -15.651 16.153 1.00 30.30 ATOM 808 CB LYS 51 -10.748 -14.442 15.584 1.00 72.33 ATOM 809 HB1 LYS 51 -11.714 -14.591 15.119 1.00 37.64 ATOM 810 HB2 LYS 51 -10.158 -13.788 14.957 1.00 55.04 ATOM 811 CG LYS 51 -10.966 -13.748 16.929 1.00 64.45 ATOM 812 HG1 LYS 51 -10.029 -13.732 17.470 1.00 37.64 ATOM 813 HG2 LYS 51 -11.697 -14.306 17.496 1.00 34.22 ATOM 814 CD LYS 51 -11.463 -12.312 16.758 1.00 63.53 ATOM 815 HD1 LYS 51 -10.729 -11.753 16.193 1.00 37.64 ATOM 816 HD2 LYS 51 -11.578 -11.864 17.734 1.00 43.03 ATOM 817 CE LYS 51 -12.802 -12.245 16.031 1.00 71.42 ATOM 818 HE1 LYS 51 -12.707 -12.748 15.079 1.00 37.64 ATOM 819 HE2 LYS 51 -13.054 -11.207 15.862 1.00 74.15 ATOM 820 NZ LYS 51 -13.898 -12.883 16.809 1.00 21.43 ATOM 821 HZ1 LYS 51 -13.691 -13.889 16.964 1.00 54.55 ATOM 822 HZ2 LYS 51 -14.798 -12.801 16.293 1.00 11.04 ATOM 823 HZ3 LYS 51 -14.000 -12.417 17.734 1.00 72.43 ATOM 824 C LYS 51 -10.845 -16.775 16.552 1.00 44.25 ATOM 825 O LYS 51 -10.641 -16.867 17.765 1.00 62.24 ATOM 826 N GLY 52 -11.759 -17.508 15.914 1.00 1.45 ATOM 827 HN GLY 52 -11.951 -17.318 14.970 1.00 37.64 ATOM 828 CA GLY 52 -12.480 -18.574 16.599 1.00 75.22 ATOM 829 HA1 GLY 52 -13.180 -19.020 15.908 1.00 37.64 ATOM 830 HA2 GLY 52 -13.030 -18.149 17.428 1.00 21.12 ATOM 831 C GLY 52 -11.545 -19.661 17.121 1.00 75.25 ATOM 832 O GLY 52 -11.645 -20.083 18.274 1.00 64.43 ATOM 833 N VAL 53 -10.626 -20.107 16.263 1.00 72.31 ATOM 834 HN VAL 53 -10.646 -19.777 15.338 1.00 37.64 ATOM 835 CA VAL 53 -9.596 -21.077 16.650 1.00 23.14 ATOM 836 HA VAL 53 -10.096 -21.985 16.959 1.00 72.12 ATOM 837 CB VAL 53 -8.665 -21.415 15.453 1.00 2.43 ATOM 838 HB VAL 53 -8.228 -20.491 15.096 1.00 41.53 ATOM 839 CG1 VAL 53 -7.525 -22.342 15.879 1.00 33.30 ATOM 840 HG11 VAL 53 -6.944 -21.866 16.657 1.00 2.50 ATOM 841 HG12 VAL 53 -6.887 -22.545 15.031 1.00 53.14 ATOM 842 HG13 VAL 53 -7.933 -23.271 16.253 1.00 74.42 ATOM 843 CG2 VAL 53 -9.467 -22.032 14.307 1.00 13.20 ATOM 844 HG21 VAL 53 -9.933 -22.948 14.642 1.00 73.13 ATOM 845 HG22 VAL 53 -8.807 -22.248 13.479 1.00 32.42 ATOM 846 HG23 VAL 53 -10.230 -21.338 13.985 1.00 33.51 ATOM 847 C VAL 53 -8.747 -20.553 17.822 1.00 41.15 ATOM 848 O VAL 53 -8.509 -21.265 18.796 1.00 1.20 ATOM 849 N CYS 54 -8.305 -19.299 17.721 1.00 52.32 ATOM 850 HN CYS 54 -8.528 -18.781 16.917 1.00 37.64 ATOM 851 CA CYS 54 -7.496 -18.671 18.775 1.00 74.43 ATOM 852 HA CYS 54 -6.577 -19.234 18.864 1.00 52.31 ATOM 853 CB CYS 54 -7.157 -17.223 18.395 1.00 12.41 ATOM 854 HB1 CYS 54 -6.556 -16.784 19.179 1.00 37.64 ATOM 855 HB2 CYS 54 -8.074 -16.660 18.298 1.00 44.43 ATOM 856 SG CYS 54 -6.245 -17.048 16.841 1.00 5.44 ATOM 857 HG CYS 54 -6.670 -17.987 16.004 1.00 54.34 ATOM 858 C CYS 54 -8.224 -18.690 20.128 1.00 53.13 ATOM 859 O CYS 54 -7.642 -19.041 21.158 1.00 14.24 ATOM 860 N THR 55 -9.502 -18.318 20.117 1.00 64.41 ATOM 861 HN THR 55 -9.916 -18.062 19.263 1.00 37.64 ATOM 862 CA THR 55 -10.310 -18.273 21.343 1.00 53.42 ATOM 863 HA THR 55 -9.790 -17.654 22.062 1.00 55.14 ATOM 864 CB THR 55 -11.703 -17.645 21.079 1.00 1.54 ATOM 865 HB THR 55 -12.258 -18.301 20.420 1.00 2.01 ATOM 866 OG1 THR 55 -11.554 -16.367 20.440 1.00 52.20 ATOM 867 HG1 THR 55 -11.969 -16.397 19.568 1.00 31.02 ATOM 868 CG2 THR 55 -12.492 -17.475 22.376 1.00 13.15 ATOM 869 HG21 THR 55 -12.643 -18.440 22.837 1.00 41.15 ATOM 870 HG22 THR 55 -13.452 -17.025 22.160 1.00 50.24 ATOM 871 HG23 THR 55 -11.941 -16.836 23.052 1.00 10.42 ATOM 872 C THR 55 -10.511 -19.673 21.941 1.00 11.13 ATOM 873 O THR 55 -10.216 -19.909 23.116 1.00 45.02 ATOM 874 N GLU 56 -10.989 -20.604 21.115 1.00 60.24 ATOM 875 HN GLU 56 -11.133 -20.374 20.170 1.00 37.64 ATOM 876 CA GLU 56 -11.316 -21.958 21.575 1.00 55.24 ATOM 877 HA GLU 56 -11.940 -21.854 22.452 1.00 51.42 ATOM 878 CB GLU 56 -12.118 -22.701 20.498 1.00 45.00 ATOM 879 HB1 GLU 56 -12.338 -23.699 20.852 1.00 37.64 ATOM 880 HB2 GLU 56 -11.517 -22.771 19.602 1.00 61.51 ATOM 881 CG GLU 56 -13.439 -22.019 20.138 1.00 44.33 ATOM 882 HG1 GLU 56 -13.937 -22.609 19.380 1.00 37.64 ATOM 883 HG2 GLU 56 -13.224 -21.037 19.737 1.00 22.12 ATOM 884 CD GLU 56 -14.376 -21.864 21.331 1.00 1.14 ATOM 885 OE1 GLU 56 -15.212 -22.760 21.558 1.00 3.52 ATOM 886 OE2 GLU 56 -14.280 -20.845 22.049 1.00 32.33 ATOM 887 C GLU 56 -10.064 -22.756 21.972 1.00 11.44 ATOM 888 O GLU 56 -10.122 -23.604 22.865 1.00 52.54 ATOM 889 N ALA 57 -8.934 -22.482 21.317 1.00 23.31 ATOM 890 HN ALA 57 -8.958 -21.863 20.557 1.00 37.64 ATOM 891 CA ALA 57 -7.655 -23.098 21.701 1.00 50.04 ATOM 892 HA ALA 57 -7.746 -24.168 21.568 1.00 4.35 ATOM 893 CB ALA 57 -6.531 -22.598 20.802 1.00 34.14 ATOM 894 HB1 ALA 57 -6.418 -21.530 20.924 1.00 34.50 ATOM 895 HB2 ALA 57 -6.769 -22.818 19.772 1.00 2.13 ATOM 896 HB3 ALA 57 -5.607 -23.090 21.071 1.00 23.23 ATOM 897 C ALA 57 -7.333 -22.804 23.171 1.00 13.22 ATOM 898 O ALA 57 -6.963 -23.699 23.936 1.00 5.32 ATOM 899 N GLY 58 -7.495 -21.538 23.559 1.00 54.15 ATOM 900 HN GLY 58 -7.729 -20.862 22.889 1.00 37.64 ATOM 901 CA GLY 58 -7.327 -21.149 24.952 1.00 0.32 ATOM 902 HA1 GLY 58 -7.508 -20.089 25.040 1.00 37.64 ATOM 903 HA2 GLY 58 -6.308 -21.356 25.252 1.00 74.13 ATOM 904 C GLY 58 -8.280 -21.889 25.886 1.00 64.21 ATOM 905 O GLY 58 -7.933 -22.186 27.024 1.00 2.11 ATOM 906 N MET 59 -9.481 -22.200 25.397 1.00 2.31 ATOM 907 HN MET 59 -9.710 -21.917 24.487 1.00 37.64 ATOM 908 CA MET 59 -10.465 -22.960 26.181 1.00 23.43 ATOM 909 HA MET 59 -10.589 -22.458 27.129 1.00 22.53 ATOM 910 CB MET 59 -11.819 -22.998 25.453 1.00 21.52 ATOM 911 HB1 MET 59 -12.535 -23.501 26.087 1.00 37.64 ATOM 912 HB2 MET 59 -11.706 -23.565 24.540 1.00 40.13 ATOM 913 CG MET 59 -12.390 -21.625 25.093 1.00 43.12 ATOM 914 HG1 MET 59 -12.994 -21.726 24.201 1.00 37.64 ATOM 915 HG2 MET 59 -11.571 -20.952 24.888 1.00 1.40 ATOM 916 SD MET 59 -13.415 -20.895 26.397 1.00 4.30 ATOM 917 CE MET 59 -12.213 -20.558 27.683 1.00 30.13 ATOM 918 HE1 MET 59 -11.420 -19.943 27.284 1.00 73.14 ATOM 919 HE2 MET 59 -11.803 -21.490 28.044 1.00 14.13 ATOM 920 HE3 MET 59 -12.696 -20.039 28.497 1.00 62.14 ATOM 921 C MET 59 -9.972 -24.395 26.443 1.00 33.33 ATOM 922 O MET 59 -10.061 -24.900 27.567 1.00 4.34 ATOM 923 N TYR 60 -9.452 -25.045 25.398 1.00 63.45 ATOM 924 HN TYR 60 -9.454 -24.609 24.518 1.00 37.64 ATOM 925 CA TYR 60 -8.880 -26.394 25.524 1.00 51.01 ATOM 926 HA TYR 60 -9.635 -27.021 25.979 1.00 50.20 ATOM 927 CB TYR 60 -8.536 -26.972 24.142 1.00 44.24 ATOM 928 HB1 TYR 60 -7.852 -27.802 24.261 1.00 37.64 ATOM 929 HB2 TYR 60 -8.061 -26.205 23.546 1.00 55.53 ATOM 930 CG TYR 60 -9.751 -27.474 23.380 1.00 4.34 ATOM 931 CD1 TYR 60 -10.385 -26.683 22.428 1.00 23.04 ATOM 932 HD1 TYR 60 -9.996 -25.698 22.218 1.00 13.44 ATOM 933 CD2 TYR 60 -10.273 -28.741 23.631 1.00 44.32 ATOM 934 HD2 TYR 60 -9.793 -29.370 24.366 1.00 24.45 ATOM 935 CE1 TYR 60 -11.498 -27.138 21.752 1.00 31.10 ATOM 936 HE1 TYR 60 -11.977 -26.509 21.016 1.00 75.00 ATOM 937 CE2 TYR 60 -11.385 -29.202 22.953 1.00 72.43 ATOM 938 HE2 TYR 60 -11.774 -30.189 23.161 1.00 41.24 ATOM 939 CZ TYR 60 -11.994 -28.396 22.018 1.00 60.13 ATOM 940 OH TYR 60 -13.107 -28.848 21.345 1.00 54.33 ATOM 941 HH TYR 60 -13.631 -29.406 21.931 1.00 22.25 ATOM 942 C TYR 60 -7.642 -26.402 26.432 1.00 31.23 ATOM 943 O TYR 60 -7.358 -27.394 27.109 1.00 4.42 ATOM 944 N ALA 61 -6.905 -25.303 26.447 1.00 24.44 ATOM 945 HN ALA 61 -7.101 -24.588 25.804 1.00 37.64 ATOM 946 CA ALA 61 -5.785 -25.148 27.374 1.00 30.44 ATOM 947 HA ALA 61 -5.196 -26.056 27.337 1.00 51.01 ATOM 948 CB ALA 61 -4.895 -23.991 26.933 1.00 60.43 ATOM 949 HB1 ALA 61 -4.038 -23.923 27.588 1.00 45.10 ATOM 950 HB2 ALA 61 -5.455 -23.067 26.976 1.00 63.34 ATOM 951 HB3 ALA 61 -4.560 -24.160 25.920 1.00 24.35 ATOM 952 C ALA 61 -6.273 -24.936 28.819 1.00 2.33 ATOM 953 O ALA 61 -5.864 -25.648 29.739 1.00 62.20 ATOM 954 N LEU 62 -7.172 -23.969 29.005 1.00 74.11 ATOM 955 HN LEU 62 -7.523 -23.495 28.223 1.00 37.64 ATOM 956 CA LEU 62 -7.654 -23.586 30.341 1.00 31.35 ATOM 957 HA LEU 62 -6.781 -23.354 30.937 1.00 51.40 ATOM 958 CB LEU 62 -8.527 -22.323 30.260 1.00 71.33 ATOM 959 HB1 LEU 62 -8.972 -22.154 31.230 1.00 37.64 ATOM 960 HB2 LEU 62 -9.321 -22.506 29.548 1.00 23.41 ATOM 961 CG LEU 62 -7.787 -21.039 29.841 1.00 34.34 ATOM 962 HG LEU 62 -7.378 -21.176 28.850 1.00 64.31 ATOM 963 CD1 LEU 62 -8.745 -19.852 29.788 1.00 21.30 ATOM 964 HD11 LEU 62 -9.184 -19.698 30.764 1.00 13.44 ATOM 965 HD12 LEU 62 -9.526 -20.050 29.069 1.00 13.11 ATOM 966 HD13 LEU 62 -8.202 -18.964 29.494 1.00 53.24 ATOM 967 CD2 LEU 62 -6.625 -20.753 30.791 1.00 41.23 ATOM 968 HD21 LEU 62 -7.002 -20.619 31.795 1.00 52.40 ATOM 969 HD22 LEU 62 -6.116 -19.854 30.476 1.00 53.33 ATOM 970 HD23 LEU 62 -5.931 -21.582 30.775 1.00 24.00 ATOM 971 C LEU 62 -8.421 -24.716 31.049 1.00 75.11 ATOM 972 O LEU 62 -8.423 -24.782 32.279 1.00 72.34 ATOM 973 N ARG 63 -9.066 -25.606 30.288 1.00 53.33 ATOM 974 HN ARG 63 -9.086 -25.482 29.313 1.00 37.64 ATOM 975 CA ARG 63 -9.759 -26.759 30.891 1.00 64.42 ATOM 976 HA ARG 63 -10.465 -26.368 31.612 1.00 20.32 ATOM 977 CB ARG 63 -10.534 -27.563 29.835 1.00 60.42 ATOM 978 HB1 ARG 63 -11.272 -26.914 29.382 1.00 37.64 ATOM 979 HB2 ARG 63 -11.044 -28.380 30.324 1.00 14.54 ATOM 980 CG ARG 63 -9.665 -28.139 28.728 1.00 44.01 ATOM 981 HG1 ARG 63 -8.913 -28.778 29.172 1.00 37.64 ATOM 982 HG2 ARG 63 -9.182 -27.327 28.206 1.00 72.34 ATOM 983 CD ARG 63 -10.477 -28.953 27.726 1.00 71.32 ATOM 984 HD1 ARG 63 -9.842 -29.211 26.889 1.00 37.64 ATOM 985 HD2 ARG 63 -11.302 -28.349 27.375 1.00 65.24 ATOM 986 NE ARG 63 -11.001 -30.180 28.315 1.00 33.45 ATOM 987 HE ARG 63 -10.457 -30.618 29.003 1.00 25.15 ATOM 988 CZ ARG 63 -12.123 -30.742 27.976 1.00 74.44 ATOM 989 NH1 ARG 63 -12.894 -30.191 27.090 1.00 5.25 ATOM 990 HH11 ARG 63 -12.627 -29.333 26.667 1.00 30.45 ATOM 991 HH12 ARG 63 -13.756 -30.627 26.839 1.00 45.01 ATOM 992 NH2 ARG 63 -12.474 -31.856 28.528 1.00 43.00 ATOM 993 HH21 ARG 63 -11.875 -32.278 29.208 1.00 11.45 ATOM 994 HH22 ARG 63 -13.335 -32.287 28.283 1.00 5.21 ATOM 995 C ARG 63 -8.768 -27.669 31.640 1.00 21.22 ATOM 996 O ARG 63 -9.099 -28.242 32.676 1.00 50.25 ATOM 997 N GLU 64 -7.549 -27.782 31.111 1.00 1.23 ATOM 998 HN GLU 64 -7.370 -27.379 30.234 1.00 37.64 ATOM 999 CA GLU 64 -6.465 -28.498 31.799 1.00 61.24 ATOM 1000 HA GLU 64 -6.913 -29.202 32.488 1.00 30.42 ATOM 1001 CB GLU 64 -5.598 -29.267 30.791 1.00 1.43 ATOM 1002 HB1 GLU 64 -4.739 -29.670 31.309 1.00 37.64 ATOM 1003 HB2 GLU 64 -5.254 -28.579 30.031 1.00 35.14 ATOM 1004 CG GLU 64 -6.321 -30.419 30.098 1.00 73.44 ATOM 1005 HG1 GLU 64 -7.033 -30.008 29.395 1.00 37.64 ATOM 1006 HG2 GLU 64 -6.848 -30.997 30.842 1.00 74.41 ATOM 1007 CD GLU 64 -5.370 -31.343 29.350 1.00 44.33 ATOM 1008 OE1 GLU 64 -5.763 -31.908 28.309 1.00 42.54 ATOM 1009 OE2 GLU 64 -4.219 -31.512 29.809 1.00 72.34 ATOM 1010 C GLU 64 -5.587 -27.523 32.599 1.00 51.12 ATOM 1011 O GLU 64 -4.519 -27.888 33.093 1.00 33.43 ATOM 1012 N ARG 65 -6.052 -26.279 32.708 1.00 64.25 ATOM 1013 HN ARG 65 -6.911 -26.067 32.291 1.00 37.64 ATOM 1014 CA ARG 65 -5.341 -25.218 33.432 1.00 53.43 ATOM 1015 HA ARG 65 -5.930 -24.318 33.327 1.00 3.13 ATOM 1016 CB ARG 65 -5.254 -25.564 34.929 1.00 10.10 ATOM 1017 HB1 ARG 65 -4.724 -24.774 35.444 1.00 37.64 ATOM 1018 HB2 ARG 65 -4.704 -26.489 35.044 1.00 3.32 ATOM 1019 CG ARG 65 -6.624 -25.734 35.586 1.00 63.11 ATOM 1020 HG1 ARG 65 -6.485 -25.936 36.640 1.00 37.64 ATOM 1021 HG2 ARG 65 -7.131 -26.568 35.123 1.00 65.33 ATOM 1022 CD ARG 65 -7.485 -24.480 35.426 1.00 51.31 ATOM 1023 HD1 ARG 65 -7.497 -24.199 34.382 1.00 37.64 ATOM 1024 HD2 ARG 65 -7.046 -23.680 36.004 1.00 70.42 ATOM 1025 NE ARG 65 -8.863 -24.683 35.876 1.00 32.02 ATOM 1026 HE ARG 65 -9.027 -25.387 36.534 1.00 42.11 ATOM 1027 CZ ARG 65 -9.881 -23.979 35.451 1.00 4.44 ATOM 1028 NH1 ARG 65 -9.715 -23.063 34.548 1.00 31.12 ATOM 1029 HH11 ARG 65 -8.811 -22.894 34.173 1.00 24.04 ATOM 1030 HH12 ARG 65 -10.498 -22.532 34.228 1.00 74.35 ATOM 1031 NH2 ARG 65 -11.069 -24.209 35.908 1.00 42.24 ATOM 1032 HH21 ARG 65 -11.213 -24.929 36.586 1.00 54.15 ATOM 1033 HH22 ARG 65 -11.841 -23.668 35.585 1.00 60.34 ATOM 1034 C ARG 65 -3.948 -24.942 32.837 1.00 23.44 ATOM 1035 O ARG 65 -3.058 -24.439 33.522 1.00 5.32 ATOM 1036 N ARG 66 -3.782 -25.251 31.549 1.00 21.41 ATOM 1037 HN ARG 66 -4.517 -25.684 31.070 1.00 37.64 ATOM 1038 CA ARG 66 -2.537 -24.956 30.827 1.00 24.14 ATOM 1039 HA ARG 66 -1.715 -25.374 31.389 1.00 13.22 ATOM 1040 CB ARG 66 -2.562 -25.586 29.421 1.00 63.41 ATOM 1041 HB1 ARG 66 -1.638 -25.338 28.916 1.00 37.64 ATOM 1042 HB2 ARG 66 -3.383 -25.155 28.868 1.00 21.20 ATOM 1043 CG ARG 66 -2.725 -27.104 29.397 1.00 63.52 ATOM 1044 HG1 ARG 66 -3.637 -27.366 29.914 1.00 37.64 ATOM 1045 HG2 ARG 66 -1.882 -27.559 29.899 1.00 33.31 ATOM 1046 CD ARG 66 -2.794 -27.637 27.962 1.00 73.51 ATOM 1047 HD1 ARG 66 -1.902 -27.329 27.433 1.00 37.64 ATOM 1048 HD2 ARG 66 -3.661 -27.213 27.476 1.00 72.32 ATOM 1049 NE ARG 66 -2.893 -29.097 27.915 1.00 44.02 ATOM 1050 HE ARG 66 -2.694 -29.587 28.734 1.00 34.42 ATOM 1051 CZ ARG 66 -3.223 -29.785 26.849 1.00 65.14 ATOM 1052 NH1 ARG 66 -3.505 -29.195 25.735 1.00 64.31 ATOM 1053 HH11 ARG 66 -3.479 -28.198 25.669 1.00 33.52 ATOM 1054 HH12 ARG 66 -3.763 -29.734 24.939 1.00 21.35 ATOM 1055 NH2 ARG 66 -3.276 -31.075 26.909 1.00 61.43 ATOM 1056 HH21 ARG 66 -3.065 -31.544 27.764 1.00 71.35 ATOM 1057 HH22 ARG 66 -3.540 -31.600 26.103 1.00 51.23 ATOM 1058 C ARG 66 -2.334 -23.438 30.684 1.00 50.11 ATOM 1059 O ARG 66 -3.135 -22.761 30.038 1.00 70.22 ATOM 1060 N VAL 67 -1.278 -22.904 31.293 1.00 2.44 ATOM 1061 HN VAL 67 -0.713 -23.472 31.860 1.00 37.64 ATOM 1062 CA VAL 67 -0.947 -21.483 31.132 1.00 73.15 ATOM 1063 HA VAL 67 -1.861 -20.912 31.244 1.00 25.02 ATOM 1064 CB VAL 67 0.068 -21.003 32.202 1.00 21.53 ATOM 1065 HB VAL 67 1.008 -21.507 32.023 1.00 65.23 ATOM 1066 CG1 VAL 67 0.314 -19.496 32.087 1.00 43.24 ATOM 1067 HG11 VAL 67 -0.617 -18.965 32.225 1.00 12.11 ATOM 1068 HG12 VAL 67 0.716 -19.268 31.110 1.00 23.22 ATOM 1069 HG13 VAL 67 1.020 -19.186 32.845 1.00 71.33 ATOM 1070 CG2 VAL 67 -0.410 -21.373 33.607 1.00 40.01 ATOM 1071 HG21 VAL 67 -0.521 -22.446 33.679 1.00 55.04 ATOM 1072 HG22 VAL 67 -1.364 -20.901 33.802 1.00 32.12 ATOM 1073 HG23 VAL 67 0.313 -21.037 34.337 1.00 65.33 ATOM 1074 C VAL 67 -0.371 -21.230 29.732 1.00 14.35 ATOM 1075 O VAL 67 -0.615 -20.192 29.116 1.00 12.24 ATOM 1076 N HIS 68 0.402 -22.198 29.243 1.00 52.33 ATOM 1077 HN HIS 68 0.607 -22.969 29.815 1.00 37.64 ATOM 1078 CA HIS 68 0.959 -22.154 27.892 1.00 42.42 ATOM 1079 HA HIS 68 0.893 -21.135 27.537 1.00 73.05 ATOM 1080 CB HIS 68 2.432 -22.573 27.922 1.00 71.22 ATOM 1081 HB1 HIS 68 2.817 -22.599 26.911 1.00 37.64 ATOM 1082 HB2 HIS 68 2.512 -23.558 28.357 1.00 22.32 ATOM 1083 CG HIS 68 3.293 -21.643 28.721 1.00 42.51 ATOM 1084 ND1 HIS 68 3.645 -21.874 30.034 1.00 51.43 ATOM 1085 HD1 HIS 68 3.401 -22.665 30.565 1.00 55.24 ATOM 1086 CD2 HIS 68 3.863 -20.462 28.388 1.00 40.23 ATOM 1087 HD2 HIS 68 3.799 -19.970 27.428 1.00 3.21 ATOM 1088 CE1 HIS 68 4.387 -20.877 30.472 1.00 11.45 ATOM 1089 HE1 HIS 68 4.802 -20.787 31.465 1.00 41.32 ATOM 1090 NE2 HIS 68 4.535 -20.008 29.495 1.00 62.03 ATOM 1091 HE2 HIS 68 4.906 -19.105 29.600 1.00 37.64 ATOM 1092 C HIS 68 0.167 -23.060 26.934 1.00 2.14 ATOM 1093 O HIS 68 0.256 -24.289 27.007 1.00 4.31 ATOM 1094 N VAL 69 -0.609 -22.440 26.047 1.00 3.31 ATOM 1095 HN VAL 69 -0.638 -21.461 26.052 1.00 37.64 ATOM 1096 CA VAL 69 -1.418 -23.166 25.062 1.00 4.33 ATOM 1097 HA VAL 69 -2.049 -23.861 25.599 1.00 60.14 ATOM 1098 CB VAL 69 -2.328 -22.197 24.260 1.00 22.23 ATOM 1099 HB VAL 69 -1.694 -21.583 23.634 1.00 23.43 ATOM 1100 CG1 VAL 69 -3.285 -22.966 23.346 1.00 71.55 ATOM 1101 HG11 VAL 69 -2.716 -23.562 22.646 1.00 53.11 ATOM 1102 HG12 VAL 69 -3.904 -22.269 22.800 1.00 1.13 ATOM 1103 HG13 VAL 69 -3.913 -23.615 23.940 1.00 0.40 ATOM 1104 CG2 VAL 69 -3.093 -21.270 25.204 1.00 61.25 ATOM 1105 HG21 VAL 69 -3.716 -21.858 25.862 1.00 72.20 ATOM 1106 HG22 VAL 69 -3.712 -20.597 24.629 1.00 31.31 ATOM 1107 HG23 VAL 69 -2.390 -20.696 25.793 1.00 44.01 ATOM 1108 C VAL 69 -0.524 -23.948 24.083 1.00 50.13 ATOM 1109 O VAL 69 0.517 -23.450 23.639 1.00 30.42 ATOM 1110 N THR 70 -0.930 -25.172 23.747 1.00 54.42 ATOM 1111 HN THR 70 -1.792 -25.501 24.087 1.00 37.64 ATOM 1112 CA THR 70 -0.127 -26.033 22.866 1.00 2.52 ATOM 1113 HA THR 70 0.862 -25.600 22.788 1.00 31.23 ATOM 1114 CB THR 70 0.023 -27.468 23.433 1.00 61.15 ATOM 1115 HB THR 70 0.811 -27.974 22.891 1.00 0.53 ATOM 1116 OG1 THR 70 -1.199 -28.204 23.268 1.00 14.02 ATOM 1117 HG1 THR 70 -1.880 -27.830 23.841 1.00 41.33 ATOM 1118 CG2 THR 70 0.400 -27.431 24.913 1.00 14.13 ATOM 1119 HG21 THR 70 0.546 -28.439 25.273 1.00 5.32 ATOM 1120 HG22 THR 70 -0.394 -26.960 25.476 1.00 41.41 ATOM 1121 HG23 THR 70 1.314 -26.866 25.041 1.00 41.11 ATOM 1122 C THR 70 -0.727 -26.126 21.461 1.00 35.11 ATOM 1123 O THR 70 -1.901 -25.815 21.248 1.00 54.23 ATOM 1124 N GLN 71 0.091 -26.561 20.507 1.00 74.24 ATOM 1125 HN GLN 71 1.023 -26.760 20.740 1.00 37.64 ATOM 1126 CA GLN 71 -0.341 -26.753 19.119 1.00 5.23 ATOM 1127 HA GLN 71 -0.550 -25.782 18.692 1.00 21.23 ATOM 1128 CB GLN 71 0.795 -27.413 18.330 1.00 31.00 ATOM 1129 HB1 GLN 71 1.077 -28.330 18.829 1.00 37.64 ATOM 1130 HB2 GLN 71 1.647 -26.746 18.324 1.00 62.12 ATOM 1131 CG GLN 71 0.442 -27.742 16.888 1.00 24.14 ATOM 1132 HG1 GLN 71 0.308 -26.819 16.342 1.00 37.64 ATOM 1133 HG2 GLN 71 -0.482 -28.302 16.877 1.00 24.05 ATOM 1134 CD GLN 71 1.509 -28.571 16.199 1.00 71.20 ATOM 1135 OE1 GLN 71 2.210 -29.352 16.833 1.00 21.24 ATOM 1136 NE2 GLN 71 1.656 -28.396 14.904 1.00 73.44 ATOM 1137 HE21 GLN 71 1.080 -27.744 14.459 1.00 14.42 ATOM 1138 HE22 GLN 71 2.332 -28.936 14.442 1.00 24.31 ATOM 1139 C GLN 71 -1.606 -27.625 19.032 1.00 22.03 ATOM 1140 O GLN 71 -2.517 -27.354 18.243 1.00 72.23 ATOM 1141 N GLU 72 -1.652 -28.660 19.864 1.00 13.13 ATOM 1142 HN GLU 72 -0.920 -28.781 20.504 1.00 37.64 ATOM 1143 CA GLU 72 -2.760 -29.618 19.868 1.00 62.54 ATOM 1144 HA GLU 72 -2.853 -30.013 18.865 1.00 60.23 ATOM 1145 CB GLU 72 -2.432 -30.773 20.820 1.00 33.44 ATOM 1146 HB1 GLU 72 -3.273 -31.450 20.856 1.00 37.64 ATOM 1147 HB2 GLU 72 -2.260 -30.372 21.810 1.00 41.04 ATOM 1148 CG GLU 72 -1.196 -31.564 20.398 1.00 12.50 ATOM 1149 HG1 GLU 72 -0.383 -30.870 20.224 1.00 37.64 ATOM 1150 HG2 GLU 72 -1.417 -32.087 19.478 1.00 31.24 ATOM 1151 CD GLU 72 -0.755 -32.579 21.437 1.00 74.12 ATOM 1152 OE1 GLU 72 -1.318 -33.693 21.469 1.00 62.25 ATOM 1153 OE2 GLU 72 0.158 -32.268 22.228 1.00 5.00 ATOM 1154 C GLU 72 -4.096 -28.955 20.250 1.00 20.31 ATOM 1155 O GLU 72 -5.160 -29.373 19.793 1.00 50.30 ATOM 1156 N ASP 73 -4.034 -27.911 21.074 1.00 52.53 ATOM 1157 HN ASP 73 -3.166 -27.646 21.448 1.00 37.64 ATOM 1158 CA ASP 73 -5.235 -27.151 21.439 1.00 72.15 ATOM 1159 HA ASP 73 -5.991 -27.859 21.751 1.00 11.13 ATOM 1160 CB ASP 73 -4.929 -26.206 22.606 1.00 24.52 ATOM 1161 HB1 ASP 73 -5.811 -25.624 22.834 1.00 37.64 ATOM 1162 HB2 ASP 73 -4.128 -25.539 22.318 1.00 23.42 ATOM 1163 CG ASP 73 -4.508 -26.956 23.859 1.00 43.32 ATOM 1164 OD1 ASP 73 -3.375 -26.737 24.347 1.00 65.00 ATOM 1165 OD2 ASP 73 -5.300 -27.781 24.352 1.00 1.32 ATOM 1166 C ASP 73 -5.773 -26.355 20.236 1.00 14.32 ATOM 1167 O ASP 73 -6.986 -26.280 20.013 1.00 23.23 ATOM 1168 N PHE 74 -4.860 -25.770 19.458 1.00 61.45 ATOM 1169 HN PHE 74 -3.910 -25.858 19.693 1.00 37.64 ATOM 1170 CA PHE 74 -5.231 -25.002 18.265 1.00 73.11 ATOM 1171 HA PHE 74 -5.920 -24.227 18.576 1.00 11.43 ATOM 1172 CB PHE 74 -3.993 -24.335 17.645 1.00 11.02 ATOM 1173 HB1 PHE 74 -4.249 -23.954 16.666 1.00 37.64 ATOM 1174 HB2 PHE 74 -3.211 -25.075 17.540 1.00 1.51 ATOM 1175 CG PHE 74 -3.443 -23.189 18.460 1.00 12.43 ATOM 1176 CD1 PHE 74 -2.406 -23.385 19.363 1.00 63.11 ATOM 1177 HD1 PHE 74 -1.986 -24.374 19.485 1.00 25.32 ATOM 1178 CD2 PHE 74 -3.967 -21.910 18.317 1.00 32.14 ATOM 1179 HD2 PHE 74 -4.774 -21.740 17.618 1.00 31.32 ATOM 1180 CE1 PHE 74 -1.906 -22.329 20.104 1.00 44.23 ATOM 1181 HE1 PHE 74 -1.099 -22.495 20.805 1.00 42.25 ATOM 1182 CE2 PHE 74 -3.470 -20.854 19.057 1.00 54.51 ATOM 1183 HE2 PHE 74 -3.888 -19.865 18.937 1.00 34.34 ATOM 1184 CZ PHE 74 -2.440 -21.064 19.951 1.00 60.14 ATOM 1185 HZ PHE 74 -2.051 -20.238 20.531 1.00 52.43 ATOM 1186 C PHE 74 -5.934 -25.880 17.217 1.00 24.12 ATOM 1187 O PHE 74 -7.008 -25.533 16.728 1.00 3.13 ATOM 1188 N GLU 75 -5.331 -27.020 16.880 1.00 21.14 ATOM 1189 HN GLU 75 -4.481 -27.258 17.312 1.00 37.64 ATOM 1190 CA GLU 75 -5.909 -27.926 15.875 1.00 24.33 ATOM 1191 HA GLU 75 -6.052 -27.350 14.971 1.00 71.00 ATOM 1192 CB GLU 75 -4.951 -29.080 15.566 1.00 12.44 ATOM 1193 HB1 GLU 75 -4.038 -28.672 15.155 1.00 37.64 ATOM 1194 HB2 GLU 75 -5.409 -29.722 14.826 1.00 34.23 ATOM 1195 CG GLU 75 -4.592 -29.930 16.773 1.00 60.12 ATOM 1196 HG1 GLU 75 -5.500 -30.348 17.187 1.00 37.64 ATOM 1197 HG2 GLU 75 -4.120 -29.301 17.516 1.00 15.34 ATOM 1198 CD GLU 75 -3.648 -31.065 16.422 1.00 43.21 ATOM 1199 OE1 GLU 75 -4.127 -32.195 16.192 1.00 21.34 ATOM 1200 OE2 GLU 75 -2.427 -30.827 16.345 1.00 1.54 ATOM 1201 C GLU 75 -7.277 -28.474 16.316 1.00 32.32 ATOM 1202 O GLU 75 -8.160 -28.696 15.485 1.00 70.43 ATOM 1203 N MET 76 -7.448 -28.696 17.622 1.00 44.25 ATOM 1204 HN MET 76 -6.680 -28.609 18.227 1.00 37.64 ATOM 1205 CA MET 76 -8.756 -29.079 18.172 1.00 23.23 ATOM 1206 HA MET 76 -9.080 -29.974 17.658 1.00 25.32 ATOM 1207 CB MET 76 -8.643 -29.382 19.672 1.00 32.41 ATOM 1208 HB1 MET 76 -9.632 -29.372 20.107 1.00 37.64 ATOM 1209 HB2 MET 76 -8.047 -28.610 20.141 1.00 44.25 ATOM 1210 CG MET 76 -8.003 -30.731 19.977 1.00 54.23 ATOM 1211 HG1 MET 76 -7.924 -30.845 21.049 1.00 37.64 ATOM 1212 HG2 MET 76 -7.014 -30.756 19.541 1.00 24.22 ATOM 1213 SD MET 76 -8.962 -32.115 19.318 1.00 55.21 ATOM 1214 CE MET 76 -10.554 -31.837 20.095 1.00 11.15 ATOM 1215 HE1 MET 76 -10.935 -30.869 19.801 1.00 22.43 ATOM 1216 HE2 MET 76 -10.440 -31.868 21.169 1.00 12.10 ATOM 1217 HE3 MET 76 -11.245 -32.605 19.782 1.00 75.23 ATOM 1218 C MET 76 -9.794 -27.977 17.928 1.00 0.04 ATOM 1219 O MET 76 -10.950 -28.252 17.602 1.00 61.55 ATOM 1220 N ALA 77 -9.368 -26.726 18.082 1.00 0.35 ATOM 1221 HN ALA 77 -8.456 -26.571 18.414 1.00 37.64 ATOM 1222 CA ALA 77 -10.219 -25.577 17.777 1.00 2.41 ATOM 1223 HA ALA 77 -11.153 -25.705 18.310 1.00 63.13 ATOM 1224 CB ALA 77 -9.562 -24.296 18.273 1.00 11.34 ATOM 1225 HB1 ALA 77 -10.218 -23.457 18.090 1.00 31.15 ATOM 1226 HB2 ALA 77 -8.628 -24.143 17.752 1.00 25.33 ATOM 1227 HB3 ALA 77 -9.371 -24.377 19.334 1.00 22.12 ATOM 1228 C ALA 77 -10.518 -25.496 16.269 1.00 31.51 ATOM 1229 O ALA 77 -11.640 -25.189 15.865 1.00 34.32 ATOM 1230 N VAL 78 -9.510 -25.787 15.443 1.00 73.03 ATOM 1231 HN VAL 78 -8.625 -25.971 15.823 1.00 37.64 ATOM 1232 CA VAL 78 -9.683 -25.832 13.983 1.00 4.44 ATOM 1233 HA VAL 78 -9.995 -24.849 13.656 1.00 53.32 ATOM 1234 CB VAL 78 -8.357 -26.190 13.261 1.00 34.32 ATOM 1235 HB VAL 78 -8.002 -27.134 13.656 1.00 31.12 ATOM 1236 CG1 VAL 78 -8.579 -26.358 11.757 1.00 55.23 ATOM 1237 HG11 VAL 78 -9.276 -27.165 11.583 1.00 30.33 ATOM 1238 HG12 VAL 78 -7.639 -26.588 11.275 1.00 51.34 ATOM 1239 HG13 VAL 78 -8.980 -25.444 11.344 1.00 21.33 ATOM 1240 CG2 VAL 78 -7.290 -25.130 13.532 1.00 42.14 ATOM 1241 HG21 VAL 78 -7.119 -25.053 14.595 1.00 35.25 ATOM 1242 HG22 VAL 78 -7.622 -24.174 13.152 1.00 64.30 ATOM 1243 HG23 VAL 78 -6.369 -25.410 13.040 1.00 14.22 ATOM 1244 C VAL 78 -10.761 -26.848 13.586 1.00 14.13 ATOM 1245 O VAL 78 -11.669 -26.536 12.815 1.00 42.44 ATOM 1246 N ALA 79 -10.654 -28.061 14.124 1.00 3.23 ATOM 1247 HN ALA 79 -9.887 -28.260 14.701 1.00 37.64 ATOM 1248 CA ALA 79 -11.647 -29.111 13.875 1.00 64.21 ATOM 1249 HA ALA 79 -11.641 -29.330 12.814 1.00 55.50 ATOM 1250 CB ALA 79 -11.264 -30.382 14.624 1.00 14.13 ATOM 1251 HB1 ALA 79 -11.274 -30.191 15.687 1.00 21.35 ATOM 1252 HB2 ALA 79 -10.274 -30.693 14.325 1.00 43.40 ATOM 1253 HB3 ALA 79 -11.973 -31.164 14.392 1.00 52.21 ATOM 1254 C ALA 79 -13.056 -28.654 14.280 1.00 63.12 ATOM 1255 O ALA 79 -14.036 -28.946 13.598 1.00 10.25 ATOM 1256 N LYS 80 -13.141 -27.920 15.389 1.00 51.23 ATOM 1257 HN LYS 80 -12.324 -27.746 15.902 1.00 37.64 ATOM 1258 CA LYS 80 -14.415 -27.376 15.876 1.00 25.54 ATOM 1259 HA LYS 80 -15.113 -28.197 15.971 1.00 50.23 ATOM 1260 CB LYS 80 -14.211 -26.733 17.253 1.00 14.42 ATOM 1261 HB1 LYS 80 -13.491 -25.933 17.159 1.00 37.64 ATOM 1262 HB2 LYS 80 -13.815 -27.480 17.931 1.00 11.52 ATOM 1263 CG LYS 80 -15.488 -26.161 17.864 1.00 71.45 ATOM 1264 HG1 LYS 80 -16.155 -26.977 18.110 1.00 37.64 ATOM 1265 HG2 LYS 80 -15.964 -25.514 17.139 1.00 54.11 ATOM 1266 CD LYS 80 -15.200 -25.356 19.129 1.00 64.04 ATOM 1267 HD1 LYS 80 -16.137 -25.018 19.548 1.00 37.64 ATOM 1268 HD2 LYS 80 -14.594 -24.498 18.869 1.00 74.41 ATOM 1269 CE LYS 80 -14.461 -26.181 20.177 1.00 63.21 ATOM 1270 HE1 LYS 80 -14.291 -25.564 21.049 1.00 37.64 ATOM 1271 HE2 LYS 80 -13.509 -26.493 19.771 1.00 21.42 ATOM 1272 NZ LYS 80 -15.228 -27.386 20.582 1.00 70.02 ATOM 1273 HZ1 LYS 80 -15.419 -27.987 19.755 1.00 42.32 ATOM 1274 HZ2 LYS 80 -16.133 -27.109 21.011 1.00 22.44 ATOM 1275 HZ3 LYS 80 -14.686 -27.939 21.274 1.00 63.22 ATOM 1276 C LYS 80 -14.998 -26.333 14.903 1.00 44.52 ATOM 1277 O LYS 80 -16.161 -26.414 14.510 1.00 0.00 ATOM 1278 N VAL 81 -14.178 -25.352 14.522 1.00 4.30 ATOM 1279 HN VAL 81 -13.248 -25.361 14.840 1.00 37.64 ATOM 1280 CA VAL 81 -14.620 -24.261 13.642 1.00 72.01 ATOM 1281 HA VAL 81 -15.522 -23.841 14.068 1.00 63.25 ATOM 1282 CB VAL 81 -13.555 -23.134 13.568 1.00 54.55 ATOM 1283 HB VAL 81 -12.647 -23.556 13.159 1.00 25.15 ATOM 1284 CG1 VAL 81 -14.011 -22.004 12.644 1.00 51.33 ATOM 1285 HG11 VAL 81 -14.921 -21.565 13.029 1.00 4.10 ATOM 1286 HG12 VAL 81 -14.194 -22.396 11.655 1.00 23.32 ATOM 1287 HG13 VAL 81 -13.241 -21.247 12.592 1.00 32.24 ATOM 1288 CG2 VAL 81 -13.241 -22.595 14.962 1.00 13.21 ATOM 1289 HG21 VAL 81 -14.137 -22.177 15.399 1.00 4.34 ATOM 1290 HG22 VAL 81 -12.486 -21.828 14.890 1.00 44.13 ATOM 1291 HG23 VAL 81 -12.877 -23.399 15.586 1.00 55.15 ATOM 1292 C VAL 81 -14.933 -24.756 12.219 1.00 65.24 ATOM 1293 O VAL 81 -15.913 -24.330 11.605 1.00 4.33 ATOM 1294 N MET 82 -14.094 -25.650 11.699 1.00 63.43 ATOM 1295 HN MET 82 -13.325 -25.947 12.231 1.00 37.64 ATOM 1296 CA MET 82 -14.285 -26.200 10.350 1.00 22.22 ATOM 1297 HA MET 82 -14.667 -25.405 9.723 1.00 11.20 ATOM 1298 CB MET 82 -12.949 -26.683 9.771 1.00 22.21 ATOM 1299 HB1 MET 82 -13.129 -27.142 8.809 1.00 37.64 ATOM 1300 HB2 MET 82 -12.526 -27.421 10.438 1.00 14.14 ATOM 1301 CG MET 82 -11.927 -25.568 9.585 1.00 51.14 ATOM 1302 HG1 MET 82 -11.038 -25.982 9.130 1.00 37.64 ATOM 1303 HG2 MET 82 -11.677 -25.163 10.554 1.00 12.00 ATOM 1304 SD MET 82 -12.539 -24.224 8.544 1.00 70.14 ATOM 1305 CE MET 82 -12.902 -25.101 7.024 1.00 62.51 ATOM 1306 HE1 MET 82 -12.001 -25.563 6.652 1.00 13.04 ATOM 1307 HE2 MET 82 -13.279 -24.405 6.289 1.00 54.02 ATOM 1308 HE3 MET 82 -13.645 -25.860 7.216 1.00 4.51 ATOM 1309 C MET 82 -15.303 -27.352 10.344 1.00 11.34 ATOM 1310 O MET 82 -15.906 -27.642 9.313 1.00 34.44 ATOM 1311 N GLN 83 -15.472 -28.014 11.495 1.00 20.30 ATOM 1312 HN GLN 83 -14.930 -27.759 12.273 1.00 37.64 ATOM 1313 CA GLN 83 -16.445 -29.114 11.640 1.00 61.12 ATOM 1314 HA GLN 83 -16.351 -29.502 12.644 1.00 3.03 ATOM 1315 CB GLN 83 -17.872 -28.577 11.446 1.00 33.02 ATOM 1316 HB1 GLN 83 -18.576 -29.377 11.633 1.00 37.64 ATOM 1317 HB2 GLN 83 -17.985 -28.241 10.424 1.00 63.20 ATOM 1318 CG GLN 83 -18.212 -27.414 12.373 1.00 3.23 ATOM 1319 HG1 GLN 83 -17.494 -26.620 12.214 1.00 37.64 ATOM 1320 HG2 GLN 83 -18.144 -27.756 13.395 1.00 63.25 ATOM 1321 CD GLN 83 -19.605 -26.860 12.145 1.00 62.53 ATOM 1322 OE1 GLN 83 -20.568 -27.296 12.764 1.00 21.43 ATOM 1323 NE2 GLN 83 -19.731 -25.902 11.250 1.00 72.41 ATOM 1324 HE21 GLN 83 -18.929 -25.600 10.774 1.00 60.43 ATOM 1325 HE22 GLN 83 -20.622 -25.525 11.105 1.00 72.50 ATOM 1326 C GLN 83 -16.160 -30.257 10.648 1.00 53.22 ATOM 1327 O GLN 83 -17.046 -31.049 10.316 1.00 33.14 ATOM 1328 N LYS 84 -14.907 -30.359 10.215 1.00 43.44 ATOM 1329 HN LYS 84 -14.219 -29.794 10.623 1.00 37.64 ATOM 1330 CA LYS 84 -14.522 -31.299 9.160 1.00 24.10 ATOM 1331 HA LYS 84 -15.412 -31.548 8.597 1.00 72.11 ATOM 1332 CB LYS 84 -13.512 -30.625 8.215 1.00 73.31 ATOM 1333 HB1 LYS 84 -12.538 -30.629 8.684 1.00 37.64 ATOM 1334 HB2 LYS 84 -13.815 -29.599 8.055 1.00 13.21 ATOM 1335 CG LYS 84 -13.386 -31.298 6.852 1.00 3.33 ATOM 1336 HG1 LYS 84 -13.113 -32.335 6.997 1.00 37.64 ATOM 1337 HG2 LYS 84 -12.616 -30.798 6.282 1.00 11.33 ATOM 1338 CD LYS 84 -14.702 -31.233 6.078 1.00 65.04 ATOM 1339 HD1 LYS 84 -15.020 -30.200 6.016 1.00 37.64 ATOM 1340 HD2 LYS 84 -15.449 -31.806 6.609 1.00 3.31 ATOM 1341 CE LYS 84 -14.567 -31.793 4.668 1.00 14.22 ATOM 1342 HE1 LYS 84 -14.247 -32.823 4.729 1.00 37.64 ATOM 1343 HE2 LYS 84 -13.827 -31.216 4.133 1.00 64.54 ATOM 1344 NZ LYS 84 -15.854 -31.730 3.926 1.00 23.41 ATOM 1345 HZ1 LYS 84 -16.569 -32.324 4.396 1.00 71.41 ATOM 1346 HZ2 LYS 84 -15.721 -32.073 2.955 1.00 22.43 ATOM 1347 HZ3 LYS 84 -16.199 -30.748 3.892 1.00 4.23 ATOM 1348 C LYS 84 -13.926 -32.593 9.743 1.00 73.35 ATOM 1349 O LYS 84 -12.785 -32.605 10.203 1.00 23.34 ATOM 1350 N ASP 85 -14.723 -33.665 9.731 1.00 61.22 ATOM 1351 HN ASP 85 -15.643 -33.559 9.411 1.00 37.64 ATOM 1352 CA ASP 85 -14.286 -34.996 10.184 1.00 11.21 ATOM 1353 HA ASP 85 -15.131 -35.662 10.066 1.00 52.10 ATOM 1354 CB ASP 85 -13.139 -35.511 9.298 1.00 54.53 ATOM 1355 HB1 ASP 85 -12.268 -34.890 9.451 1.00 37.64 ATOM 1356 HB2 ASP 85 -13.436 -35.450 8.259 1.00 72.04 ATOM 1357 CG ASP 85 -12.766 -36.952 9.604 1.00 60.22 ATOM 1358 OD1 ASP 85 -13.574 -37.853 9.302 1.00 33.44 ATOM 1359 OD2 ASP 85 -11.660 -37.196 10.130 1.00 32.43 ATOM 1360 C ASP 85 -13.875 -35.002 11.673 1.00 14.41 ATOM 1361 O ASP 85 -12.698 -34.848 12.016 1.00 74.24 ATOM 1362 N SER 86 -14.858 -35.166 12.558 1.00 54.24 ATOM 1363 HN SER 86 -15.779 -35.252 12.233 1.00 37.64 ATOM 1364 HA SER 86 -13.615 -35.631 14.157 1.00 41.35 ATOM 1365 CB SER 86 -14.617 -33.789 14.608 1.00 23.43 ATOM 1366 HB1 SER 86 -14.516 -33.849 15.684 1.00 37.64 ATOM 1367 HB2 SER 86 -15.551 -33.306 14.362 1.00 42.22 ATOM 1368 OG SER 86 -13.550 -33.004 14.095 1.00 71.50 ATOM 1369 HG SER 86 -13.491 -33.121 13.139 1.00 73.10 ATOM 1370 CA SER 86 -14.603 -35.208 14.011 1.00 14.32 ATOM 1371 C SER 86 -15.623 -36.098 14.745 1.00 20.35 ATOM 1372 OT1 SER 86 -16.706 -35.594 15.127 1.00 37.64 ATOM 1373 OT2 SER 86 -15.333 -37.299 14.950 1.00 37.64 ATOM 1374 OH2 TIP3 1 -17.506 -30.629 0.714 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -17.572 -31.609 0.784 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.591 -30.429 0.999 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -13.325 -34.821 0.364 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -12.775 -34.994 -0.405 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -13.189 -35.605 0.940 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.362 -35.400 4.678 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.927 -36.141 5.161 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.550 -35.770 3.786 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.226 -35.603 8.456 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.743 -35.773 9.290 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.780 -36.170 7.801 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.053 -33.949 5.145 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.917 -34.361 4.949 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.477 -34.708 5.385 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -17.744 -35.840 10.846 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -17.659 -34.875 11.021 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -18.098 -36.204 11.695 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -13.732 -42.331 12.850 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -12.755 -42.410 12.786 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -13.870 -41.566 13.429 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -14.954 -41.789 10.435 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -14.662 -42.332 11.200 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -14.855 -40.868 10.751 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -14.036 -38.424 17.016 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -14.410 -37.984 16.214 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -14.470 -39.302 17.024 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -20.220 -32.664 4.597 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -19.994 -33.591 4.407 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -20.523 -32.680 5.515 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -20.091 -36.052 2.118 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -20.061 -35.137 1.772 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -21.010 -36.321 1.986 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -18.234 -39.888 6.395 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -18.261 -40.690 5.834 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.858 -40.202 7.241 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.445 -38.947 15.427 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -16.970 -39.606 15.966 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -16.799 -38.213 15.322 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -24.523 -33.297 16.077 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -25.479 -33.359 16.178 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -24.400 -32.923 15.173 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.245 -35.780 1.969 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.051 -36.322 1.958 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -16.564 -36.367 2.358 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -24.087 -32.074 13.688 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -23.959 -31.095 13.794 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -24.258 -32.187 12.746 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -13.331 -30.973 0.549 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -13.802 -31.804 0.762 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -12.398 -31.156 0.789 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -17.340 -33.300 11.721 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -17.263 -32.539 11.111 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -17.790 -32.925 12.510 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -20.543 -30.744 2.697 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.398 -31.405 3.416 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -20.756 -29.927 3.168 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -17.267 -26.841 -0.001 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -17.962 -27.228 -0.547 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -17.297 -27.362 0.830 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.435 -40.715 16.353 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -15.113 -40.541 15.438 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.282 -41.658 16.481 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -18.222 -39.772 12.945 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -18.622 -40.650 13.118 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -17.891 -39.487 13.823 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -13.002 -36.919 2.099 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -13.915 -37.017 2.467 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -12.563 -37.743 2.342 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -22.913 -37.072 18.158 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -22.043 -37.506 18.001 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -23.529 -37.804 18.234 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -17.279 -38.686 10.656 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -17.763 -39.028 11.451 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -17.487 -37.731 10.642 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.803 -35.835 4.648 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -22.888 -36.725 4.999 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.403 -35.324 5.386 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -17.997 -33.226 16.007 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -17.552 -34.040 15.682 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -18.910 -33.519 16.215 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -22.792 -34.590 2.237 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -22.792 -35.054 3.108 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -23.711 -34.338 2.106 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -22.835 -34.344 17.998 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -23.457 -34.133 17.266 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -22.891 -35.326 18.086 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -18.104 -37.178 6.379 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -18.365 -38.126 6.404 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.160 -37.187 6.629 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -21.172 -34.811 6.624 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -20.726 -34.975 7.483 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -20.497 -35.049 5.959 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.105 -30.727 11.909 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -21.310 -31.307 12.665 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.211 -30.983 11.651 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.395 -36.808 13.240 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -17.886 -36.446 13.994 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -18.725 -37.659 13.562 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -15.020 -33.002 1.477 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -14.446 -33.719 1.112 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -15.921 -33.243 1.180 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -11.517 -29.500 -1.103 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -12.449 -29.644 -0.873 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -11.039 -30.157 -0.564 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -15.391 -37.309 3.298 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.822 -38.177 3.490 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -15.420 -36.833 4.157 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -20.476 -33.325 1.521 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -20.539 -32.388 1.793 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -21.370 -33.689 1.714 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -19.225 -42.071 14.050 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -19.029 -42.996 14.221 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.791 -41.808 14.783 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.404 -27.383 1.918 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -19.507 -27.673 2.193 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -20.614 -27.962 1.161 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -11.032 -41.890 12.610 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -10.144 -41.701 12.965 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -11.268 -41.075 12.121 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -16.701 -40.503 8.648 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -16.232 -41.155 9.212 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -17.091 -39.870 9.296 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.355 -32.485 14.217 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -21.152 -33.088 14.971 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -22.329 -32.494 14.161 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -19.999 -29.545 0.262 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -20.318 -30.049 1.037 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.124 -29.931 0.075 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.738 -31.970 13.682 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.673 -32.229 13.823 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.299 -32.198 14.527 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -15.264 -29.807 2.040 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -14.530 -30.108 1.459 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -15.074 -28.847 2.187 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -23.030 -32.224 19.727 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -22.908 -33.061 19.218 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -23.133 -32.515 20.638 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.769 -33.278 1.211 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -18.752 -33.256 1.219 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.552 -34.213 1.445 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -15.153 -32.487 19.318 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -14.569 -33.205 19.046 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -15.498 -32.776 20.191 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -20.606 -34.079 16.406 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -21.301 -34.082 17.098 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -20.127 -34.927 16.544 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -17.979 -37.694 18.891 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -17.143 -38.161 19.125 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -18.254 -37.282 19.717 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -15.350 -36.032 5.709 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -14.506 -35.523 5.783 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -15.283 -36.711 6.414 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -15.644 -37.995 7.602 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -15.976 -38.887 7.804 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -14.889 -37.873 8.229 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -17.631 -42.078 4.743 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -16.880 -42.266 5.359 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -17.824 -42.930 4.340 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -15.706 -42.239 6.614 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -16.064 -41.645 7.295 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -14.811 -42.464 6.945 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -14.578 -39.741 13.953 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.786 -38.845 14.308 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -14.640 -39.631 12.983 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -9.780 -35.950 11.580 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -10.263 -35.136 11.791 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -10.395 -36.440 10.977 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -23.433 -29.499 13.684 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -23.283 -28.942 12.901 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -22.624 -29.371 14.227 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -23.480 -26.073 10.342 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -23.289 -26.993 10.627 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -24.219 -26.163 9.731 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -22.438 -28.408 11.267 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -21.778 -27.868 11.751 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -22.040 -29.308 11.249 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -17.899 -28.338 2.229 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -17.576 -28.594 3.118 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -17.856 -29.169 1.711 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -20.688 -32.879 27.597 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -20.087 -33.402 28.180 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -20.896 -33.478 26.875 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.662 -30.393 27.869 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.420 -29.814 28.013 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.057 -31.297 27.808 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -18.041 -32.273 23.503 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -18.237 -31.573 22.840 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -17.826 -33.052 22.965 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -15.537 -30.504 26.427 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -15.861 -29.727 25.917 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -16.062 -30.474 27.266 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.765 -30.145 25.245 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -18.561 -31.046 24.930 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.987 -30.264 26.190 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.418 -31.728 23.991 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -16.353 -32.026 23.938 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.310 -31.458 24.926 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -13.538 -32.138 33.210 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -14.316 -32.195 33.805 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -12.792 -31.919 33.815 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -20.489 -38.235 17.649 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -20.173 -37.704 16.900 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -19.695 -38.368 18.194 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.594 -36.845 33.242 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -15.588 -36.407 32.357 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -16.156 -37.616 33.120 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -17.029 -30.195 28.653 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -17.024 -30.194 29.618 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -17.982 -30.249 28.418 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -18.824 -36.151 16.734 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -18.053 -35.998 16.140 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -18.457 -36.690 17.466 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -20.104 -28.897 23.218 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -19.853 -29.430 24.000 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -19.598 -28.059 23.331 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -11.549 -34.945 17.479 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -11.467 -35.054 16.509 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -12.490 -35.113 17.656 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -18.457 -26.811 23.469 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -18.193 -26.873 22.528 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -18.580 -25.856 23.619 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -14.569 -29.020 36.063 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -15.443 -28.757 35.709 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -13.940 -28.425 35.605 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.375 -35.552 30.904 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -14.560 -35.021 30.843 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -16.070 -34.952 30.573 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -18.329 -30.284 21.607 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -19.005 -29.745 22.072 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -18.528 -30.147 20.658 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -17.845 -31.682 32.045 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.706 -32.065 32.288 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -17.544 -31.234 32.866 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.341 -37.867 21.207 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -12.838 -38.226 20.437 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -12.760 -38.023 21.961 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -11.626 -31.335 34.986 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -10.671 -31.134 35.057 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -11.885 -31.568 35.896 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -15.314 -29.665 18.997 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -14.772 -30.456 19.158 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -16.075 -30.001 18.489 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -19.067 -34.189 29.294 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -18.152 -33.924 29.539 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -19.328 -34.817 29.989 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -17.274 -31.358 17.911 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -16.568 -31.861 18.370 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -17.559 -31.959 17.185 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -19.765 -30.791 35.799 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -20.408 -31.405 35.377 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -20.310 -30.214 36.340 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.917 -33.483 21.790 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.385 -33.110 22.514 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.389 -34.255 21.474 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -22.886 -31.244 17.182 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -22.975 -31.556 18.102 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -23.419 -31.872 16.667 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -21.085 -29.261 17.396 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -20.990 -28.884 16.497 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -21.675 -30.040 17.262 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -20.999 -29.012 14.690 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -20.408 -29.754 14.495 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -20.809 -28.360 13.981 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -21.470 -32.440 34.494 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -21.035 -32.647 33.639 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -22.321 -32.880 34.439 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.842 -29.358 19.005 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -18.332 -30.048 18.525 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -19.656 -29.243 18.464 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -16.641 -33.255 30.192 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.728 -32.936 30.138 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -17.066 -32.655 30.850 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -22.663 -29.317 19.684 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -22.082 -29.235 18.897 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -22.876 -30.268 19.723 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.348 -34.746 37.930 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.339 -35.027 36.989 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -15.142 -34.208 38.004 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -8.258 -32.686 22.972 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -8.398 -33.516 22.469 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -7.403 -32.365 22.670 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.496 -33.462 30.796 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -12.618 -33.893 30.871 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -13.576 -32.941 31.628 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -14.413 -35.397 20.602 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -14.024 -36.217 20.968 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -14.374 -35.527 19.634 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.697 -38.800 19.982 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -15.402 -39.704 19.835 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -14.981 -38.399 20.514 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -14.771 -34.987 35.239 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -15.320 -35.553 34.658 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -15.133 -34.082 35.109 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -11.293 -41.461 19.463 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -10.414 -41.378 19.093 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -11.688 -40.578 19.344 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -14.477 -26.526 24.117 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -14.980 -25.876 23.575 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.141 -27.208 24.342 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -20.600 -35.675 31.114 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -20.430 -36.471 31.632 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -21.340 -35.916 30.541 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -20.324 -33.065 32.052 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.338 -32.623 31.193 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -20.394 -34.017 31.832 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.237 -27.780 31.230 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.798 -27.219 30.563 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -13.569 -28.462 31.451 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.961 -27.345 20.769 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.264 -26.459 20.445 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -18.363 -27.982 20.138 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.382 -30.562 34.543 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -18.232 -30.698 35.028 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -17.221 -29.594 34.610 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -12.110 -32.226 37.652 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.004 -31.810 37.608 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -12.197 -32.893 38.370 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -9.002 -31.968 46.424 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -9.818 -32.462 46.299 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -8.619 -32.340 47.224 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -14.580 -31.128 37.682 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -14.526 -30.312 37.121 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -14.993 -30.817 38.512 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.428 -32.318 35.233 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.140 -31.964 36.098 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -16.164 -31.719 34.964 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -12.366 -34.030 39.668 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -11.770 -34.783 39.745 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -13.159 -34.396 39.207 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -12.696 -26.137 -5.258 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -13.074 -26.698 -5.941 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -11.771 -26.455 -5.169 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -14.772 -14.609 -4.016 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -15.378 -14.009 -3.535 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -15.332 -15.343 -4.285 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -11.105 -16.101 -7.112 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -11.548 -15.614 -6.394 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -10.364 -16.541 -6.676 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -14.427 -15.882 -0.489 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -14.800 -15.003 -0.648 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.785 -16.005 -1.216 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -15.007 -11.155 -3.544 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -14.411 -11.294 -2.788 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.757 -11.752 -3.367 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -18.833 -12.245 3.086 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -18.800 -13.195 2.853 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -18.583 -12.226 4.031 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -16.123 -18.074 -0.350 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -16.632 -17.987 0.482 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -15.641 -17.226 -0.421 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -16.784 -20.637 -1.205 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -15.862 -20.911 -1.026 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -16.802 -19.693 -0.963 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -11.988 -11.764 -9.509 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -11.020 -11.937 -9.577 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -12.388 -12.641 -9.565 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -10.620 -12.408 -4.653 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -10.927 -13.317 -4.810 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -11.359 -11.846 -4.972 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -10.927 -17.348 -9.608 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -10.788 -18.268 -9.279 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -11.217 -16.851 -8.811 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -12.827 -10.913 -5.182 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.744 -10.848 -4.832 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -12.875 -10.484 -6.059 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -12.301 -16.583 -2.275 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -11.872 -16.886 -1.448 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -12.907 -17.324 -2.512 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.119 -18.608 -2.309 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.862 -18.554 -1.676 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -14.315 -19.393 -2.837 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -10.979 -25.244 -1.302 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -10.556 -26.108 -1.477 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -11.645 -25.153 -2.019 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -13.069 -24.672 -3.016 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -13.879 -25.025 -2.585 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.031 -25.146 -3.881 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -17.319 -12.775 0.031 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -17.450 -11.875 0.390 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -17.494 -13.357 0.786 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.714 -13.169 -2.622 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.608 -13.260 -2.971 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.849 -13.015 -1.654 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -17.590 -24.429 1.255 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.497 -25.277 0.766 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -18.420 -24.535 1.765 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -17.334 -20.751 6.109 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -16.857 -19.894 6.023 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -16.871 -21.338 5.498 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -18.633 -18.292 10.197 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -19.430 -18.746 10.489 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -18.156 -18.965 9.659 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.256 -14.379 7.657 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -17.358 -14.759 7.783 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -18.775 -14.749 8.398 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -16.391 -17.921 11.716 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.264 -17.904 11.274 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -15.756 -17.717 10.988 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -15.947 -22.526 9.605 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -15.065 -22.706 9.262 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -16.100 -23.237 10.258 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -11.814 -22.074 1.235 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -11.495 -22.396 2.105 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -12.477 -22.746 0.958 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -23.305 -22.192 9.247 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -23.962 -21.550 9.592 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -22.684 -22.318 10.001 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -16.694 -16.187 4.983 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -16.352 -17.060 5.283 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -16.853 -15.700 5.813 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -22.344 -24.313 7.661 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -21.899 -23.650 7.117 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -22.872 -23.787 8.292 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.806 -15.493 7.713 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -15.670 -16.255 8.334 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -14.942 -15.036 7.712 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -14.671 -14.922 3.627 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -15.376 -15.282 4.205 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -14.421 -15.680 3.058 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -15.606 -18.587 5.750 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -14.961 -19.029 5.157 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -15.064 -18.329 6.538 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -19.042 -12.960 10.749 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -19.869 -12.824 11.256 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -19.188 -13.803 10.272 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -13.672 -19.960 4.311 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -12.865 -19.499 3.997 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -13.337 -20.762 4.727 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -19.326 -15.583 9.921 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.956 -16.473 9.747 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -19.718 -15.666 10.823 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -14.734 -27.218 2.517 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -15.270 -27.035 3.317 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -14.556 -26.341 2.149 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.176 -16.019 12.439 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -20.134 -16.935 12.789 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -20.286 -15.466 13.236 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -18.103 -10.346 1.352 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -18.317 -11.004 2.061 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -18.964 -10.035 1.054 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -17.704 -12.636 5.609 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -17.995 -13.292 6.285 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -17.457 -11.845 6.137 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -21.635 -21.468 7.226 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -22.026 -20.663 6.869 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -22.197 -21.681 8.008 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -14.228 -21.469 -0.700 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.207 -22.377 -0.335 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -13.628 -21.515 -1.475 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -24.386 -20.283 10.890 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -25.181 -20.118 11.400 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -23.654 -20.069 11.507 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -19.295 -22.715 6.541 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -20.137 -22.264 6.777 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -18.658 -21.983 6.423 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -19.813 -23.369 16.899 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -20.068 -23.770 16.046 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.286 -23.908 17.567 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -18.656 -25.097 5.150 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.877 -24.289 5.655 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.095 -24.963 4.282 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.574 -20.452 8.852 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.867 -21.078 9.136 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -17.522 -20.462 7.873 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -19.935 -24.843 2.680 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -20.167 -25.778 2.455 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -20.711 -24.339 2.417 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -19.174 -24.383 8.798 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -19.083 -23.892 7.958 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -19.575 -25.233 8.533 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.061 -22.161 10.417 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.123 -23.003 9.909 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -18.603 -21.548 9.804 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -15.440 -24.339 2.930 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.221 -24.367 2.336 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.123 -23.414 2.860 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.529 -16.525 16.170 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.346 -17.485 16.239 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.468 -16.203 17.097 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -14.967 -21.655 2.544 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.247 -21.244 1.718 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -14.584 -20.919 3.061 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -19.972 -18.549 13.508 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -20.417 -18.914 14.302 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -19.029 -18.762 13.645 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -20.464 -14.400 14.656 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.297 -15.160 15.255 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -20.066 -13.644 15.117 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -12.143 -13.891 3.559 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -11.823 -14.230 2.707 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -13.057 -14.241 3.628 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -17.364 -15.294 15.000 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -18.128 -15.841 15.274 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -16.618 -15.928 14.958 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -18.086 -14.866 2.650 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -17.816 -15.045 3.568 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -17.851 -15.679 2.173 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -15.624 -12.279 14.683 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -15.451 -11.492 14.135 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -16.380 -12.718 14.235 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.839 -17.364 2.276 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.097 -17.325 3.212 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -15.864 -17.281 2.294 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -16.229 -26.345 4.617 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.854 -25.544 4.188 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.085 -26.036 4.981 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.638 -21.779 12.725 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -17.066 -22.557 12.682 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -18.127 -21.797 11.870 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -19.148 -27.722 6.039 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -19.780 -27.620 6.774 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.972 -26.805 5.753 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.960 -15.685 18.732 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -18.583 -16.562 18.956 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -19.372 -15.382 19.572 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -15.392 -17.197 14.921 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -14.709 -17.036 14.235 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -15.902 -17.952 14.578 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -22.294 -19.876 12.689 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -22.393 -20.092 13.635 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -21.502 -19.306 12.661 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -11.582 -17.618 0.182 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -12.142 -18.275 0.651 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -11.617 -16.823 0.749 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -22.219 -24.655 12.313 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -22.784 -25.111 11.653 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -22.123 -23.745 11.958 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -21.630 -22.214 11.332 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -20.667 -22.179 11.142 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -21.791 -21.427 11.894 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -17.256 -19.282 13.888 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.316 -20.216 13.583 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -16.899 -18.797 13.103 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.410 -21.332 18.090 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.113 -21.704 18.948 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.873 -22.084 17.650 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -20.070 -21.998 13.997 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -19.174 -21.931 13.617 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -20.204 -22.961 14.130 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -21.160 -24.751 18.853 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -21.612 -25.592 18.701 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -21.807 -24.221 19.367 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -20.556 -24.632 14.481 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -21.239 -24.677 13.767 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -20.229 -25.537 14.548 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -14.174 -15.635 16.899 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -14.630 -16.168 16.216 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -14.185 -16.212 17.696 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -14.100 -17.076 1.994 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -13.835 -18.003 1.821 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -14.098 -16.656 1.108 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -13.202 -19.613 1.073 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -12.616 -20.315 1.425 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -13.716 -20.070 0.372 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -15.209 -25.531 -1.431 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -15.751 -26.213 -0.987 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -15.825 -24.766 -1.529 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -16.801 -23.386 -1.165 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -17.156 -23.555 -0.270 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.989 -22.438 -1.323 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -13.281 -24.081 -0.012 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -14.016 -24.606 -0.396 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -12.480 -24.562 -0.289 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.759 -10.407 6.947 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.790 -10.290 7.046 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -17.042 -9.618 6.432 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -17.712 -13.210 13.212 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.996 -13.338 12.283 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -17.708 -14.114 13.592 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -21.207 -12.757 12.522 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -21.013 -13.444 13.197 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -22.155 -12.837 12.370 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -15.121 -9.882 13.371 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -15.316 -9.431 14.224 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -15.962 -9.790 12.856 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -17.365 -9.802 11.946 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -17.287 -10.314 11.109 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -18.306 -9.611 12.017 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -20.879 -26.595 8.086 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -21.485 -25.849 7.867 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -21.309 -27.039 8.824 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -17.052 -29.070 4.760 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.854 -28.908 5.308 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -16.559 -28.225 4.812 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -12.411 -11.858 5.373 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -12.397 -12.650 4.787 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -12.270 -11.105 4.759 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -25.241 -24.410 19.471 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -26.115 -24.636 19.140 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -24.766 -25.274 19.507 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -17.812 -20.132 25.324 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -16.968 -20.519 24.997 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -17.824 -20.362 26.274 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -16.934 -21.043 27.772 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -16.754 -21.203 28.723 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -16.947 -21.934 27.379 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.135 -13.823 25.250 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -16.625 -14.628 25.499 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.296 -13.380 26.090 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.239 -23.787 27.560 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -14.860 -24.645 27.302 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.957 -23.638 26.908 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -17.705 -22.302 20.610 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.123 -21.907 21.402 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -16.770 -22.471 20.891 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -18.709 -21.237 22.967 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -19.599 -20.841 22.793 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -18.459 -20.876 23.847 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.619 -21.413 24.427 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -15.219 -21.417 23.521 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -14.873 -21.187 25.013 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.090 -16.259 26.219 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.052 -16.934 26.927 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -16.478 -16.738 25.456 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.337 -25.745 29.484 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -13.620 -25.859 28.554 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -12.601 -25.119 29.435 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.921 -15.482 23.680 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -18.378 -16.296 23.802 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -18.490 -14.824 24.255 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -15.788 -18.483 27.872 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -16.181 -19.372 27.724 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.842 -18.659 27.986 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -21.003 -17.301 22.567 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -20.457 -16.868 23.241 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.968 -16.695 21.810 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -21.362 -20.121 15.364 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -20.913 -20.884 14.919 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -21.350 -20.354 16.299 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -16.454 -19.315 22.309 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -17.084 -20.050 22.401 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -15.572 -19.766 22.212 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -14.570 -24.279 31.661 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.230 -24.975 31.065 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.580 -23.477 31.101 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -18.054 -18.255 19.109 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -18.201 -19.105 19.548 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.070 -18.476 18.153 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -20.002 -15.029 21.190 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -19.502 -15.156 22.029 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -20.593 -14.293 21.376 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -18.041 -13.620 17.106 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -18.328 -14.298 17.754 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -17.667 -14.139 16.365 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -11.762 -23.338 31.090 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -11.695 -22.654 31.784 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -12.509 -23.039 30.534 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -15.506 -26.341 33.135 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -15.176 -26.969 32.446 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -15.414 -25.462 32.713 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -18.430 -19.096 16.518 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.947 -19.274 15.688 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.449 -19.970 16.979 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -20.978 -24.884 22.003 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -21.633 -24.363 21.504 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -21.252 -25.814 21.859 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -21.110 -20.000 22.764 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -21.045 -19.024 22.634 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -21.973 -20.126 23.161 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.181 -23.223 25.734 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -16.632 -22.640 25.164 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -17.847 -23.591 25.125 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -23.803 -26.692 19.756 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -23.753 -27.611 19.439 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -23.275 -26.698 20.577 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -16.164 -20.790 30.410 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.791 -20.741 31.318 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -16.769 -20.015 30.361 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.222 -26.266 26.841 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.976 -26.860 26.964 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.128 -26.199 25.863 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -13.022 -16.732 27.106 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -12.641 -15.855 26.860 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.932 -16.688 26.786 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.586 -24.863 19.965 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -19.494 -24.736 19.622 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -18.273 -23.956 20.158 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.008 -20.221 32.826 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.200 -19.701 32.682 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -15.472 -19.737 33.536 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -9.810 -14.548 20.909 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -9.126 -14.962 21.443 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -10.455 -15.277 20.733 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -17.415 -17.668 24.258 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -16.963 -18.062 23.480 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -17.722 -18.449 24.771 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -14.274 -17.262 19.089 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.924 -16.984 19.775 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -14.288 -18.226 19.131 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.298 -17.031 20.832 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -16.995 -17.292 20.202 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.265 -17.775 21.469 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.190 -24.975 22.636 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -17.088 -24.688 22.889 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.774 -24.153 22.258 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.917 -23.425 20.472 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -23.041 -22.513 20.753 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -23.808 -23.700 20.147 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -18.753 -24.008 23.378 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -18.754 -23.040 23.232 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -19.560 -24.322 22.897 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -12.526 -29.732 32.262 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.017 -30.567 32.400 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -12.258 -29.468 33.153 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.468 -18.406 30.073 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.844 -17.539 30.235 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.921 -18.287 29.271 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -13.653 -23.600 34.165 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -14.075 -23.730 33.285 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.395 -23.697 34.801 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -16.819 -27.900 34.904 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -16.454 -27.352 34.174 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.177 -27.243 35.537 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -11.815 -14.406 26.451 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -11.665 -13.642 27.048 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -11.040 -14.398 25.860 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.098 -22.481 29.682 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.438 -22.912 28.860 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.746 -21.767 29.860 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -11.882 -21.697 33.389 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -11.912 -20.782 33.731 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.704 -22.112 33.732 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.614 -26.050 37.247 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.850 -26.521 36.418 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.056 -26.568 37.952 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -13.851 -11.159 22.591 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -13.257 -11.887 22.320 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.713 -11.592 22.735 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -16.304 -28.448 24.815 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -17.269 -28.326 24.906 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -16.196 -28.800 23.905 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.738 -29.534 22.368 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.602 -29.677 21.920 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -15.552 -30.395 22.803 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -21.868 -27.532 21.596 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -22.142 -28.226 20.956 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -21.361 -28.025 22.276 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -13.562 -13.335 19.474 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -14.110 -14.038 19.842 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.929 -13.127 20.188 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.606 -30.034 40.050 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.965 -29.524 40.589 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.928 -30.715 40.651 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -19.050 -26.884 40.065 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -18.178 -27.154 39.706 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -18.864 -26.626 40.971 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -20.087 -26.224 37.629 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -19.828 -26.488 38.541 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -21.039 -26.108 37.680 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -13.528 -23.433 37.196 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -14.446 -23.544 36.877 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -13.245 -24.341 37.425 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.542 -18.344 34.832 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -16.261 -17.794 35.157 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.107 -18.684 35.655 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.546 -19.134 39.656 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -13.934 -19.247 40.527 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -12.837 -19.805 39.620 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -14.221 -19.201 37.002 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.124 -18.987 37.955 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.568 -19.908 36.852 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.804 -25.363 33.132 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -11.574 -24.937 32.283 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -12.406 -24.722 33.561 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -11.532 -21.123 39.591 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -11.213 -22.009 39.313 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.284 -21.070 40.527 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.351 -26.987 34.730 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -12.675 -26.622 34.124 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.203 -26.754 34.301 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.891 -23.923 35.790 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -16.378 -24.700 36.150 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -16.578 -23.385 35.378 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -17.460 -26.015 36.819 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -18.437 -26.014 36.951 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -17.119 -26.524 37.583 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -13.904 -26.891 39.587 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.864 -27.584 40.275 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -13.259 -26.214 39.896 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -16.565 -27.541 39.023 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -16.421 -28.495 39.174 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.676 -27.144 39.148 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -11.198 -7.919 -5.998 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -10.670 -7.399 -6.648 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -11.808 -8.438 -6.549 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -10.228 -5.668 -4.745 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -10.769 -6.448 -4.978 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -9.706 -5.499 -5.545 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -16.569 -8.351 2.591 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -17.093 -9.013 2.091 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -15.842 -8.877 2.995 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -6.927 -4.867 -2.836 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -6.976 -3.895 -2.905 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -5.996 -5.075 -3.038 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -10.964 -9.844 -2.586 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -10.502 -9.686 -3.438 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -11.733 -10.382 -2.830 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -9.236 -9.200 -4.566 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -9.864 -8.781 -5.197 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -8.819 -8.440 -4.105 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -14.704 -9.746 3.974 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.779 -9.561 4.925 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -15.004 -10.687 3.886 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -10.216 -7.068 9.423 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -11.077 -6.655 9.299 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -9.851 -7.134 8.514 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -12.493 -10.697 9.192 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -13.027 -10.383 8.436 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -13.168 -10.977 9.858 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -11.994 -9.848 3.555 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -12.963 -9.744 3.427 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -11.713 -10.435 2.822 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -7.399 -3.366 2.811 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -8.263 -2.891 2.714 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -6.754 -2.655 2.929 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -13.081 -8.146 15.875 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -14.058 -8.186 15.805 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.765 -8.599 15.062 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -18.128 -10.969 16.706 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -18.154 -11.932 16.916 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -18.686 -10.889 15.904 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.043 -2.857 1.095 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.973 -3.692 0.591 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.749 -3.037 1.748 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -10.406 -4.812 -2.200 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -10.145 -3.890 -2.310 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -10.360 -5.184 -3.117 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -13.648 -7.395 -0.758 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -13.363 -8.285 -1.007 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -14.268 -7.141 -1.456 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -14.908 -6.345 1.574 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -15.558 -6.984 1.938 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -14.533 -6.799 0.801 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -17.271 -8.198 5.339 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -17.075 -8.190 4.382 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.873 -7.459 5.463 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -8.994 -8.873 15.856 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -9.554 -8.069 15.908 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -9.078 -9.162 14.924 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -11.865 -5.393 0.009 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -12.565 -6.041 -0.221 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -11.430 -5.194 -0.852 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.390 -9.536 13.568 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.016 -9.326 12.683 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.330 -9.746 13.383 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -14.552 -11.121 10.865 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -14.754 -10.723 11.728 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -15.433 -11.261 10.453 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -13.981 -10.136 6.842 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -13.620 -10.935 6.403 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -13.315 -9.435 6.646 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -17.054 -11.296 9.692 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -17.728 -11.990 9.860 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -17.123 -11.119 8.732 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -15.507 -12.290 3.935 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.174 -13.193 3.764 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -16.311 -12.431 4.476 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -19.471 -11.483 14.370 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -18.730 -11.999 13.985 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -20.193 -11.594 13.729 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -15.729 -8.901 15.850 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -15.629 -9.633 16.496 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -16.642 -8.605 15.971 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.570 -11.928 23.056 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -16.683 -12.728 23.611 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.949 -11.218 23.588 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -15.638 -10.952 17.752 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.796 -11.025 18.714 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -16.540 -11.022 17.357 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -14.387 -9.572 20.333 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -14.043 -9.975 21.154 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -15.305 -9.899 20.277 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -16.697 -11.064 20.387 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -16.645 -11.496 21.266 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -17.636 -11.092 20.166 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -9.809 -27.676 -2.184 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -9.038 -28.019 -1.672 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -10.550 -28.280 -1.927 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -8.545 -29.715 2.022 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -8.230 -30.490 2.541 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -8.075 -28.964 2.412 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 0.038 -37.048 11.270 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -0.789 -37.534 11.478 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 0.325 -36.700 12.122 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -0.547 -32.031 8.612 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 0.159 -32.706 8.492 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -0.122 -31.194 8.340 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -16.745 -39.535 4.020 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -17.271 -39.268 4.790 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -16.873 -40.499 3.972 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -5.319 -34.609 9.900 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -5.138 -33.701 9.613 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -4.466 -34.913 10.285 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -12.087 -40.010 8.657 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -12.643 -39.203 8.791 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -11.677 -40.160 9.527 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -7.776 -36.586 6.441 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -6.932 -36.689 6.935 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -8.463 -36.849 7.093 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 0.775 -29.832 7.455 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 1.217 -30.315 6.715 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 1.059 -28.899 7.335 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -5.652 -36.741 8.166 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -4.882 -37.246 8.445 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -5.623 -35.934 8.717 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -10.232 -43.816 5.860 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -9.791 -44.661 5.741 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -10.581 -43.855 6.781 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -10.588 -31.214 0.986 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -10.273 -32.086 1.258 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -9.933 -30.591 1.374 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 3.052 -30.659 8.936 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 2.207 -30.414 8.513 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 3.452 -29.798 9.183 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -2.131 -30.245 6.821 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -2.032 -31.049 7.352 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -1.254 -29.833 6.853 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -2.818 -32.879 9.966 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -2.027 -32.575 9.468 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -2.630 -33.822 10.162 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -10.585 -34.846 6.809 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -10.465 -35.477 6.067 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -10.356 -35.370 7.599 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -9.886 -37.280 8.047 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -10.207 -38.005 7.469 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -10.458 -37.339 8.845 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -6.953 -35.985 11.684 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -6.525 -35.419 11.002 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -7.917 -35.851 11.535 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 3.705 -27.963 9.076 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 4.444 -28.179 8.466 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 2.982 -27.657 8.482 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -13.088 -34.557 5.729 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -12.359 -34.562 6.380 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -12.628 -34.607 4.860 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 2.368 -31.280 14.615 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 3.260 -31.583 14.345 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 2.394 -31.311 15.592 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -0.848 -26.865 1.131 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -0.485 -27.722 1.433 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -0.552 -26.229 1.827 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.292 -44.002 8.359 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -11.178 -44.025 9.314 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -12.129 -43.509 8.229 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -10.105 -36.849 4.939 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -9.152 -36.872 5.162 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -10.453 -37.694 5.294 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -8.439 -37.764 13.320 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -9.192 -37.382 12.829 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -7.664 -37.306 12.950 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -11.255 -41.482 4.855 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -11.961 -41.867 4.333 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -10.786 -42.261 5.236 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -2.465 -37.879 12.086 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -2.463 -37.633 13.041 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -3.407 -38.080 11.893 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -10.892 -39.196 6.312 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -10.909 -39.947 5.674 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -11.351 -39.551 7.104 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -7.742 -30.048 13.099 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -7.991 -29.664 13.950 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -7.166 -30.799 13.335 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 1.638 -33.717 8.308 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 2.562 -33.683 7.985 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 1.466 -34.681 8.448 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -1.435 -33.186 15.351 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -1.935 -32.547 15.914 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -1.851 -34.042 15.541 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -3.916 -34.821 15.822 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -4.068 -35.119 16.732 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -3.988 -33.831 15.880 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 3.301 -34.301 12.972 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 2.405 -34.199 13.370 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 3.213 -33.892 12.087 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 0.532 -28.675 2.794 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 0.688 -29.606 2.976 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 0.682 -28.232 3.662 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 1.175 -36.322 8.888 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 1.060 -37.137 8.395 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 0.775 -36.515 9.770 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -4.524 -29.440 5.559 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -4.367 -28.478 5.653 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -3.743 -29.852 5.993 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.589 -34.494 4.536 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -8.188 -33.930 5.057 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -7.487 -35.298 5.081 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -3.465 -32.322 12.532 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -3.338 -32.409 11.558 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -3.793 -33.206 12.807 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 5.434 -28.054 3.360 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 6.020 -27.372 2.967 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 4.541 -27.829 3.011 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -11.860 -39.551 11.466 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -11.652 -38.675 11.062 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -12.812 -39.504 11.651 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -5.492 -30.139 3.040 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -5.041 -30.052 3.908 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -6.122 -30.876 3.172 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.503 -27.591 2.998 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -5.989 -28.405 2.802 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -6.870 -27.755 3.899 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -7.711 -31.876 3.544 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -7.431 -32.815 3.502 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -8.322 -31.850 4.307 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -9.215 -32.648 5.867 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -8.999 -32.198 6.690 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -9.850 -33.350 6.137 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 2.950 -27.038 2.940 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 2.481 -27.101 3.810 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 2.279 -27.308 2.295 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -14.321 -35.816 17.856 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -15.144 -35.636 17.378 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -14.145 -36.768 17.680 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -2.991 -35.384 11.067 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -3.434 -35.232 11.930 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -2.575 -36.265 11.168 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 0.912 -33.515 14.022 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 0.078 -33.546 14.537 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 1.346 -32.690 14.318 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -8.866 -36.540 15.831 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -8.662 -37.071 15.037 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -9.666 -36.037 15.581 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -8.678 -40.590 13.437 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -8.674 -39.618 13.335 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -8.208 -40.742 14.259 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -0.903 -36.809 16.930 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -0.162 -36.443 17.462 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -1.256 -37.514 17.478 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -5.170 -38.102 11.524 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -5.735 -38.880 11.492 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -5.796 -37.350 11.537 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 6.207 -35.792 19.630 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 6.980 -36.362 19.544 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 5.765 -35.853 18.747 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -5.022 -25.345 3.743 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -4.758 -25.805 4.567 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.585 -25.997 3.281 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -11.597 -35.001 3.512 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -10.888 -35.573 3.873 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -12.085 -35.585 2.902 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 5.032 -32.972 16.983 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 5.495 -32.847 17.838 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 4.144 -32.577 17.133 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 4.157 -32.848 7.630 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 3.879 -32.010 8.061 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 5.036 -33.016 7.985 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 2.903 -32.777 10.648 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 2.350 -33.352 10.088 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 2.937 -31.928 10.152 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 4.726 -36.172 14.388 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 4.960 -36.825 13.725 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 4.179 -35.520 13.899 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -11.378 -35.603 14.796 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.797 -36.350 14.348 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -11.661 -34.827 14.278 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -13.450 -42.317 8.214 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -12.914 -41.492 8.205 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -13.985 -42.245 9.034 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -14.696 -39.195 11.287 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -14.255 -38.684 10.558 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -15.654 -39.006 11.161 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -7.213 -28.447 5.465 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -7.550 -28.160 6.331 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -6.423 -28.981 5.678 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -7.037 -26.280 0.676 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -7.534 -26.980 0.205 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -6.796 -26.698 1.533 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -3.522 -26.984 0.343 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -2.563 -27.064 0.539 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -3.779 -26.159 0.768 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 2.241 -31.467 5.851 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 3.186 -31.391 5.663 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 2.156 -32.326 6.288 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -7.923 -28.624 -0.485 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -6.969 -28.868 -0.410 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -8.351 -29.130 0.235 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -0.890 -34.808 23.942 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -1.116 -34.337 23.108 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -1.543 -34.474 24.590 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -2.570 -34.147 26.171 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -3.518 -33.970 26.029 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -2.402 -33.821 27.082 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 4.661 -31.077 23.907 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.796 -30.981 24.346 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 4.944 -30.145 23.734 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -8.173 -31.356 27.218 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -7.852 -30.777 26.494 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -7.351 -31.610 27.697 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -0.796 -31.584 24.651 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -1.743 -31.815 24.586 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -0.438 -31.810 23.759 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -3.343 -32.424 23.764 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -4.073 -32.786 24.296 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -3.461 -32.835 22.885 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -4.032 -31.903 32.606 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -4.819 -32.471 32.737 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -4.083 -31.649 31.660 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -6.141 -34.431 29.323 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -5.929 -33.540 28.958 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -6.859 -34.757 28.744 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -9.375 -34.864 19.113 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -10.185 -34.887 18.546 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -9.173 -33.908 19.197 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 3.727 -33.670 29.678 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 4.588 -33.944 29.309 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 3.069 -34.130 29.120 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 6.783 -31.741 34.105 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 7.057 -32.430 34.719 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 7.349 -31.883 33.312 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -3.987 -33.802 21.056 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.155 -33.642 20.097 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -3.004 -33.878 21.118 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -2.430 -36.851 14.632 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -1.730 -36.915 15.317 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -3.049 -36.189 14.991 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -0.188 -35.839 26.434 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -0.117 -35.584 25.494 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -1.065 -35.523 26.693 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -5.123 -32.918 25.873 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.004 -32.939 25.476 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -5.279 -32.537 26.777 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -8.441 -34.808 24.780 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -8.482 -35.296 23.937 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -8.523 -33.874 24.514 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -6.187 -33.588 32.030 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -7.112 -33.379 32.276 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -6.254 -33.898 31.104 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 0.647 -35.564 21.517 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -0.046 -34.876 21.344 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.382 -35.948 22.369 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -9.040 -33.278 32.378 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -9.353 -33.620 33.236 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -9.661 -33.658 31.732 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -8.543 -35.196 21.877 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -9.052 -35.241 21.049 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -7.626 -35.445 21.606 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 2.579 -31.855 17.360 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.486 -30.878 17.415 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 1.895 -32.193 17.952 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -11.245 -34.931 31.438 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -10.776 -35.679 31.055 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -11.853 -35.338 32.097 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 4.231 -30.690 33.888 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 5.102 -31.069 34.113 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 4.023 -31.076 33.013 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -10.341 -31.043 30.969 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -9.737 -31.552 31.537 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -10.879 -30.524 31.592 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 1.015 -36.254 18.855 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.974 -36.323 18.813 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 0.828 -36.046 19.794 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -4.719 -33.648 18.435 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -5.558 -34.095 18.199 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -4.549 -33.039 17.682 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 5.854 -24.958 37.372 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 5.127 -25.383 37.873 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 6.063 -25.605 36.667 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -9.725 -33.416 36.732 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -9.943 -33.889 35.903 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -10.586 -33.118 37.071 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 6.123 -34.654 28.668 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 5.561 -35.148 28.025 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 6.709 -35.324 29.029 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -1.852 -30.475 30.282 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -1.381 -31.234 30.678 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -2.780 -30.801 30.182 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -8.240 -35.143 27.531 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -8.441 -36.082 27.508 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -8.260 -34.872 26.585 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -12.945 -35.791 33.381 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -13.605 -36.448 33.096 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -13.363 -35.368 34.161 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.983 -34.869 27.823 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.751 -33.970 27.491 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.239 -35.431 27.515 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -6.814 -29.568 25.659 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -6.277 -29.081 24.986 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -6.947 -28.911 26.364 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -9.844 -37.593 18.174 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -9.634 -36.831 18.738 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -9.452 -37.360 17.307 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 1.831 -30.654 24.422 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 1.974 -31.624 24.318 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 0.874 -30.579 24.621 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 1.085 -32.693 26.474 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 0.264 -32.267 26.175 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 1.452 -33.095 25.661 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 3.644 -31.573 31.349 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 3.724 -32.363 30.760 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 2.679 -31.387 31.362 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -6.097 -35.498 20.822 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -6.027 -35.598 19.860 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -5.337 -34.918 21.057 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -12.132 -38.844 18.969 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -11.293 -38.418 18.670 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -12.745 -38.721 18.211 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -6.345 -30.313 36.455 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -5.432 -30.371 36.113 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -6.235 -30.131 37.411 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 0.937 -31.089 31.322 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 0.306 -31.746 31.675 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 0.667 -30.247 31.737 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -10.513 -34.652 34.417 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -10.509 -35.613 34.505 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -11.343 -34.462 33.952 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -5.871 -31.893 13.987 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -5.442 -32.044 14.853 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -5.146 -31.972 13.348 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -3.683 -34.624 31.049 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -4.291 -34.312 31.741 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -4.270 -34.851 30.308 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -1.423 -32.650 31.920 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -1.685 -33.565 31.729 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -2.202 -32.273 32.381 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -6.910 -35.265 17.911 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -7.233 -35.644 17.077 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -7.724 -35.124 18.436 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -4.640 -34.757 13.172 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -5.553 -35.063 13.016 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -4.512 -34.865 14.141 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 5.232 -35.724 17.088 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 5.051 -36.068 16.187 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 5.157 -34.753 16.990 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -2.557 -33.284 28.744 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -2.345 -33.964 29.403 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -3.266 -32.746 29.176 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 6.366 -24.617 27.172 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 6.564 -25.139 27.979 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 5.581 -25.063 26.786 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 0.608 -26.047 30.883 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 0.728 -26.227 29.925 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 0.388 -26.925 31.261 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 1.902 -30.272 21.693 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 1.188 -30.954 21.662 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 2.023 -30.108 22.649 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 3.886 -32.185 21.453 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 4.294 -31.923 22.305 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 3.215 -31.491 21.291 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 4.347 -36.161 27.242 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 3.502 -35.710 27.465 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 4.084 -36.881 26.662 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 1.689 -29.516 29.082 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 0.906 -28.955 28.978 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 1.398 -30.228 29.688 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 3.243 -34.805 21.987 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 2.358 -35.115 21.698 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 3.308 -33.893 21.631 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 1.956 -33.313 23.949 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 1.210 -33.180 23.312 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 2.484 -34.027 23.549 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.803 -33.063 28.607 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.348 -33.879 28.334 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -9.330 -32.355 28.118 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -10.200 -27.191 34.796 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -9.735 -27.732 34.120 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -10.651 -26.501 34.275 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 2.765 -27.705 21.205 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 2.517 -28.652 21.215 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 3.584 -27.670 21.719 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -0.312 -28.585 31.469 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -0.797 -28.551 32.324 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -0.869 -29.165 30.907 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -3.108 -24.859 37.823 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -3.369 -25.748 37.496 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -3.035 -24.316 37.010 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -8.386 -30.531 40.955 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -9.092 -30.476 40.274 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -8.771 -31.087 41.647 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 3.555 -27.624 36.255 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 2.943 -28.370 36.339 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 3.572 -27.223 37.151 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -6.793 -28.864 42.436 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -7.452 -29.377 41.916 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -5.941 -29.039 41.975 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -3.796 -30.341 35.118 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -3.109 -29.835 34.654 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -4.098 -30.987 34.455 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -9.963 -28.757 37.056 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -10.234 -28.151 36.332 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -9.577 -29.534 36.585 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -3.638 -27.505 37.266 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -4.120 -28.277 36.932 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -3.428 -27.735 38.197 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -6.357 -29.663 39.180 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -5.576 -29.571 39.766 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -6.986 -30.197 39.706 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -8.942 -30.955 35.856 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -7.977 -30.753 35.900 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -9.009 -31.870 36.207 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -11.309 -29.429 42.496 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -11.441 -30.354 42.187 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -10.615 -29.509 43.192 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -2.063 -28.743 33.502 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -2.961 -28.391 33.313 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -1.790 -28.280 34.326 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 0.611 -29.668 35.251 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -0.030 -28.980 35.527 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 0.078 -30.464 35.159 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -10.478 -30.555 39.127 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -10.342 -29.760 38.570 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -10.959 -31.172 38.541 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -13.860 -28.644 41.756 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -14.060 -28.144 42.557 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -12.952 -28.992 41.914 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -9.119 -29.971 44.074 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -8.983 -30.504 44.877 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -8.260 -29.548 43.919 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -11.593 -31.867 41.313 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -11.953 -32.691 40.933 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -11.203 -31.403 40.547 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -3.289 -25.040 40.539 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -3.308 -24.867 39.570 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -4.175 -24.745 40.853 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -7.883 -18.550 -7.234 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -8.412 -18.261 -6.465 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -7.051 -18.901 -6.833 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 0.981 -13.783 -6.638 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 0.555 -13.932 -7.490 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 1.825 -13.333 -6.869 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -1.123 -15.521 -5.647 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -0.632 -16.258 -5.230 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -0.442 -14.845 -5.814 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -8.245 -23.883 -5.273 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -8.012 -24.522 -4.564 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -9.127 -24.156 -5.552 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -3.739 -15.762 -4.919 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -2.813 -15.582 -5.219 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -4.194 -16.051 -5.722 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 0.999 -11.105 -5.262 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 0.727 -12.009 -5.466 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 0.169 -10.654 -5.014 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -3.596 -10.219 -10.622 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -3.529 -9.636 -11.387 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -4.255 -10.881 -10.885 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 3.453 -18.555 -6.470 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 3.597 -17.866 -7.140 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 4.264 -19.111 -6.521 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 2.390 -19.888 -4.350 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 2.797 -19.329 -5.061 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 1.454 -19.981 -4.634 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -5.903 -13.147 -9.459 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -5.562 -12.554 -10.153 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -6.727 -13.516 -9.848 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -7.274 -15.747 -5.343 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -6.980 -15.676 -6.278 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.998 -16.404 -5.368 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 3.606 -13.331 -7.397 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 4.267 -13.574 -8.072 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 3.716 -14.008 -6.699 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -5.737 -11.718 -11.882 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -5.471 -11.027 -12.535 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -6.052 -12.463 -12.438 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -12.081 -15.008 -4.606 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -13.036 -14.786 -4.668 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -12.019 -15.546 -3.791 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -10.687 -17.109 -12.325 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -10.811 -17.178 -11.351 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -11.206 -17.837 -12.681 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -4.796 -9.685 -13.426 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -4.511 -8.759 -13.247 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -4.479 -9.858 -14.318 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -6.703 -13.886 -13.540 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -7.530 -14.327 -13.240 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -6.154 -14.611 -13.867 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 5.011 -20.267 -3.607 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 4.074 -20.187 -3.877 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 4.964 -20.503 -2.653 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 1.787 -22.530 -3.530 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 1.423 -22.769 -4.402 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 2.207 -21.661 -3.679 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -9.325 -17.595 -5.065 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -8.999 -18.352 -4.513 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -10.136 -17.314 -4.622 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -1.689 -19.778 0.205 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -1.673 -20.206 -0.658 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -2.261 -20.351 0.743 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -8.651 -19.656 -3.443 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -9.459 -19.742 -2.887 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -8.283 -20.547 -3.466 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -0.064 -20.172 -5.475 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -0.203 -21.145 -5.501 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -0.200 -19.891 -6.389 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -5.841 -19.619 -5.781 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -5.893 -20.595 -5.813 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -5.174 -19.438 -5.105 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 4.661 -16.840 -8.543 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 4.668 -17.342 -9.366 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.879 -15.924 -8.820 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -2.533 -17.461 -3.037 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -3.157 -18.218 -3.053 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.981 -16.774 -3.567 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -6.314 -15.312 -7.860 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -6.953 -15.876 -8.347 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -5.946 -14.725 -8.547 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -10.882 -19.596 -1.909 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -11.519 -20.288 -2.182 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -11.367 -19.070 -1.253 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 3.686 -12.935 -3.200 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 2.911 -13.066 -2.618 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 4.228 -13.737 -3.054 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 5.114 -15.234 -2.476 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 5.404 -16.047 -2.953 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 4.778 -15.569 -1.623 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -8.177 -14.287 -10.478 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -8.556 -14.508 -11.356 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -8.229 -15.134 -9.978 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -7.387 -10.123 -10.238 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -7.818 -9.382 -10.722 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -6.843 -10.570 -10.915 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 3.192 -15.159 -5.400 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 3.016 -15.566 -4.523 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 2.326 -14.808 -5.672 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -10.190 -27.116 -4.848 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -10.140 -27.281 -3.882 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -9.544 -27.722 -5.223 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -4.163 -19.690 -3.142 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -3.498 -20.115 -2.573 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -4.846 -20.383 -3.257 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -8.280 -16.688 -9.172 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -8.027 -17.451 -8.602 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -9.199 -16.896 -9.450 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 2.077 -16.386 -3.189 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 1.292 -16.773 -3.634 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 2.423 -17.120 -2.641 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -5.412 -22.099 -3.237 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -5.546 -22.322 -4.183 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.168 -22.530 -2.780 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -6.070 -22.402 -5.910 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -5.882 -22.675 -6.815 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -6.898 -22.891 -5.679 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -5.823 -15.916 -3.107 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -6.461 -15.884 -3.855 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -4.960 -15.765 -3.531 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -0.110 -17.669 -4.231 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -0.958 -17.632 -3.734 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -0.099 -18.568 -4.616 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -2.963 -21.795 -1.723 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -2.207 -22.286 -2.118 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -3.746 -22.130 -2.210 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.323 -22.921 -5.445 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.745 -23.144 -4.588 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -0.594 -23.635 -6.034 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -0.448 -22.757 1.353 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 0.354 -22.259 1.111 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -0.355 -22.896 2.329 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -7.707 -23.096 -2.072 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -7.821 -23.968 -2.514 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -8.613 -22.862 -1.769 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -5.393 -29.042 0.391 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -5.192 -29.594 1.170 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -4.642 -28.416 0.339 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -9.194 -14.964 -12.956 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -9.617 -15.840 -12.763 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -9.894 -14.459 -13.389 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 1.864 -14.186 -1.526 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 1.893 -14.945 -2.148 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 2.240 -14.533 -0.712 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 5.487 -14.233 -9.263 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 5.300 -13.625 -9.995 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 6.443 -14.117 -9.098 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -10.039 -19.682 -8.557 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -9.207 -19.412 -8.116 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -10.156 -20.599 -8.298 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 5.637 -20.150 -6.247 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 5.578 -20.286 -5.277 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 6.248 -20.829 -6.544 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 4.375 -20.801 -1.008 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 3.646 -21.264 -0.570 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 5.166 -21.061 -0.492 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.949 -21.535 1.859 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -6.252 -22.370 1.424 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -4.970 -21.591 1.822 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -0.174 -6.926 -10.849 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -0.268 -6.783 -11.803 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -1.020 -6.596 -10.475 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -9.942 -10.410 -7.370 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -10.873 -10.126 -7.368 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -9.872 -10.997 -8.151 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -9.298 -11.962 -9.550 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -8.647 -11.282 -9.838 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -8.926 -12.806 -9.886 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -7.803 -25.597 -3.169 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -6.938 -25.865 -2.775 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.409 -26.314 -2.921 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -5.583 -26.180 -1.658 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -6.026 -26.188 -0.786 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -4.755 -26.659 -1.503 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.075 -24.780 -0.542 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -0.336 -25.639 -0.147 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -0.230 -24.131 0.179 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 0.265 -25.472 3.153 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 0.597 -26.011 3.897 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 0.234 -24.552 3.515 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 1.869 -9.380 0.067 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 2.581 -8.730 -0.061 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 2.278 -10.063 0.651 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -2.804 -9.953 4.201 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.485 -9.341 4.902 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -3.448 -10.507 4.651 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -1.474 -8.890 2.049 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -1.172 -9.661 1.515 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -2.011 -9.293 2.772 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.949 -8.687 3.442 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 0.138 -8.775 2.914 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.828 -9.334 4.173 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -0.784 -23.178 -2.685 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -0.695 -23.876 -1.997 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 0.127 -22.838 -2.796 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -3.234 -21.997 1.055 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -2.361 -22.351 1.322 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -3.228 -22.061 0.078 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 4.095 -20.563 2.295 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 3.348 -21.028 1.866 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 3.873 -19.609 2.190 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 4.145 -7.771 0.099 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 3.767 -7.105 -0.520 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 5.044 -7.928 -0.242 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -7.053 -23.576 0.568 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -7.225 -23.425 -0.382 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -7.037 -24.555 0.655 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -12.285 -21.969 -2.595 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -12.664 -22.801 -2.951 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -11.481 -22.261 -2.119 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.394 -10.820 0.429 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 0.396 -10.248 0.270 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -0.147 -11.670 0.047 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 2.476 -18.715 -1.792 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 3.206 -19.146 -1.314 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 2.430 -19.195 -2.640 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -10.666 -11.757 7.396 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -11.352 -11.789 6.692 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -11.105 -11.288 8.134 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 4.948 -11.861 11.129 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 5.508 -12.613 11.394 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 4.340 -12.241 10.462 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 3.217 -18.067 1.542 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 3.821 -17.404 1.156 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 2.327 -17.730 1.326 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 2.374 -22.288 0.948 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 2.453 -22.889 0.176 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 2.515 -22.877 1.723 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 2.537 -23.934 -1.219 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 1.720 -24.453 -1.063 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 2.386 -23.505 -2.088 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 3.443 -24.230 2.619 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 4.009 -24.418 1.840 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 3.106 -25.109 2.884 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.615 -10.432 5.508 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 0.221 -10.930 6.231 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 1.568 -10.661 5.551 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.641 -9.897 13.377 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -9.779 -9.587 12.460 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.547 -9.997 13.726 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -6.804 -9.833 13.042 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -6.370 -9.221 12.414 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -7.757 -9.673 12.908 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -10.175 -22.693 -0.978 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -10.362 -23.662 -0.981 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -10.642 -22.363 -0.181 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 6.152 -11.117 1.439 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 6.764 -10.361 1.324 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 5.783 -10.985 2.341 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -8.099 -16.443 26.552 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -8.788 -16.696 27.192 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -8.203 -17.093 25.818 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.055 -15.553 29.802 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -3.498 -14.746 29.469 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -3.277 -15.568 30.755 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 3.468 -27.047 27.782 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 3.302 -27.896 27.305 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 4.150 -27.276 28.435 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 4.747 -24.209 31.262 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 5.116 -25.040 31.587 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 5.501 -23.773 30.803 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -6.410 -12.959 30.713 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -5.733 -13.082 30.004 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -5.870 -12.798 31.528 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 0.776 -26.599 28.218 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 0.561 -25.801 27.690 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 1.734 -26.744 28.053 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -8.435 -18.030 24.364 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -9.071 -18.657 23.981 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -7.607 -18.205 23.884 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -6.798 -15.493 31.835 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -7.594 -15.861 31.392 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -6.724 -14.589 31.474 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -9.387 -15.462 37.816 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -9.760 -15.164 38.654 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -9.724 -14.831 37.168 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -9.298 -14.238 25.235 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -8.972 -15.136 25.436 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -8.804 -13.665 25.857 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 10.334 -15.630 31.322 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 9.752 -16.189 30.763 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 10.424 -14.814 30.823 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -4.747 -12.872 32.802 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -4.350 -13.766 32.842 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -4.827 -12.603 33.740 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -8.741 -10.659 25.703 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -8.355 -11.432 26.174 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -9.251 -11.059 24.964 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 3.480 -23.099 34.273 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 3.318 -22.875 35.213 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 3.296 -24.057 34.223 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -9.185 -16.084 30.521 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -9.549 -16.404 29.668 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -9.706 -16.573 31.201 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -1.992 -12.084 32.061 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -2.937 -12.178 31.865 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -1.953 -12.104 33.045 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 4.536 -17.390 30.466 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 3.861 -16.703 30.634 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 5.332 -17.058 30.929 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -2.930 -17.636 27.921 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -2.953 -16.862 28.525 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -3.747 -18.108 28.110 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 1.109 -13.478 32.225 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 1.403 -12.736 32.798 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 0.609 -13.037 31.513 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -8.849 -13.490 29.581 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -8.012 -13.271 30.041 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -9.084 -14.379 29.926 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 1.840 -23.712 31.370 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 1.453 -24.608 31.223 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 2.517 -23.859 32.054 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 0.438 -12.020 26.162 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 0.085 -12.116 25.255 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 1.408 -11.919 26.031 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 0.135 -15.318 34.001 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.744 -14.997 34.248 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 0.396 -14.743 33.245 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -10.560 -17.195 28.356 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -10.916 -17.784 29.030 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -11.340 -16.973 27.799 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -4.104 -15.575 32.361 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -5.061 -15.693 32.176 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -3.832 -16.424 32.767 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -10.686 -17.702 32.214 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -10.351 -18.326 32.870 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -11.641 -17.634 32.420 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -1.288 -27.779 35.884 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -2.069 -27.557 36.430 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -0.646 -27.046 36.066 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -11.847 -9.772 24.022 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -11.329 -10.595 24.156 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -12.726 -10.090 23.736 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -10.340 -12.066 23.916 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -10.798 -12.325 23.095 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -10.011 -12.916 24.284 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 3.055 -11.774 30.280 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 2.126 -11.512 30.409 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 3.421 -11.806 31.181 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 4.523 -14.812 33.106 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 3.986 -14.939 33.914 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 3.925 -15.081 32.375 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 2.730 -17.178 36.703 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 3.679 -17.404 36.872 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 2.774 -16.323 36.217 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 2.767 -15.333 31.048 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 2.194 -14.655 31.467 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 2.369 -15.462 30.159 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 5.587 -21.375 33.522 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 4.836 -21.971 33.742 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 6.316 -21.989 33.269 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 6.179 -27.122 35.652 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 6.510 -27.744 34.970 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 5.237 -27.376 35.768 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 3.122 -27.928 30.856 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.783 -28.206 31.735 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 2.625 -28.481 30.221 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.772 -16.825 35.528 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -4.309 -17.191 34.743 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -4.927 -17.591 36.089 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -6.719 -15.062 34.589 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -6.789 -15.261 33.636 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -6.013 -15.658 34.908 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.375 -12.275 34.748 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -3.287 -12.103 35.058 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -1.896 -12.543 35.552 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 5.602 -28.756 28.673 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 4.984 -29.212 29.265 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 6.482 -29.050 28.977 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -7.613 -10.478 30.433 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -7.078 -11.288 30.556 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -8.510 -10.756 30.640 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -2.375 -12.064 27.529 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -1.757 -12.485 28.160 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.822 -11.870 26.758 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 0.184 -11.435 30.571 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -0.658 -11.537 31.079 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.039 -11.969 29.758 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -0.037 -13.242 28.521 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.219 -12.843 27.655 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 0.450 -14.084 28.546 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -7.837 -12.841 27.098 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -8.233 -13.072 27.967 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -7.024 -13.392 27.055 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -5.912 -14.713 27.052 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -6.515 -15.455 26.825 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -5.302 -14.650 26.284 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -4.458 -13.325 28.868 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -4.950 -13.819 28.171 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -3.777 -12.821 28.369 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 2.417 -28.721 33.403 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 3.169 -29.329 33.588 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.722 -29.011 34.031 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 4.458 -12.090 32.761 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 4.565 -13.061 32.879 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 5.336 -11.787 32.505 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -12.192 -21.111 36.880 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -11.841 -20.955 37.780 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -12.698 -21.954 36.966 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -5.204 -27.547 44.266 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -5.892 -28.020 43.757 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -5.522 -26.639 44.307 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.294 -22.494 41.839 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -9.343 -22.337 41.986 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.325 -22.968 40.983 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -2.004 -18.801 35.559 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -1.065 -18.621 35.315 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -2.051 -18.550 36.503 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -1.757 -17.845 38.117 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.089 -18.182 38.955 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -0.777 -17.818 38.242 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -7.663 -21.985 41.081 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -7.587 -22.406 40.197 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -7.744 -21.046 40.891 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 0.477 -17.800 35.172 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 0.379 -16.981 34.644 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 1.327 -17.684 35.635 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -5.841 -24.221 41.181 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -6.271 -23.430 41.552 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -6.371 -24.973 41.543 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -0.719 -23.491 38.563 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -1.520 -23.986 38.320 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.750 -23.450 39.546 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -11.879 -25.395 40.664 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -12.169 -24.908 41.471 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -11.205 -26.031 40.998 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -3.270 -29.308 43.509 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -3.872 -28.611 43.858 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -2.815 -29.639 44.288 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -10.255 -23.592 39.321 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -9.386 -23.947 39.068 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -10.785 -24.387 39.554 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -5.206 -22.435 37.036 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -4.417 -22.746 36.541 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -4.912 -21.624 37.459 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -8.584 -27.887 39.239 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -7.745 -28.378 39.159 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -9.078 -28.124 38.427 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -2.542 -15.480 36.775 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -3.374 -15.729 36.329 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -2.252 -16.304 37.213 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 0.590 -25.902 36.199 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 0.979 -25.366 36.918 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 1.205 -25.780 35.451 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 3.260 -22.463 36.946 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 4.205 -22.340 37.161 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 2.867 -21.563 37.065 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.165 -13.157 37.087 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -1.610 -12.793 37.861 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.579 -14.049 36.969 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -13.143 -18.163 33.400 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -12.536 -18.481 34.101 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -13.973 -17.960 33.878 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 2.553 -14.865 35.202 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 1.737 -15.106 34.712 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 2.335 -14.003 35.611 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.896 -17.834 38.689 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 1.420 -17.758 39.495 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 1.488 -17.492 37.984 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -7.061 -13.333 36.607 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -7.039 -13.916 35.809 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -7.413 -13.898 37.300 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -11.252 -19.409 34.951 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -11.588 -20.036 35.630 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -10.626 -18.835 35.450 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 1.813 -24.393 38.155 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 2.318 -23.674 37.704 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 0.941 -23.981 38.359 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -1.000 -23.729 41.266 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -0.940 -23.591 42.214 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -1.836 -24.229 41.147 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -2.660 -27.603 39.854 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -1.710 -27.699 39.989 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -2.864 -26.707 40.211 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -7.441 -26.193 42.122 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -7.162 -27.123 42.226 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -8.403 -26.254 41.971 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -5.030 -11.905 35.434 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -5.695 -12.438 35.929 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -5.380 -11.008 35.466 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 2.010 -11.309 33.691 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 2.962 -11.467 33.512 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 1.880 -11.629 34.604 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -9.517 -18.009 36.594 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -9.607 -17.145 37.046 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -8.601 -18.252 36.738 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 1.455 -12.483 36.201 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 0.530 -12.741 36.417 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 1.718 -11.918 36.936 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -3.445 -18.018 33.437 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -2.844 -18.330 34.159 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -3.316 -18.661 32.730 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -2.859 -23.082 35.745 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -2.005 -22.625 35.804 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -2.823 -23.547 34.876 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.941 -22.256 37.626 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 6.140 -22.148 38.562 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 5.995 -23.232 37.479 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 2.311 -19.993 37.386 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 1.517 -19.699 37.854 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 2.633 -19.195 36.940 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 2.708 -25.879 34.290 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 3.162 -26.400 34.985 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 2.486 -26.540 33.612 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -12.366 -23.895 42.908 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -12.654 -23.573 43.765 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -11.628 -23.294 42.660 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -9.993 -27.183 41.448 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -10.434 -27.989 41.790 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -9.499 -27.497 40.652 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -4.433 -29.262 41.066 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -3.798 -28.688 40.582 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -3.963 -29.479 41.906 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 3.749 -26.191 38.608 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 3.043 -25.515 38.454 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 3.738 -26.331 39.561 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -7.135 -23.499 38.827 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -6.495 -23.198 38.149 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -6.588 -23.996 39.469 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -2.547 -5.875 -10.119 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -2.720 -5.159 -10.761 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -3.370 -6.402 -10.121 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -3.868 -2.421 -9.852 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -3.182 -1.751 -9.722 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -4.646 -2.063 -9.365 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -5.517 1.304 -7.564 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -5.936 1.654 -6.753 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -4.841 1.955 -7.777 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -5.068 -6.927 -10.395 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -4.923 -7.122 -11.341 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -5.636 -7.649 -10.088 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 3.953 -1.937 -16.016 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 3.424 -2.581 -15.484 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 3.317 -1.259 -16.266 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -9.064 -4.272 -12.624 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -9.103 -3.309 -12.563 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -9.264 -4.461 -13.567 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -7.809 -8.718 -7.868 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -8.556 -9.256 -7.534 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -7.535 -9.176 -8.686 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -5.519 -1.371 -7.929 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -4.707 -1.487 -7.389 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -5.708 -0.406 -7.866 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -9.054 -5.288 -9.987 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -8.550 -4.552 -9.567 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -9.233 -4.965 -10.892 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 0.529 1.927 -7.426 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 0.307 2.537 -6.690 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 0.834 2.511 -8.130 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -5.092 -4.763 -8.689 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -4.554 -4.076 -9.129 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -5.089 -5.514 -9.324 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 0.206 4.181 -5.806 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -0.559 4.647 -6.214 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 0.879 4.879 -5.697 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -5.568 0.543 -3.709 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -5.891 1.271 -4.284 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -4.656 0.380 -4.025 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.935 4.065 -6.093 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -3.661 4.574 -5.297 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.316 4.358 -6.782 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -5.256 -5.872 -6.170 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -6.060 -6.403 -6.239 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -5.207 -5.400 -7.031 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -5.097 -4.804 -13.391 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -5.845 -5.278 -12.969 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -5.480 -4.460 -14.231 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -0.689 -0.302 -11.775 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -1.539 0.062 -12.112 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.167 0.478 -11.566 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -2.630 -3.552 -3.606 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -1.698 -3.253 -3.482 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -3.160 -2.818 -3.240 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -0.163 -2.847 -11.141 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -0.970 -3.310 -11.408 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -0.306 -1.920 -11.451 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.436 -3.332 -8.916 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -6.673 -3.914 -8.736 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -7.145 -2.460 -8.600 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 1.105 -0.116 -3.952 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 1.486 -0.345 -4.824 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 1.710 0.565 -3.600 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -7.290 -6.356 -12.699 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -7.666 -6.995 -12.053 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -7.873 -5.570 -12.620 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -6.677 -4.178 -15.535 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -6.649 -3.716 -16.378 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -7.603 -4.482 -15.458 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 2.893 9.635 -0.192 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.723 9.413 -0.671 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 3.197 10.047 0.627 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.505 -10.157 -13.138 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -9.112 -10.869 -13.688 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -9.466 -9.374 -13.704 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 6.243 -0.169 -9.500 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 7.060 0.138 -9.918 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 6.273 0.217 -8.601 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.905 0.028 -4.348 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -3.000 -0.508 -3.536 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.159 0.611 -4.159 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -3.041 -1.291 -6.771 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -3.062 -0.887 -5.876 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -2.316 -0.817 -7.229 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 2.627 1.949 -2.990 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 2.046 2.722 -3.179 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 2.473 1.769 -2.034 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 2.165 -0.148 -6.592 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 1.596 0.582 -6.917 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 2.136 -0.809 -7.307 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -0.770 -0.487 -8.012 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -0.463 0.419 -7.796 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 0.007 -0.902 -8.449 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 2.112 6.154 -4.847 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 1.284 6.668 -4.780 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 2.796 6.828 -5.074 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -9.399 -6.508 -7.495 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -9.386 -5.979 -8.319 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -8.696 -7.180 -7.632 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -1.400 -5.848 -13.242 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -1.820 -5.079 -12.804 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -0.817 -5.456 -13.902 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -2.926 -3.887 -11.962 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -3.690 -4.072 -12.560 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -3.292 -3.262 -11.296 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -3.818 -7.199 -12.984 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -2.864 -6.997 -13.089 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -4.267 -6.383 -13.290 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 1.426 -1.690 -9.120 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 0.982 -2.151 -9.864 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.386 -1.767 -9.331 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 2.344 7.901 -7.762 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 2.514 8.420 -6.965 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 3.225 7.565 -8.019 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -10.942 -9.481 -10.909 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -10.521 -9.824 -11.731 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -11.475 -10.224 -10.587 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 0.816 3.949 -3.064 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 0.334 4.639 -2.561 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 0.422 3.986 -3.958 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -1.210 0.011 -1.705 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -0.955 0.241 -0.780 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -0.501 0.393 -2.245 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 4.128 1.303 -5.310 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 3.485 0.702 -5.750 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 3.730 1.479 -4.436 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -7.991 -0.368 -0.917 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -8.884 -0.408 -0.501 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -8.055 -0.969 -1.679 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -7.005 -1.938 -3.236 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -6.438 -1.141 -3.193 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -7.224 -2.019 -4.172 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -4.251 -5.739 -3.662 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -4.633 -5.761 -4.573 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -3.680 -4.937 -3.660 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -6.176 2.703 -5.315 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -5.379 3.236 -5.557 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -6.872 3.358 -5.197 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 5.049 7.262 -7.924 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 5.517 6.474 -7.563 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 5.572 7.518 -8.691 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 6.377 5.274 -6.531 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 5.562 4.877 -6.135 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 6.958 4.501 -6.704 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 5.563 -2.174 -13.723 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 5.236 -1.963 -14.620 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 4.772 -2.454 -13.246 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 6.446 0.696 -6.772 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 6.904 1.565 -6.814 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.610 0.891 -6.294 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 4.094 4.242 -5.540 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.893 3.292 -5.520 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 3.273 4.671 -5.237 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -2.971 0.856 -12.695 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -3.669 1.373 -12.278 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -3.204 0.849 -13.629 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 2.677 -3.695 -14.431 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 2.075 -3.897 -13.707 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 3.020 -4.576 -14.715 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.010 -7.398 -2.898 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -7.112 -7.784 -2.973 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -7.865 -6.434 -3.038 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 3.783 -6.073 -15.179 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 4.125 -6.855 -14.704 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 4.337 -6.021 -15.974 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -8.738 -7.847 -10.936 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -9.605 -8.317 -10.919 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -8.910 -7.012 -10.448 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -12.623 -9.740 -7.754 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -12.509 -10.477 -8.400 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -13.247 -9.142 -8.187 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.897 5.630 -4.107 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -3.066 5.871 -3.191 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -2.025 6.024 -4.301 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -0.525 7.108 -4.309 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -0.291 6.771 -3.414 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -0.843 8.006 -4.147 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -1.747 5.651 -7.132 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -2.201 6.383 -6.699 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -1.167 6.091 -7.800 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -0.115 7.186 -8.679 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -0.235 7.827 -9.385 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 0.781 7.390 -8.318 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 0.320 -8.174 -8.480 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 0.340 -7.869 -9.416 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -0.336 -8.909 -8.483 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 5.127 -8.166 -13.849 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 4.917 -8.820 -13.144 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 5.884 -7.675 -13.497 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -8.303 -12.001 -14.787 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -7.673 -12.621 -14.367 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -8.453 -12.372 -15.662 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -8.394 -7.644 -14.883 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -7.731 -8.156 -15.359 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -7.914 -7.294 -14.103 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -1.653 -10.042 -8.655 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -2.374 -9.988 -9.320 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -1.491 -10.982 -8.562 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -9.316 -5.079 -15.263 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -10.102 -5.024 -15.820 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -9.133 -6.045 -15.200 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -4.864 0.057 2.176 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -5.103 0.960 1.892 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -3.953 0.145 2.497 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 8.399 2.122 5.161 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 8.784 2.909 4.759 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 8.829 2.059 6.020 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -13.782 -4.214 2.805 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -14.220 -4.968 2.338 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -14.467 -3.870 3.388 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 5.452 -7.608 8.913 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 5.285 -7.757 7.960 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 4.606 -7.246 9.253 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 2.635 -4.950 7.903 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 2.889 -5.471 8.695 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 1.960 -5.501 7.466 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.149 -7.197 5.169 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.800 -6.550 4.837 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.339 -8.016 4.658 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 1.889 -5.218 1.009 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 2.461 -5.742 1.598 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 0.990 -5.349 1.378 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -5.078 -4.491 11.146 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -4.184 -4.101 11.276 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -5.541 -4.304 11.986 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -5.699 -5.902 8.905 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -5.337 -5.372 9.656 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -6.490 -5.423 8.641 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 1.852 -0.455 2.223 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 2.539 0.135 2.568 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 2.018 -1.308 2.677 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 2.406 -2.906 3.679 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 2.833 -2.781 4.543 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 1.842 -3.700 3.810 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 1.134 -8.650 10.707 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.689 -9.521 10.534 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 0.481 -7.988 10.405 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -4.261 -9.556 9.653 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -4.342 -10.425 10.053 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -4.912 -9.008 10.135 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 6.007 1.211 4.137 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 5.717 0.473 4.708 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 6.816 1.552 4.577 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 3.449 -2.764 0.797 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 2.843 -3.531 0.868 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 3.716 -2.588 1.723 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 5.171 -10.705 3.936 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 4.424 -10.629 4.569 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 5.968 -10.560 4.491 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -9.746 -2.119 2.517 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -9.708 -1.308 1.979 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -10.603 -2.519 2.276 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -1.629 8.526 -1.648 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -2.374 8.972 -1.234 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -0.877 9.155 -1.530 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 4.271 4.664 1.866 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 4.784 5.014 2.607 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 4.444 5.299 1.136 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.976 -7.915 11.076 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -5.747 -7.271 10.379 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.881 -7.645 11.360 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 2.321 -7.653 12.865 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 1.922 -6.784 12.651 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 1.848 -8.280 12.272 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -5.530 -1.343 -0.049 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -6.396 -0.977 -0.329 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -5.336 -0.877 0.797 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.335 -2.282 -2.952 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.710 -1.620 -2.342 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 0.400 -1.809 -3.388 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 1.045 -5.515 11.693 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 0.499 -5.805 10.928 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 0.404 -5.075 12.289 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 1.057 -7.243 7.153 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 1.798 -7.317 6.509 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 0.360 -7.804 6.777 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -11.836 -8.655 6.089 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -11.040 -8.125 6.283 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -11.746 -8.886 5.142 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -2.309 -8.210 6.260 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -3.201 -7.790 6.340 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -2.098 -8.496 7.179 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -9.202 -5.379 4.426 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -8.827 -4.499 4.259 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -10.008 -5.409 3.853 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 2.628 -9.541 8.206 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 2.290 -10.153 8.903 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 2.048 -8.769 8.268 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -2.633 -3.415 11.683 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -2.085 -2.809 11.181 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -2.022 -3.801 12.343 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -4.950 2.584 1.026 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -5.244 2.242 0.145 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -5.556 3.311 1.208 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -0.294 0.631 0.777 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -1.030 0.936 1.351 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 0.322 0.173 1.394 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 4.160 1.761 2.225 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 4.774 1.586 2.977 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 4.073 2.733 2.210 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.502 -0.663 0.222 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -11.142 0.079 0.134 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.067 -1.441 0.404 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 3.251 5.403 -2.286 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 2.963 5.762 -3.144 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 2.611 4.700 -2.098 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -8.541 -7.290 11.706 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -9.086 -6.942 12.444 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -9.086 -7.133 10.911 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -2.517 1.705 2.107 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -3.264 2.047 1.571 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -2.286 2.439 2.685 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -12.579 1.090 0.046 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -12.741 1.996 0.327 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -13.441 0.771 -0.239 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -0.286 -6.640 9.531 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 0.219 -6.665 8.694 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -1.062 -7.219 9.357 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -0.445 -6.240 2.213 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -0.728 -5.984 3.112 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -0.746 -7.165 2.126 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 1.955 4.253 0.432 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 1.615 5.162 0.357 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 2.664 4.319 1.104 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -4.339 -3.740 -0.574 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -3.857 -3.275 -1.280 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -4.935 -3.051 -0.206 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.779 -4.406 13.491 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -1.290 -4.988 14.097 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.249 -3.861 14.083 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -1.462 -6.052 4.826 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -2.192 -5.503 5.140 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -1.640 -6.934 5.226 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 4.557 -9.271 12.323 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 4.131 -10.091 12.007 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 3.813 -8.648 12.444 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -4.663 -6.876 6.447 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -5.512 -7.003 5.972 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -4.934 -6.616 7.352 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -0.197 6.217 -1.785 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -0.853 6.917 -1.569 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 0.553 6.400 -1.176 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 2.039 1.647 -0.359 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 1.982 2.589 -0.067 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 1.255 1.225 0.054 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -6.122 1.644 -1.206 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -6.915 1.096 -1.029 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -5.837 1.363 -2.097 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -3.517 -1.450 -2.013 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -4.250 -1.242 -1.392 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -2.763 -0.912 -1.682 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -4.216 -6.024 13.968 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -4.882 -5.306 13.929 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.323 -6.489 13.128 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.121 -3.992 13.685 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.770 -3.089 13.885 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -7.052 -3.941 13.923 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -2.445 -6.021 18.210 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -1.712 -6.478 18.675 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -2.281 -5.070 18.387 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -1.968 -5.889 15.494 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -2.245 -6.042 16.423 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -2.795 -6.035 14.970 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 0.721 -6.124 16.087 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -0.204 -6.142 15.756 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 0.693 -5.488 16.832 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -10.753 -6.849 16.410 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -10.670 -6.749 17.380 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -11.663 -7.203 16.282 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 5.051 -1.422 2.673 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 4.974 -1.421 3.649 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 6.004 -1.334 2.511 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 2.911 -2.537 6.443 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 2.029 -2.152 6.480 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 2.844 -3.342 7.002 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 5.161 -1.224 5.431 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 5.846 -1.594 5.999 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 4.326 -1.609 5.782 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 1.131 -5.123 4.683 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 1.657 -5.932 4.611 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 0.221 -5.441 4.850 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 3.033 -6.698 10.029 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 2.654 -6.120 10.719 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 2.637 -7.574 10.215 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.199 -6.253 13.736 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -10.813 -5.547 13.518 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -10.358 -6.425 14.687 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.171 -7.238 5.352 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 3.883 -7.841 5.661 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 3.177 -7.341 4.374 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -9.566 -7.034 6.680 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -8.684 -7.418 6.533 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -9.625 -6.316 6.019 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 3.164 -7.226 15.369 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 2.877 -7.415 14.445 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 2.419 -6.714 15.745 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 2.833 -6.063 -1.519 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 2.425 -5.584 -0.768 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 2.083 -6.291 -2.096 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -11.307 -5.494 2.711 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -11.435 -5.510 1.741 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -12.150 -5.134 3.052 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -11.125 -9.210 11.064 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -11.566 -9.781 10.398 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -10.726 -8.495 10.533 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 2.237 -11.060 12.523 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 1.343 -10.957 12.870 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 2.101 -11.208 11.555 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -1.810 -8.803 8.856 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -2.741 -8.995 9.123 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.289 -9.547 9.263 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 5.571 -8.364 6.165 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 6.163 -9.139 6.084 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 6.087 -7.632 5.766 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -9.329 -11.198 4.965 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -10.028 -11.657 4.481 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -9.551 -11.346 5.905 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -7.609 -9.503 3.731 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -6.873 -10.109 3.596 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -8.302 -10.061 4.164 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 3.134 -7.275 2.613 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 3.466 -7.615 1.753 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 2.310 -7.798 2.777 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 8.923 5.593 -1.186 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 8.189 4.955 -1.250 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 8.841 5.957 -0.289 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -8.799 -9.308 18.492 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -8.886 -9.241 17.510 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -9.403 -8.606 18.832 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -2.664 -4.102 25.201 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -2.489 -4.537 26.066 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -2.184 -3.269 25.257 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -6.659 -6.220 23.422 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -6.088 -5.424 23.447 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -7.494 -5.931 23.854 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -3.922 -3.482 20.620 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -4.323 -4.317 20.289 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -3.115 -3.373 20.074 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -9.080 -5.642 24.527 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -9.434 -6.536 24.760 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -9.836 -5.181 24.147 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -4.962 -6.513 27.613 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -5.816 -6.120 27.316 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -5.233 -7.266 28.172 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -1.479 -7.681 21.718 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -2.400 -7.396 21.888 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -1.267 -8.271 22.476 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -7.489 -6.040 26.779 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -8.078 -5.598 26.141 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -7.501 -6.976 26.504 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -6.967 -8.694 26.265 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -7.600 -9.429 26.106 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -6.724 -8.786 27.213 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 0.814 -8.966 31.670 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 1.266 -9.317 32.450 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 0.551 -9.764 31.170 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -0.161 -6.795 19.516 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 0.216 -7.578 19.051 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -0.553 -7.169 20.344 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -2.447 -5.373 27.624 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.291 -4.572 28.178 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -3.349 -5.666 27.874 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.893 -7.201 18.433 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -7.398 -8.024 18.578 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -7.212 -6.876 17.581 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -5.153 -1.560 14.367 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -4.914 -0.664 14.116 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.586 -1.752 15.143 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -4.561 -4.365 23.213 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -4.326 -3.805 22.444 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -3.909 -4.114 23.903 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -4.788 -5.871 19.556 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -5.537 -6.320 19.107 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -4.013 -6.063 18.981 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -12.575 -9.226 18.376 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -13.364 -9.277 18.973 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -12.930 -8.863 17.539 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -10.677 -7.444 19.180 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -10.678 -7.432 20.162 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -11.464 -7.982 18.949 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -3.923 -2.433 16.704 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -4.340 -3.302 16.725 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -4.299 -1.965 17.489 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 0.239 -4.041 30.175 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 0.004 -4.964 30.432 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 1.160 -3.953 30.435 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.548 -6.765 25.223 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -3.275 -5.868 24.949 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -4.003 -6.625 26.082 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -8.482 -9.972 21.935 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -9.356 -9.629 22.174 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -7.980 -9.173 21.657 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -1.610 -7.866 26.776 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -1.605 -7.085 27.366 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -2.150 -7.575 26.010 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 0.630 -4.493 18.333 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 0.365 -5.294 18.850 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 1.482 -4.244 18.707 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -4.948 -1.441 19.015 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -4.694 -2.061 19.728 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.299 -0.676 19.480 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -0.381 -6.594 30.905 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -1.271 -6.952 30.953 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 0.195 -7.348 31.171 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -4.066 -6.791 22.054 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -4.337 -6.585 21.135 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -4.199 -5.947 22.535 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -1.950 -3.076 28.944 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -2.209 -2.331 29.490 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -1.101 -3.386 29.345 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -7.144 -7.750 21.189 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -6.989 -7.104 21.910 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.986 -7.244 20.375 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -10.745 -12.293 27.853 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -10.173 -12.656 28.556 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -10.278 -11.507 27.547 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -6.615 -8.426 28.958 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -6.863 -9.172 29.555 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -7.252 -7.731 29.171 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -3.481 -9.845 26.098 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -2.804 -9.234 26.450 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -3.423 -10.623 26.681 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 0.864 -8.467 17.616 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 0.792 -7.766 16.944 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 1.528 -9.086 17.245 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -1.942 -3.368 18.597 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -2.206 -2.807 17.844 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -0.982 -3.515 18.465 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 0.809 -8.724 25.930 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 0.020 -8.386 26.415 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 1.125 -9.459 26.476 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -10.978 -8.577 21.707 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -11.404 -8.771 22.566 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -11.117 -9.389 21.184 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 2.934 -9.758 16.398 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 3.307 -10.384 15.733 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 3.154 -8.874 16.041 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -11.728 -12.733 21.522 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -11.415 -11.954 21.000 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -11.036 -13.420 21.362 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -0.880 -9.241 23.838 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -0.273 -8.999 24.565 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -0.874 -10.218 23.841 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 3.115 -11.596 25.608 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 3.570 -12.313 25.144 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 3.435 -10.778 25.157 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -9.965 -8.125 25.198 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -10.788 -8.515 24.838 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -9.450 -8.896 25.492 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -7.682 -11.460 19.762 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -7.928 -10.614 19.338 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -7.859 -11.304 20.714 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -10.939 -10.715 19.925 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -11.548 -10.274 19.290 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -10.053 -10.528 19.572 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 5.457 9.041 -1.087 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 5.931 9.870 -0.958 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 6.089 8.483 -1.609 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 4.137 7.931 -5.412 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 4.942 8.068 -4.889 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 4.470 7.747 -6.314 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 0.407 10.267 -1.197 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 1.304 10.005 -0.900 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 0.410 11.227 -1.137 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 1.802 7.031 -0.115 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 1.868 8.001 -0.045 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 2.728 6.739 -0.210 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 11.374 -26.831 8.840 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 10.716 -27.538 8.672 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 12.019 -27.250 9.445 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 10.854 -30.580 10.852 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 10.136 -30.733 11.517 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 11.031 -31.457 10.494 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 8.697 -31.086 12.397 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 8.207 -30.782 13.174 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 8.084 -30.920 11.647 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 5.656 -28.810 7.373 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 6.258 -28.069 7.151 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 5.684 -29.386 6.581 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 9.586 -27.804 5.322 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 9.343 -28.673 5.721 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 10.082 -28.038 4.529 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 4.848 -31.036 11.640 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 5.045 -31.181 12.579 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 4.221 -31.748 11.415 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 5.963 -30.171 4.998 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 6.662 -30.700 4.598 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 5.767 -29.484 4.323 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 6.034 -29.812 14.290 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 6.313 -29.379 15.126 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 5.731 -30.693 14.567 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 10.768 -32.167 20.086 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 11.283 -31.835 20.847 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 9.852 -32.236 20.427 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 4.833 -32.392 14.339 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 4.517 -33.208 13.897 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 5.046 -32.683 15.257 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 12.563 -28.428 10.844 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 13.433 -28.840 10.868 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 11.935 -29.185 10.899 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 7.100 -30.395 10.260 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 6.909 -29.621 9.715 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 6.235 -30.613 10.679 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 10.827 -24.938 10.723 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 10.845 -24.057 10.297 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 10.971 -25.566 9.980 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 8.795 -30.067 6.575 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 9.197 -29.764 7.422 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 7.952 -30.452 6.839 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.243 -25.474 6.610 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 10.744 -25.759 7.398 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 10.145 -26.294 6.082 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 7.385 -26.739 6.671 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 8.156 -27.095 6.181 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 7.360 -25.794 6.420 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 6.975 -32.469 23.312 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 6.729 -33.403 23.123 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 6.127 -32.041 23.544 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 5.960 -34.831 22.241 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.171 -35.309 21.416 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 4.991 -34.942 22.338 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 13.544 -29.583 35.127 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 14.471 -29.901 35.067 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 13.199 -30.007 35.917 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 6.268 -31.183 26.364 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 6.239 -30.215 26.253 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 5.746 -31.520 25.622 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 12.291 -30.898 22.090 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 13.130 -30.754 21.640 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 11.924 -29.994 22.211 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 11.428 -30.871 24.759 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 10.486 -30.793 24.502 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 11.876 -31.139 23.934 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 15.521 -29.352 32.041 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 15.523 -29.970 32.798 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 16.277 -28.764 32.217 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 8.829 -30.344 23.913 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 8.807 -29.918 23.034 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 8.231 -31.116 23.818 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 7.284 -32.098 28.731 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.890 -32.990 28.822 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 6.976 -31.795 27.844 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 9.158 -29.551 21.074 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 9.155 -29.183 20.165 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 8.761 -30.443 20.968 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 8.112 -32.056 20.871 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 7.754 -32.229 21.770 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 7.386 -32.326 20.269 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 7.491 -29.007 34.026 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 7.147 -29.919 34.108 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.694 -28.914 33.076 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 9.244 -28.961 18.266 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 9.702 -29.781 17.961 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 8.496 -28.867 17.651 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 5.813 -33.011 19.637 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 5.899 -33.979 19.763 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 5.105 -32.748 20.264 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 2.962 -29.402 26.614 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 2.576 -29.742 27.449 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 2.504 -29.908 25.916 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 5.994 -30.152 31.346 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 5.183 -30.708 31.290 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.701 -30.784 31.580 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 16.154 -30.252 34.645 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 16.811 -30.863 34.998 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 16.663 -29.426 34.467 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 17.428 -27.987 33.796 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 18.295 -27.644 34.040 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 16.891 -27.177 33.614 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 6.359 -28.403 26.097 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 6.001 -28.386 27.015 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 7.330 -28.370 26.215 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 8.263 -29.561 28.929 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 8.625 -29.396 28.032 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 7.959 -30.500 28.896 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 13.980 -29.978 29.803 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 14.379 -30.744 29.381 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 14.575 -29.782 30.559 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 5.274 -28.468 23.590 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 5.843 -27.842 23.094 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 5.568 -28.367 24.525 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 10.391 -31.298 17.560 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 10.532 -32.071 17.013 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 10.603 -31.605 18.472 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.282 -31.649 31.828 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 9.115 -31.165 32.040 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 8.368 -31.872 30.886 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 10.151 -11.764 -10.491 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 9.888 -11.639 -11.412 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 9.485 -12.387 -10.135 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 8.286 -12.600 -6.504 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 8.508 -12.268 -5.613 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 8.218 -13.576 -6.383 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 11.179 -14.153 -6.294 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.802 -14.341 -7.021 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.321 -14.439 -6.636 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 5.665 -16.260 -6.053 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 5.394 -16.614 -6.925 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 4.841 -15.870 -5.688 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 8.226 -13.339 -9.167 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 8.255 -12.975 -8.250 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 8.837 -14.117 -9.135 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 8.207 -15.290 -6.342 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 7.284 -15.593 -6.175 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.740 -16.079 -6.202 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.092 -9.506 -3.083 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 10.528 -10.293 -3.084 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 11.235 -9.314 -4.039 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 5.823 -17.593 -3.628 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 5.898 -17.311 -4.561 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 5.647 -18.551 -3.680 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 4.663 -9.741 -11.610 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 3.796 -10.094 -11.380 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 5.292 -10.421 -11.287 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 6.476 -11.616 -10.518 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 7.089 -12.289 -10.170 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 6.914 -10.760 -10.299 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 3.284 -11.071 1.623 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 3.570 -10.889 2.529 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 4.094 -11.350 1.171 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 10.196 -15.250 -9.195 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 11.132 -15.035 -8.982 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 10.254 -16.053 -9.722 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 12.762 -14.553 -8.572 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 13.681 -14.846 -8.583 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 12.805 -13.616 -8.887 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 7.925 -9.392 -9.859 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.827 -9.548 -9.533 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 7.804 -8.432 -9.765 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 10.442 -9.856 -8.442 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.368 -10.673 -8.973 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 11.299 -9.472 -8.717 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 7.016 -18.740 9.708 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 6.521 -19.048 8.914 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 7.182 -17.791 9.525 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 12.315 -13.209 9.087 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 13.252 -13.029 8.963 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 12.040 -13.644 8.250 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 11.943 -16.971 6.861 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 11.696 -16.022 6.830 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.584 -17.071 6.152 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.136 -24.490 10.617 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.052 -24.776 10.818 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 7.754 -24.293 11.488 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 9.364 -14.873 8.641 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 9.792 -15.546 9.213 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 9.447 -14.040 9.149 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 8.679 -12.575 12.443 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 8.802 -13.245 13.127 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 7.995 -11.972 12.816 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 9.629 -28.951 8.902 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 8.923 -28.348 9.238 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 9.865 -29.498 9.678 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 11.274 -14.252 6.732 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 10.399 -14.421 7.139 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 11.083 -13.609 6.008 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 7.008 -16.200 8.515 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 6.545 -15.932 7.686 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 7.866 -15.725 8.473 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 10.005 -9.778 14.919 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 9.350 -9.270 14.384 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 10.825 -9.698 14.424 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 8.269 -16.154 11.765 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.042 -16.456 11.243 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 8.277 -16.727 12.556 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.849 -12.928 17.966 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.228 -12.074 17.664 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.596 -13.561 17.897 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.579 -12.415 4.803 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.479 -11.443 4.866 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 10.302 -12.623 3.906 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 6.686 -14.088 11.039 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 7.361 -13.389 11.069 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 7.176 -14.899 11.314 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 7.426 -10.311 5.529 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.285 -10.061 5.131 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.675 -10.792 6.347 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 7.812 -26.991 9.373 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 7.574 -26.851 8.434 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 7.809 -26.092 9.758 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 10.928 -18.869 8.547 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 10.951 -19.702 8.029 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 11.267 -18.188 7.916 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 10.876 -21.341 7.314 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 10.679 -21.915 8.091 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 11.475 -21.872 6.774 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 7.097 -20.496 11.998 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 7.970 -20.603 11.573 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 6.662 -19.806 11.466 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 5.012 -24.535 0.403 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 5.458 -23.668 0.319 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 4.407 -24.568 -0.360 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 9.928 -22.681 9.464 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 9.129 -23.236 9.568 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.675 -21.822 9.868 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 8.098 -21.580 6.991 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.056 -21.391 7.032 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 7.681 -20.716 7.112 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 8.238 -18.039 13.905 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 7.599 -18.464 14.518 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 8.533 -18.762 13.337 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 9.259 -20.194 10.352 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.469 -19.696 10.041 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 10.009 -19.743 9.915 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 6.195 -14.029 3.945 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 5.964 -13.124 4.182 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 6.032 -14.540 4.763 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 10.082 -9.427 7.829 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 10.650 -9.577 8.594 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.425 -10.153 7.873 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 4.883 -16.162 0.175 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 5.154 -15.293 0.552 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 5.706 -16.665 0.130 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 6.347 -10.120 9.543 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 5.834 -9.312 9.317 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 5.754 -10.621 10.145 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 6.028 -13.835 1.151 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 6.121 -14.059 2.104 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 6.090 -12.856 1.132 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 7.377 -23.177 3.322 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 7.846 -23.447 4.139 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 6.549 -22.766 3.648 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 11.117 -12.523 -4.125 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 12.023 -12.171 -4.023 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 11.189 -13.156 -4.877 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 5.258 -12.455 6.841 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 6.167 -12.240 7.102 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 5.267 -13.442 6.728 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 6.616 -11.287 22.036 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 6.147 -10.446 21.859 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 7.240 -11.059 22.761 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 6.503 -19.262 15.735 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 6.630 -18.794 16.594 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 5.548 -19.270 15.608 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.527 -16.789 10.275 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.426 -16.582 10.561 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 10.638 -17.568 9.683 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 6.879 -22.194 15.546 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 6.920 -21.259 15.823 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 6.338 -22.629 16.239 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 8.265 -23.218 13.350 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 8.270 -22.405 12.831 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 7.876 -22.949 14.208 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 5.242 -22.138 13.307 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 5.755 -21.552 12.716 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 5.836 -22.283 14.068 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 9.622 -25.461 14.258 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 9.292 -24.687 13.757 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.281 -25.875 13.657 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.619 -26.575 12.737 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 11.417 -25.901 12.053 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.994 -27.318 12.230 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 11.616 -26.347 15.971 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.138 -26.689 15.236 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.844 -25.932 15.541 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.511 -11.985 -3.703 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 8.125 -12.599 -3.037 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 9.459 -12.256 -3.762 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 7.026 -6.285 5.143 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 6.410 -5.649 5.576 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 7.716 -6.455 5.825 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 3.300 -10.812 5.928 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 3.964 -11.470 6.232 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 3.147 -10.244 6.720 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 5.706 -19.227 7.381 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 5.497 -19.635 6.537 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 5.173 -18.388 7.379 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 4.906 -22.438 4.117 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 4.292 -23.102 3.725 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 4.634 -21.592 3.703 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.129 -8.493 13.459 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.353 -8.082 13.898 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.057 -8.201 12.520 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 5.664 -8.160 14.621 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 5.273 -8.554 13.812 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 4.934 -7.629 15.004 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 7.628 -8.018 10.787 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 6.927 -7.471 10.397 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.453 -8.909 10.431 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 8.086 -11.396 7.975 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.620 -11.945 8.591 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 7.444 -10.928 8.565 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 9.756 -12.490 9.896 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.726 -12.648 9.832 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 9.583 -12.423 10.863 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 6.428 -25.626 2.568 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 5.973 -25.430 1.721 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 6.973 -24.826 2.735 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.997 -24.067 5.885 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.859 -24.483 6.127 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.007 -23.203 6.360 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 10.095 -9.660 5.066 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.323 -8.831 4.623 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 10.255 -9.478 6.017 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 6.057 -21.971 0.906 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 5.507 -21.426 1.508 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 6.800 -22.266 1.464 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 6.812 -28.381 16.639 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 7.090 -27.500 16.297 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 6.566 -28.204 17.571 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 6.972 -13.328 -1.781 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 6.372 -14.009 -2.155 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 6.885 -13.439 -0.821 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 5.650 -18.670 26.207 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 6.629 -18.654 26.088 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 5.410 -19.609 26.072 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.433 -16.925 29.781 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 7.759 -16.700 30.458 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 8.025 -16.642 28.936 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.157 -20.918 27.438 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 8.984 -20.466 28.297 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 10.093 -21.217 27.515 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 6.578 -21.843 27.341 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 6.582 -22.790 27.092 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 7.498 -21.544 27.174 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 6.644 -16.693 21.913 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 7.551 -16.358 21.785 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 6.200 -15.987 22.444 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 11.837 -29.113 26.750 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.783 -29.860 26.102 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 12.267 -29.500 27.522 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 10.017 -17.949 24.161 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.779 -18.112 23.223 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.827 -17.440 24.113 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 8.284 -18.781 25.967 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 8.956 -18.544 25.279 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.647 -19.592 26.385 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.766 -17.745 33.897 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 8.692 -17.402 33.944 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 7.659 -18.250 34.716 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.604 -18.194 21.505 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 8.789 -18.577 21.119 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 9.595 -17.258 21.199 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 8.809 -19.761 29.879 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 8.937 -18.804 29.723 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 8.148 -19.793 30.613 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 4.462 -12.456 27.957 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 4.026 -12.230 28.807 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 3.909 -12.023 27.283 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 7.945 -9.975 24.055 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 7.464 -10.128 24.875 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.116 -9.029 24.052 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 10.309 -16.753 33.807 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 11.224 -16.714 34.094 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 10.316 -16.320 32.921 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 15.885 -25.829 33.201 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 15.792 -25.157 32.513 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 15.038 -25.788 33.688 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 11.309 -27.099 18.599 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 11.534 -26.803 17.689 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 10.602 -27.761 18.466 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 7.247 -26.261 29.163 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.717 -25.719 29.847 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.560 -26.739 29.672 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 7.623 -25.838 16.024 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 8.352 -25.857 15.361 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 7.577 -24.917 16.295 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 12.219 -24.260 23.480 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 11.561 -23.867 22.872 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 12.185 -25.210 23.281 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 10.550 -23.246 21.428 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 11.252 -23.534 20.823 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 10.599 -22.263 21.401 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 13.373 -24.940 25.895 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 13.042 -24.411 25.138 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 13.226 -25.869 25.611 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.051 -20.537 21.238 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 11.842 -20.209 20.804 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.527 -19.729 21.424 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 5.312 -17.834 37.058 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 6.139 -17.483 37.396 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 5.577 -18.652 36.576 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 11.697 -21.640 27.991 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 11.918 -21.976 28.884 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.551 -21.449 27.593 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.144 -16.479 27.314 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.752 -17.020 26.778 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.294 -16.945 27.248 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.071 -19.568 31.930 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 6.537 -20.195 32.455 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.325 -18.877 32.574 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 7.142 -19.101 20.620 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 6.794 -18.341 21.136 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 6.848 -19.879 21.113 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 6.640 -16.287 31.863 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.037 -16.784 32.613 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 6.069 -15.622 32.297 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.071 -15.681 20.595 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 8.659 -14.816 20.816 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 9.440 -15.540 19.699 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 14.082 -23.818 28.279 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 13.936 -24.149 27.363 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 15.040 -23.823 28.381 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.513 -23.873 20.772 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 13.666 -23.746 21.721 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 14.355 -23.644 20.361 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 12.527 -22.807 30.325 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 13.049 -22.917 31.150 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 13.067 -23.260 29.641 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 11.267 -28.361 22.387 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.491 -27.545 21.881 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 10.448 -28.693 21.955 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.551 -13.449 20.604 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.227 -12.715 21.174 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.653 -13.039 19.720 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 4.686 -17.455 23.999 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 5.419 -17.635 23.391 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 4.952 -17.899 24.835 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 6.267 -20.088 35.896 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 6.021 -20.454 35.021 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.212 -20.858 36.500 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 9.860 -14.844 18.033 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 10.791 -14.768 17.800 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 9.499 -15.494 17.377 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 7.874 -22.682 32.846 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.322 -23.023 33.656 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.603 -22.359 32.289 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.849 -16.650 16.321 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 8.810 -17.037 15.425 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.194 -17.161 16.833 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 6.715 -22.905 29.891 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 7.605 -22.732 30.237 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 6.698 -22.447 29.029 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 6.962 -17.884 18.052 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 7.097 -18.439 18.848 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 6.663 -17.021 18.411 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.624 -24.880 31.008 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.202 -24.125 30.791 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.254 -24.651 31.874 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.732 -22.323 30.696 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 10.698 -22.456 30.595 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 9.584 -21.402 30.391 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.049 -23.796 34.994 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.861 -24.326 35.119 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 8.490 -24.041 35.739 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 14.140 -23.395 32.467 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 14.478 -22.816 33.156 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 13.709 -24.131 32.959 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 8.994 -27.307 35.675 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 8.091 -27.079 35.964 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 8.857 -28.019 35.023 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 12.344 -27.875 30.298 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 12.841 -28.679 30.024 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 12.505 -27.815 31.262 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 13.211 -28.103 32.905 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 14.041 -28.430 32.499 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 13.177 -28.564 33.778 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 4.361 -12.989 21.731 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.081 -12.351 21.851 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 4.597 -13.728 22.325 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 5.709 -14.050 26.062 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 5.322 -13.491 26.773 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 6.251 -14.697 26.539 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 5.750 -27.425 31.267 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 4.779 -27.341 31.127 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 5.878 -28.387 31.423 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 12.303 -27.241 24.737 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 12.158 -27.882 25.463 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 11.936 -27.691 23.946 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 9.081 -28.896 26.325 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 10.049 -28.797 26.452 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 9.000 -29.388 25.477 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 5.306 -14.880 23.488 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 4.815 -15.680 23.780 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 5.520 -14.413 24.330 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 11.897 -26.084 21.018 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 11.688 -26.462 20.127 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 12.541 -25.375 20.829 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.416 -28.352 31.404 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 7.644 -27.757 31.366 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.353 -28.880 30.577 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.363 -29.936 32.441 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.786 -29.189 32.170 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 11.161 -29.511 32.777 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 6.172 -15.567 19.395 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 6.022 -16.047 20.231 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 6.735 -14.808 19.659 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 13.205 -25.513 33.909 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.442 -25.416 34.519 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.064 -26.390 33.491 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 11.065 -25.567 35.680 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 10.358 -26.256 35.603 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 11.390 -25.664 36.582 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.351 2.367 -10.514 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.793 2.357 -11.370 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 9.838 1.523 -10.499 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 5.751 -3.752 -17.042 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 5.947 -3.506 -17.950 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 5.129 -3.062 -16.733 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 4.148 -1.923 -9.682 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 4.599 -2.664 -10.139 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 4.803 -1.188 -9.709 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 7.900 -1.364 -12.425 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 7.000 -1.254 -12.789 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 8.213 -2.195 -12.825 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 8.395 -4.436 -10.766 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 9.117 -3.817 -10.569 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 8.269 -4.357 -11.742 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 12.577 -3.735 -11.028 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.039 -3.221 -11.703 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 12.384 -4.579 -11.459 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.456 -8.568 -6.944 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.288 -7.934 -7.672 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.200 -9.116 -7.276 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 13.433 -1.711 -7.835 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 12.543 -1.361 -7.635 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 14.032 -1.016 -7.545 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 8.346 -6.660 -8.967 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 9.080 -6.204 -8.500 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 8.161 -6.080 -9.732 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 10.855 -0.868 -7.397 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 10.902 -0.869 -6.412 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 10.629 0.067 -7.622 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.483 -2.702 -9.501 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 11.306 -2.969 -9.966 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 10.792 -2.100 -8.789 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 12.082 4.025 -7.200 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 13.006 4.106 -7.462 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 11.585 4.471 -7.928 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 7.976 -0.521 -4.739 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 7.307 -0.709 -4.047 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 7.477 -0.040 -5.430 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 10.749 4.884 -9.395 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 10.493 4.040 -9.821 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 10.493 5.558 -10.033 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 10.639 -0.938 -4.697 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 9.665 -0.790 -4.660 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 10.993 -0.349 -3.994 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 12.720 -11.985 -9.491 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 12.950 -11.045 -9.354 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 11.876 -11.954 -9.983 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 10.274 -5.012 -7.905 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 10.567 -4.633 -7.046 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 10.300 -4.252 -8.519 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 7.721 -3.953 -13.372 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 6.923 -3.404 -13.531 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 7.689 -4.630 -14.090 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 7.055 -5.582 -15.465 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 6.675 -4.872 -16.026 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 6.793 -6.408 -15.917 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 8.868 2.376 -4.285 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.124 1.477 -4.039 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 9.409 2.944 -3.699 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 12.455 -6.719 -8.360 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 11.587 -6.322 -8.154 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 13.054 -5.943 -8.446 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 9.240 -0.149 -10.451 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 8.740 -0.465 -11.244 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 9.688 -0.944 -10.124 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 12.918 -6.005 -5.550 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 13.470 -5.372 -6.026 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 12.885 -6.780 -6.134 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 10.444 1.819 -7.796 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 11.028 2.492 -7.391 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 10.431 2.055 -8.746 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 4.881 -6.544 -11.225 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 4.286 -6.424 -11.975 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 4.837 -7.494 -11.037 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 7.270 7.556 -2.392 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 7.255 7.532 -3.374 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 8.014 6.973 -2.150 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 10.806 -3.608 -5.564 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 10.887 -4.338 -4.912 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 11.037 -2.806 -5.055 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 10.987 -7.236 -1.552 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 11.067 -8.097 -2.023 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 10.871 -7.483 -0.626 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 13.053 -9.206 -9.252 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 12.861 -8.318 -8.862 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 13.905 -9.091 -9.686 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 13.684 -4.330 -8.555 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.774 -3.455 -8.119 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 13.413 -4.110 -9.465 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 10.734 -5.879 -3.930 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 11.581 -6.045 -4.410 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 10.870 -6.304 -3.052 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 11.675 -9.550 -5.741 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 12.356 -10.213 -5.544 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 11.351 -9.794 -6.621 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 6.076 -6.717 -3.320 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 6.256 -7.085 -2.431 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 6.941 -6.785 -3.788 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 13.372 -10.945 -3.783 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 14.141 -11.019 -3.209 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 12.795 -10.298 -3.332 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 5.693 -4.048 -10.403 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 5.290 -4.914 -10.642 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 6.634 -4.151 -10.648 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 7.977 2.966 -6.745 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.226 2.860 -5.794 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 8.768 2.668 -7.227 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 5.805 -7.789 -16.528 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 5.703 -8.516 -17.149 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 5.549 -8.170 -15.665 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 6.753 -10.274 -2.477 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 7.470 -10.737 -2.960 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 6.224 -10.993 -2.099 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 4.832 -5.127 6.174 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 4.298 -4.782 6.907 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 4.241 -5.767 5.735 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 7.325 -0.523 1.309 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.720 0.150 1.880 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 8.066 -1.154 1.133 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 11.622 -5.141 1.130 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 11.060 -4.803 0.402 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 12.521 -4.963 0.836 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 8.503 -7.198 7.262 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 8.150 -7.001 8.138 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 9.164 -7.900 7.423 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 8.267 -6.745 -4.885 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 9.164 -6.493 -4.566 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 8.439 -7.436 -5.562 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 9.845 -7.184 1.617 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 10.626 -6.599 1.700 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 9.147 -6.596 1.271 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 9.482 -2.167 1.039 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 9.520 -2.833 0.319 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 10.180 -2.438 1.646 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 10.885 0.959 -2.641 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 10.876 1.943 -2.627 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 11.094 0.714 -1.734 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 9.715 -4.306 -0.691 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 8.963 -4.810 -0.298 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 9.845 -4.715 -1.558 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 7.744 -5.813 0.438 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 7.345 -6.456 -0.180 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 7.145 -5.832 1.220 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 10.527 3.701 -2.532 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 10.151 4.437 -2.007 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 11.082 4.151 -3.213 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 11.880 4.846 -4.567 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 12.554 5.525 -4.642 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 11.821 4.464 -5.467 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 6.193 -9.971 16.670 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 7.167 -10.066 16.693 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 6.027 -9.372 15.909 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 6.205 -6.536 2.572 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 6.544 -6.390 3.489 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 5.239 -6.561 2.677 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 3.647 -12.992 9.005 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 2.844 -12.443 9.199 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 4.007 -12.610 8.181 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 6.766 -8.039 -0.971 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 6.810 -8.818 -1.579 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 7.103 -8.389 -0.112 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 7.060 5.702 1.059 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 6.401 6.316 0.705 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 6.896 4.878 0.577 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 7.554 -8.741 1.524 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 7.018 -8.088 2.026 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 8.480 -8.448 1.666 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 4.097 -11.382 14.553 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 4.993 -11.376 14.177 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 3.505 -11.344 13.770 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 6.712 -10.874 13.295 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 6.018 -10.501 12.716 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 7.290 -10.110 13.492 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 7.134 7.508 -5.126 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 6.849 6.683 -5.579 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 7.924 7.778 -5.605 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 4.038 -9.497 24.105 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 3.357 -8.801 23.983 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 4.618 -9.399 23.327 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 5.404 -8.814 21.784 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 5.204 -7.872 21.793 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 5.402 -9.052 20.824 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 2.090 -7.602 23.753 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 1.707 -7.900 24.607 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 1.349 -7.192 23.292 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 5.555 -9.804 19.301 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 5.510 -10.765 19.379 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 5.760 -9.651 18.355 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 8.878 -10.444 17.286 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 9.330 -10.283 16.423 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 9.327 -9.852 17.902 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 4.597 6.528 -0.207 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 4.325 6.057 -1.032 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 4.889 7.408 -0.521 1.00 0.00 WAT1 END