REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -791.846, 83.7528, 105.71, 42.5966, 561.389, -590.021, -998.042, 2.68931, 7.99435E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.472817E-03,0.437866,1.06727,42.475,3.841084E-03,9.353057E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 48, 4 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.403 -12.509 -6.287 1.00 74.24 ATOM 2 CB MET 1 13.569 -10.758 -7.228 1.00 60.02 ATOM 3 HB1 MET 1 13.185 -9.815 -6.864 1.00 38.50 ATOM 4 HB2 MET 1 12.867 -11.163 -7.943 1.00 4.32 ATOM 5 CG MET 1 14.883 -10.486 -7.960 1.00 73.52 ATOM 6 HG1 MET 1 14.679 -9.853 -8.813 1.00 38.50 ATOM 7 HG2 MET 1 15.291 -11.425 -8.306 1.00 32.43 ATOM 8 SD MET 1 16.113 -9.676 -6.924 1.00 34.02 ATOM 9 CE MET 1 17.505 -9.580 -8.049 1.00 13.42 ATOM 10 HE1 MET 1 17.791 -10.576 -8.353 1.00 12.44 ATOM 11 HE2 MET 1 18.338 -9.101 -7.553 1.00 4.22 ATOM 12 HE3 MET 1 17.226 -9.004 -8.919 1.00 62.24 ATOM 13 C MET 1 14.158 -11.008 -4.769 1.00 21.41 ATOM 14 O MET 1 13.344 -10.615 -3.931 1.00 72.40 ATOM 15 N MET 1 12.368 -12.394 -5.804 1.00 73.43 ATOM 16 HT1 MET 1 12.448 -13.094 -5.036 1.00 38.50 ATOM 17 HT2 MET 1 12.050 -12.882 -6.666 1.00 38.50 ATOM 18 HT3 MET 1 11.653 -11.685 -5.539 1.00 38.50 ATOM 19 CA MET 1 13.685 -11.736 -6.043 1.00 3.15 ATOM 20 N GLY 2 15.472 -10.839 -4.624 1.00 44.32 ATOM 21 HN GLY 2 16.074 -11.130 -5.341 1.00 38.50 ATOM 22 CA GLY 2 16.029 -10.224 -3.421 1.00 73.14 ATOM 23 HA1 GLY 2 17.084 -10.453 -3.376 1.00 38.50 ATOM 24 HA2 GLY 2 15.547 -10.660 -2.558 1.00 44.55 ATOM 25 C GLY 2 15.855 -8.705 -3.361 1.00 63.21 ATOM 26 O GLY 2 15.531 -8.162 -2.304 1.00 22.33 ATOM 27 N HIS 3 16.069 -8.023 -4.493 1.00 45.35 ATOM 28 HN HIS 3 16.314 -8.521 -5.302 1.00 38.50 ATOM 29 CA HIS 3 15.965 -6.553 -4.566 1.00 72.13 ATOM 30 HA HIS 3 16.815 -6.142 -4.037 1.00 52.31 ATOM 31 CB HIS 3 16.030 -6.096 -6.031 1.00 20.34 ATOM 32 HB1 HIS 3 15.251 -6.594 -6.590 1.00 38.50 ATOM 33 HB2 HIS 3 16.990 -6.372 -6.442 1.00 43.55 ATOM 34 CG HIS 3 15.860 -4.617 -6.218 1.00 54.32 ATOM 35 ND1 HIS 3 14.868 -4.069 -7.001 1.00 3.41 ATOM 36 HD1 HIS 3 14.195 -4.571 -7.508 1.00 10.30 ATOM 37 CD2 HIS 3 16.570 -3.568 -5.733 1.00 60.11 ATOM 38 HD2 HIS 3 17.428 -3.621 -5.076 1.00 74.42 ATOM 39 CE1 HIS 3 14.970 -2.757 -6.988 1.00 52.40 ATOM 40 HE1 HIS 3 14.323 -2.067 -7.510 1.00 15.25 ATOM 41 NE2 HIS 3 15.990 -2.429 -6.229 1.00 3.22 ATOM 42 HE2 HIS 3 16.284 -1.507 -6.045 1.00 38.50 ATOM 43 C HIS 3 14.678 -6.031 -3.903 1.00 23.21 ATOM 44 O HIS 3 14.719 -5.116 -3.078 1.00 1.13 ATOM 45 N HIS 4 13.534 -6.594 -4.281 1.00 44.25 ATOM 46 HN HIS 4 13.538 -7.235 -5.024 1.00 38.50 ATOM 47 CA HIS 4 12.272 -6.272 -3.613 1.00 63.45 ATOM 48 HA HIS 4 12.392 -5.315 -3.118 1.00 3.42 ATOM 49 CB HIS 4 11.127 -6.167 -4.631 1.00 53.34 ATOM 50 HB1 HIS 4 10.836 -7.160 -4.943 1.00 38.50 ATOM 51 HB2 HIS 4 11.471 -5.613 -5.492 1.00 32.44 ATOM 52 CG HIS 4 9.909 -5.474 -4.092 1.00 45.11 ATOM 53 ND1 HIS 4 8.878 -6.135 -3.462 1.00 4.43 ATOM 54 HD1 HIS 4 8.829 -7.101 -3.295 1.00 71.15 ATOM 55 CD2 HIS 4 9.561 -4.165 -4.097 1.00 20.32 ATOM 56 HD2 HIS 4 10.137 -3.348 -4.511 1.00 34.05 ATOM 57 CE1 HIS 4 7.953 -5.266 -3.105 1.00 73.53 ATOM 58 HE1 HIS 4 7.032 -5.500 -2.592 1.00 72.30 ATOM 59 NE2 HIS 4 8.342 -4.067 -3.476 1.00 44.13 ATOM 60 HE2 HIS 4 7.926 -3.229 -3.178 1.00 38.50 ATOM 61 C HIS 4 11.961 -7.339 -2.550 1.00 51.22 ATOM 62 O HIS 4 11.387 -8.390 -2.853 1.00 23.23 ATOM 63 N HIS 5 12.363 -7.064 -1.310 1.00 33.12 ATOM 64 HN HIS 5 12.729 -6.174 -1.122 1.00 38.50 ATOM 65 CA HIS 5 12.262 -8.038 -0.214 1.00 23.40 ATOM 66 HA HIS 5 12.745 -8.948 -0.543 1.00 61.31 ATOM 67 CB HIS 5 13.004 -7.511 1.019 1.00 42.31 ATOM 68 HB1 HIS 5 12.934 -8.239 1.816 1.00 38.50 ATOM 69 HB2 HIS 5 12.543 -6.589 1.341 1.00 32.22 ATOM 70 CG HIS 5 14.458 -7.234 0.774 1.00 1.15 ATOM 71 ND1 HIS 5 14.960 -5.966 0.581 1.00 5.42 ATOM 72 HD1 HIS 5 14.440 -5.132 0.594 1.00 24.13 ATOM 73 CD2 HIS 5 15.523 -8.070 0.692 1.00 64.13 ATOM 74 HD2 HIS 5 15.505 -9.145 0.791 1.00 61.42 ATOM 75 CE1 HIS 5 16.261 -6.031 0.390 1.00 11.24 ATOM 76 HE1 HIS 5 16.914 -5.190 0.212 1.00 1.02 ATOM 77 NE2 HIS 5 16.628 -7.292 0.455 1.00 34.05 ATOM 78 HE2 HIS 5 17.512 -7.629 0.203 1.00 38.50 ATOM 79 C HIS 5 10.800 -8.362 0.144 1.00 14.04 ATOM 80 O HIS 5 9.903 -7.553 -0.084 1.00 51.32 ATOM 81 N HIS 6 10.574 -9.555 0.701 1.00 22.23 ATOM 82 HN HIS 6 11.339 -10.138 0.897 1.00 38.50 ATOM 83 CA HIS 6 9.220 -10.014 1.050 1.00 74.04 ATOM 84 HA HIS 6 8.769 -9.259 1.679 1.00 64.34 ATOM 85 CB HIS 6 8.370 -10.174 -0.223 1.00 61.34 ATOM 86 HB1 HIS 6 8.258 -9.208 -0.695 1.00 38.50 ATOM 87 HB2 HIS 6 7.393 -10.548 0.047 1.00 1.35 ATOM 88 CG HIS 6 8.960 -11.114 -1.231 1.00 31.54 ATOM 89 ND1 HIS 6 9.875 -10.716 -2.182 1.00 44.43 ATOM 90 HD1 HIS 6 10.213 -9.805 -2.308 1.00 75.33 ATOM 91 CD2 HIS 6 8.769 -12.440 -1.433 1.00 2.13 ATOM 92 HD2 HIS 6 8.115 -13.087 -0.868 1.00 3.10 ATOM 93 CE1 HIS 6 10.217 -11.749 -2.920 1.00 23.45 ATOM 94 HE1 HIS 6 10.916 -11.733 -3.743 1.00 30.45 ATOM 95 NE2 HIS 6 9.564 -12.806 -2.489 1.00 14.31 ATOM 96 HE2 HIS 6 9.498 -13.656 -2.974 1.00 38.50 ATOM 97 C HIS 6 9.264 -11.340 1.832 1.00 73.54 ATOM 98 O HIS 6 8.435 -12.226 1.620 1.00 2.24 ATOM 99 N HIS 7 10.228 -11.453 2.750 1.00 22.12 ATOM 100 HN HIS 7 10.821 -10.685 2.903 1.00 38.50 ATOM 101 CA HIS 7 10.430 -12.669 3.557 1.00 51.44 ATOM 102 HA HIS 7 11.258 -12.476 4.223 1.00 72.15 ATOM 103 CB HIS 7 9.184 -12.980 4.406 1.00 1.44 ATOM 104 HB1 HIS 7 9.395 -13.824 5.047 1.00 38.50 ATOM 105 HB2 HIS 7 8.364 -13.232 3.750 1.00 5.31 ATOM 106 CG HIS 7 8.743 -11.842 5.273 1.00 13.32 ATOM 107 ND1 HIS 7 7.782 -10.939 4.882 1.00 21.30 ATOM 108 HD1 HIS 7 7.308 -10.943 4.023 1.00 60.44 ATOM 109 CD2 HIS 7 9.124 -11.464 6.518 1.00 61.52 ATOM 110 HD2 HIS 7 9.868 -11.948 7.136 1.00 15.30 ATOM 111 CE1 HIS 7 7.589 -10.059 5.838 1.00 10.43 ATOM 112 HE1 HIS 7 6.891 -9.235 5.804 1.00 21.24 ATOM 113 NE2 HIS 7 8.387 -10.352 6.845 1.00 33.44 ATOM 114 HE2 HIS 7 8.293 -9.986 7.752 1.00 38.50 ATOM 115 C HIS 7 10.785 -13.891 2.686 1.00 63.53 ATOM 116 O HIS 7 9.900 -14.584 2.181 1.00 71.15 ATOM 117 N HIS 8 12.083 -14.148 2.501 1.00 53.14 ATOM 118 HN HIS 8 12.750 -13.541 2.884 1.00 38.50 ATOM 119 CA HIS 8 12.530 -15.330 1.746 1.00 72.11 ATOM 120 HA HIS 8 11.702 -16.027 1.729 1.00 63.50 ATOM 121 CB HIS 8 12.877 -14.962 0.288 1.00 32.52 ATOM 122 HB1 HIS 8 12.021 -14.480 -0.164 1.00 38.50 ATOM 123 HB2 HIS 8 13.095 -15.868 -0.260 1.00 43.51 ATOM 124 CG HIS 8 14.056 -14.046 0.127 1.00 44.03 ATOM 125 ND1 HIS 8 15.306 -14.498 -0.229 1.00 23.33 ATOM 126 HD1 HIS 8 15.552 -15.434 -0.391 1.00 44.02 ATOM 127 CD2 HIS 8 14.172 -12.702 0.258 1.00 13.01 ATOM 128 HD2 HIS 8 13.384 -12.013 0.527 1.00 51.24 ATOM 129 CE1 HIS 8 16.136 -13.482 -0.310 1.00 73.43 ATOM 130 HE1 HIS 8 17.182 -13.542 -0.569 1.00 14.13 ATOM 131 NE2 HIS 8 15.480 -12.378 -0.019 1.00 51.21 ATOM 132 HE2 HIS 8 15.913 -11.531 0.232 1.00 38.50 ATOM 133 C HIS 8 13.713 -16.028 2.445 1.00 71.12 ATOM 134 O HIS 8 14.878 -15.684 2.230 1.00 33.33 ATOM 135 N SER 9 13.396 -17.004 3.294 1.00 40.42 ATOM 136 HN SER 9 12.448 -17.244 3.402 1.00 38.50 ATOM 137 CA SER 9 14.407 -17.742 4.069 1.00 25.11 ATOM 138 HA SER 9 15.062 -18.239 3.367 1.00 44.03 ATOM 139 CB SER 9 15.241 -16.784 4.942 1.00 11.30 ATOM 140 HB1 SER 9 14.596 -16.307 5.667 1.00 38.50 ATOM 141 HB2 SER 9 15.692 -16.030 4.314 1.00 41.13 ATOM 142 OG SER 9 16.274 -17.476 5.633 1.00 71.32 ATOM 143 HG SER 9 16.807 -16.843 6.135 1.00 33.44 ATOM 144 C SER 9 13.748 -18.802 4.962 1.00 12.31 ATOM 145 O SER 9 12.532 -19.004 4.914 1.00 72.10 ATOM 146 N HIS 10 14.555 -19.470 5.781 1.00 23.23 ATOM 147 HN HIS 10 15.514 -19.253 5.782 1.00 38.50 ATOM 148 CA HIS 10 14.059 -20.496 6.702 1.00 73.31 ATOM 149 HA HIS 10 13.055 -20.767 6.397 1.00 42.30 ATOM 150 CB HIS 10 14.956 -21.740 6.636 1.00 21.53 ATOM 151 HB1 HIS 10 14.539 -22.513 7.267 1.00 38.50 ATOM 152 HB2 HIS 10 15.943 -21.485 6.994 1.00 24.43 ATOM 153 CG HIS 10 15.102 -22.303 5.251 1.00 30.24 ATOM 154 ND1 HIS 10 14.336 -23.344 4.776 1.00 31.00 ATOM 155 HD1 HIS 10 13.641 -23.821 5.281 1.00 11.54 ATOM 156 CD2 HIS 10 15.932 -21.962 4.233 1.00 44.13 ATOM 157 HD2 HIS 10 16.674 -21.176 4.244 1.00 32.44 ATOM 158 CE1 HIS 10 14.683 -23.619 3.536 1.00 2.05 ATOM 159 HE1 HIS 10 14.249 -24.387 2.914 1.00 54.43 ATOM 160 NE2 HIS 10 15.646 -22.796 3.183 1.00 32.45 ATOM 161 HE2 HIS 10 16.167 -22.866 2.352 1.00 38.50 ATOM 162 C HIS 10 14.015 -19.947 8.139 1.00 73.44 ATOM 163 O HIS 10 15.057 -19.715 8.754 1.00 14.22 ATOM 164 N MET 11 12.808 -19.733 8.664 1.00 74.25 ATOM 165 HN MET 11 12.013 -19.983 8.148 1.00 38.50 ATOM 166 CA MET 11 12.639 -19.151 10.003 1.00 13.04 ATOM 167 HA MET 11 13.249 -18.259 10.048 1.00 31.23 ATOM 168 CB MET 11 11.173 -18.753 10.231 1.00 53.21 ATOM 169 HB1 MET 11 11.044 -18.463 11.264 1.00 38.50 ATOM 170 HB2 MET 11 10.547 -19.609 10.028 1.00 22.34 ATOM 171 CG MET 11 10.707 -17.598 9.349 1.00 13.51 ATOM 172 HG1 MET 11 10.790 -17.896 8.314 1.00 38.50 ATOM 173 HG2 MET 11 11.345 -16.745 9.529 1.00 24.13 ATOM 174 SD MET 11 8.997 -17.116 9.676 1.00 32.21 ATOM 175 CE MET 11 8.846 -15.664 8.633 1.00 75.31 ATOM 176 HE1 MET 11 7.851 -15.254 8.729 1.00 13.14 ATOM 177 HE2 MET 11 9.023 -15.939 7.604 1.00 31.33 ATOM 178 HE3 MET 11 9.571 -14.924 8.938 1.00 12.35 ATOM 179 C MET 11 13.105 -20.114 11.107 1.00 35.11 ATOM 180 O MET 11 12.679 -21.269 11.165 1.00 4.43 ATOM 181 N ASN 12 13.975 -19.617 11.986 1.00 33.23 ATOM 182 HN ASN 12 14.242 -18.678 11.907 1.00 38.50 ATOM 183 CA ASN 12 14.546 -20.424 13.068 1.00 71.52 ATOM 184 HA ASN 12 14.958 -21.320 12.623 1.00 24.04 ATOM 185 CB ASN 12 15.680 -19.656 13.758 1.00 74.30 ATOM 186 HB1 ASN 12 16.022 -20.221 14.615 1.00 38.50 ATOM 187 HB2 ASN 12 15.308 -18.697 14.092 1.00 2.40 ATOM 188 CG ASN 12 16.863 -19.419 12.837 1.00 64.35 ATOM 189 OD1 ASN 12 16.732 -19.404 11.618 1.00 3.22 ATOM 190 ND2 ASN 12 18.028 -19.203 13.414 1.00 41.35 ATOM 191 HD21 ASN 12 18.067 -19.203 14.393 1.00 54.30 ATOM 192 HD22 ASN 12 18.803 -19.040 12.838 1.00 71.01 ATOM 193 C ASN 12 13.479 -20.837 14.096 1.00 23.22 ATOM 194 O ASN 12 13.207 -20.119 15.064 1.00 43.02 ATOM 195 N SER 13 12.879 -22.002 13.868 1.00 74.32 ATOM 196 HN SER 13 13.135 -22.513 13.071 1.00 38.50 ATOM 197 CA SER 13 11.844 -22.547 14.757 1.00 64.33 ATOM 198 HA SER 13 11.018 -21.852 14.763 1.00 72.24 ATOM 199 CB SER 13 11.349 -23.898 14.222 1.00 55.55 ATOM 200 HB1 SER 13 10.905 -23.754 13.247 1.00 38.50 ATOM 201 HB2 SER 13 10.608 -24.302 14.895 1.00 34.52 ATOM 202 OG SER 13 12.415 -24.833 14.105 1.00 43.31 ATOM 203 HG SER 13 12.149 -25.549 13.517 1.00 61.53 ATOM 204 C SER 13 12.356 -22.715 16.194 1.00 70.31 ATOM 205 O SER 13 11.583 -22.657 17.149 1.00 73.22 ATOM 206 N ALA 14 13.659 -22.917 16.345 1.00 12.23 ATOM 207 HN ALA 14 14.227 -22.981 15.545 1.00 38.50 ATOM 208 CA ALA 14 14.270 -23.065 17.668 1.00 52.31 ATOM 209 HA ALA 14 13.723 -23.834 18.198 1.00 2.44 ATOM 210 CB ALA 14 15.715 -23.530 17.527 1.00 24.35 ATOM 211 HB1 ALA 14 16.295 -22.766 17.029 1.00 14.45 ATOM 212 HB2 ALA 14 15.746 -24.440 16.945 1.00 31.03 ATOM 213 HB3 ALA 14 16.133 -23.718 18.506 1.00 25.44 ATOM 214 C ALA 14 14.200 -21.762 18.485 1.00 34.30 ATOM 215 O ALA 14 13.888 -21.780 19.677 1.00 3.40 ATOM 216 N GLU 15 14.473 -20.632 17.835 1.00 65.52 ATOM 217 HN GLU 15 14.638 -20.664 16.869 1.00 38.50 ATOM 218 CA GLU 15 14.518 -19.339 18.528 1.00 35.05 ATOM 219 HA GLU 15 15.124 -19.474 19.414 1.00 34.04 ATOM 220 CB GLU 15 15.185 -18.273 17.646 1.00 13.13 ATOM 221 HB1 GLU 15 15.171 -17.328 18.170 1.00 38.50 ATOM 222 HB2 GLU 15 14.621 -18.176 16.728 1.00 55.44 ATOM 223 CG GLU 15 16.633 -18.604 17.288 1.00 51.13 ATOM 224 HG1 GLU 15 16.635 -19.423 16.580 1.00 38.50 ATOM 225 HG2 GLU 15 17.151 -18.911 18.185 1.00 41.13 ATOM 226 CD GLU 15 17.381 -17.430 16.675 1.00 0.22 ATOM 227 OE1 GLU 15 17.321 -17.251 15.440 1.00 1.41 ATOM 228 OE2 GLU 15 18.045 -16.687 17.428 1.00 42.32 ATOM 229 C GLU 15 13.122 -18.874 18.976 1.00 21.14 ATOM 230 O GLU 15 12.963 -18.348 20.082 1.00 23.23 ATOM 231 N GLN 16 12.108 -19.072 18.128 1.00 43.45 ATOM 232 HN GLN 16 12.292 -19.432 17.234 1.00 38.50 ATOM 233 CA GLN 16 10.728 -18.739 18.508 1.00 54.12 ATOM 234 HA GLN 16 10.719 -17.703 18.821 1.00 62.23 ATOM 235 CB GLN 16 9.760 -18.905 17.320 1.00 32.30 ATOM 236 HB1 GLN 16 10.120 -18.308 16.493 1.00 38.50 ATOM 237 HB2 GLN 16 8.786 -18.538 17.613 1.00 3.10 ATOM 238 CG GLN 16 9.597 -20.342 16.834 1.00 21.31 ATOM 239 HG1 GLN 16 9.296 -20.959 17.668 1.00 38.50 ATOM 240 HG2 GLN 16 10.550 -20.690 16.459 1.00 20.32 ATOM 241 CD GLN 16 8.564 -20.484 15.726 1.00 21.42 ATOM 242 OE1 GLN 16 8.348 -19.572 14.934 1.00 61.13 ATOM 243 NE2 GLN 16 7.909 -21.626 15.666 1.00 22.10 ATOM 244 HE21 GLN 16 8.119 -22.315 16.328 1.00 44.22 ATOM 245 HE22 GLN 16 7.237 -21.734 14.961 1.00 60.01 ATOM 246 C GLN 16 10.269 -19.607 19.691 1.00 52.35 ATOM 247 O GLN 16 9.553 -19.139 20.579 1.00 32.45 ATOM 248 N THR 17 10.704 -20.871 19.702 1.00 2.42 ATOM 249 HN THR 17 11.243 -21.196 18.949 1.00 38.50 ATOM 250 CA THR 17 10.389 -21.795 20.804 1.00 63.34 ATOM 251 HA THR 17 9.310 -21.854 20.885 1.00 20.43 ATOM 252 CB THR 17 10.933 -23.221 20.531 1.00 2.34 ATOM 253 HB THR 17 12.008 -23.164 20.414 1.00 40.03 ATOM 254 OG1 THR 17 10.365 -23.743 19.320 1.00 54.41 ATOM 255 HG1 THR 17 11.022 -23.709 18.618 1.00 55.13 ATOM 256 CG2 THR 17 10.617 -24.174 21.685 1.00 21.15 ATOM 257 HG21 THR 17 9.548 -24.205 21.847 1.00 33.43 ATOM 258 HG22 THR 17 11.107 -23.830 22.584 1.00 1.40 ATOM 259 HG23 THR 17 10.971 -25.165 21.441 1.00 73.31 ATOM 260 C THR 17 10.959 -21.289 22.135 1.00 12.54 ATOM 261 O THR 17 10.295 -21.358 23.168 1.00 40.52 ATOM 262 N VAL 18 12.191 -20.774 22.102 1.00 54.21 ATOM 263 HN VAL 18 12.697 -20.800 21.260 1.00 38.50 ATOM 264 CA VAL 18 12.815 -20.179 23.295 1.00 33.51 ATOM 265 HA VAL 18 12.980 -20.971 24.013 1.00 60.34 ATOM 266 CB VAL 18 14.187 -19.530 22.959 1.00 15.20 ATOM 267 HB VAL 18 14.018 -18.750 22.230 1.00 4.42 ATOM 268 CG1 VAL 18 14.809 -18.886 24.199 1.00 54.14 ATOM 269 HG11 VAL 18 15.759 -18.441 23.938 1.00 54.04 ATOM 270 HG12 VAL 18 14.962 -19.639 24.958 1.00 12.11 ATOM 271 HG13 VAL 18 14.147 -18.120 24.581 1.00 74.43 ATOM 272 CG2 VAL 18 15.144 -20.553 22.343 1.00 14.11 ATOM 273 HG21 VAL 18 16.090 -20.079 22.125 1.00 75.44 ATOM 274 HG22 VAL 18 14.719 -20.940 21.427 1.00 52.01 ATOM 275 HG23 VAL 18 15.301 -21.367 23.036 1.00 32.00 ATOM 276 C VAL 18 11.897 -19.117 23.928 1.00 33.44 ATOM 277 O VAL 18 11.529 -19.211 25.100 1.00 62.03 ATOM 278 N THR 19 11.513 -18.121 23.133 1.00 54.11 ATOM 279 HN THR 19 11.838 -18.101 22.208 1.00 38.50 ATOM 280 CA THR 19 10.619 -17.051 23.601 1.00 32.52 ATOM 281 HA THR 19 11.064 -16.616 24.486 1.00 72.35 ATOM 282 CB THR 19 10.475 -15.934 22.537 1.00 60.34 ATOM 283 HB THR 19 10.050 -16.364 21.639 1.00 43.35 ATOM 284 OG1 THR 19 11.768 -15.388 22.225 1.00 35.42 ATOM 285 HG1 THR 19 12.050 -15.703 21.360 1.00 3.43 ATOM 286 CG2 THR 19 9.560 -14.812 23.021 1.00 11.01 ATOM 287 HG21 THR 19 9.966 -14.379 23.923 1.00 72.33 ATOM 288 HG22 THR 19 8.575 -15.209 23.225 1.00 4.13 ATOM 289 HG23 THR 19 9.488 -14.051 22.257 1.00 71.40 ATOM 290 C THR 19 9.228 -17.598 23.968 1.00 62.34 ATOM 291 O THR 19 8.561 -17.078 24.863 1.00 24.33 ATOM 292 N TRP 20 8.802 -18.657 23.280 1.00 43.41 ATOM 293 HN TRP 20 9.361 -19.008 22.554 1.00 38.50 ATOM 294 CA TRP 20 7.521 -19.315 23.575 1.00 52.42 ATOM 295 HA TRP 20 6.746 -18.562 23.515 1.00 10.13 ATOM 296 CB TRP 20 7.237 -20.403 22.527 1.00 54.23 ATOM 297 HB1 TRP 20 8.060 -21.105 22.520 1.00 38.50 ATOM 298 HB2 TRP 20 7.160 -19.944 21.552 1.00 1.13 ATOM 299 CG TRP 20 5.972 -21.175 22.767 1.00 74.12 ATOM 300 CD1 TRP 20 4.716 -20.666 22.939 1.00 23.13 ATOM 301 HD1 TRP 20 4.478 -19.611 22.931 1.00 24.14 ATOM 302 CD2 TRP 20 5.844 -22.600 22.845 1.00 3.23 ATOM 303 NE1 TRP 20 3.818 -21.687 23.128 1.00 53.15 ATOM 304 HE1 TRP 20 2.854 -21.577 23.278 1.00 62.30 ATOM 305 CE2 TRP 20 4.486 -22.885 23.073 1.00 32.24 ATOM 306 CE3 TRP 20 6.750 -23.663 22.744 1.00 54.51 ATOM 307 HE3 TRP 20 7.802 -23.488 22.567 1.00 2.41 ATOM 308 CZ2 TRP 20 4.013 -24.187 23.205 1.00 33.22 ATOM 309 HZ2 TRP 20 2.968 -24.401 23.379 1.00 12.12 ATOM 310 CZ3 TRP 20 6.278 -24.955 22.874 1.00 33.14 ATOM 311 HZ3 TRP 20 6.962 -25.790 22.799 1.00 74.13 ATOM 312 CH2 TRP 20 4.920 -25.207 23.100 1.00 21.52 ATOM 313 HH2 TRP 20 4.594 -26.231 23.197 1.00 11.34 ATOM 314 C TRP 20 7.517 -19.913 24.995 1.00 73.24 ATOM 315 O TRP 20 6.537 -19.788 25.732 1.00 31.14 ATOM 316 N LEU 21 8.623 -20.546 25.381 1.00 33.34 ATOM 317 HN LEU 21 9.355 -20.664 24.735 1.00 38.50 ATOM 318 CA LEU 21 8.774 -21.082 26.741 1.00 43.42 ATOM 319 HA LEU 21 7.936 -21.737 26.936 1.00 71.30 ATOM 320 CB LEU 21 10.076 -21.890 26.853 1.00 51.05 ATOM 321 HB1 LEU 21 10.164 -22.251 27.869 1.00 38.50 ATOM 322 HB2 LEU 21 10.906 -21.223 26.657 1.00 24.13 ATOM 323 CG LEU 21 10.192 -23.093 25.906 1.00 63.43 ATOM 324 HG LEU 21 10.131 -22.742 24.884 1.00 42.34 ATOM 325 CD1 LEU 21 11.539 -23.786 26.081 1.00 3.15 ATOM 326 HD11 LEU 21 12.334 -23.084 25.875 1.00 2.32 ATOM 327 HD12 LEU 21 11.609 -24.619 25.397 1.00 13.40 ATOM 328 HD13 LEU 21 11.633 -24.145 27.096 1.00 62.13 ATOM 329 CD2 LEU 21 9.045 -24.075 26.134 1.00 42.34 ATOM 330 HD21 LEU 21 8.104 -23.583 25.934 1.00 5.15 ATOM 331 HD22 LEU 21 9.060 -24.419 27.158 1.00 13.03 ATOM 332 HD23 LEU 21 9.156 -24.920 25.470 1.00 44.31 ATOM 333 C LEU 21 8.770 -19.951 27.783 1.00 10.15 ATOM 334 O LEU 21 8.251 -20.103 28.894 1.00 13.12 ATOM 335 N ILE 22 9.342 -18.812 27.405 1.00 54.20 ATOM 336 HN ILE 22 9.724 -18.751 26.503 1.00 38.50 ATOM 337 CA ILE 22 9.433 -17.650 28.293 1.00 41.25 ATOM 338 HA ILE 22 9.790 -17.997 29.254 1.00 3.12 ATOM 339 CB ILE 22 10.453 -16.624 27.745 1.00 45.52 ATOM 340 HB ILE 22 10.111 -16.293 26.773 1.00 32.25 ATOM 341 CG1 ILE 22 11.834 -17.288 27.589 1.00 21.40 ATOM 342 HG11 ILE 22 11.727 -18.191 27.004 1.00 38.50 ATOM 343 HG12 ILE 22 12.217 -17.546 28.566 1.00 73.34 ATOM 344 CG2 ILE 22 10.537 -15.404 28.660 1.00 32.30 ATOM 345 HG21 ILE 22 9.561 -14.949 28.743 1.00 25.22 ATOM 346 HG22 ILE 22 11.233 -14.687 28.247 1.00 52.32 ATOM 347 HG23 ILE 22 10.875 -15.710 29.640 1.00 30.13 ATOM 348 CD1 ILE 22 12.863 -16.414 26.905 1.00 32.34 ATOM 349 HD11 ILE 22 12.520 -16.162 25.912 1.00 43.34 ATOM 350 HD12 ILE 22 13.799 -16.948 26.836 1.00 60.55 ATOM 351 HD13 ILE 22 13.008 -15.508 27.476 1.00 2.24 ATOM 352 C ILE 22 8.065 -16.968 28.492 1.00 25.35 ATOM 353 O ILE 22 7.687 -16.638 29.617 1.00 64.05 ATOM 354 N THR 23 7.318 -16.769 27.402 1.00 43.23 ATOM 355 HN THR 23 7.662 -17.058 26.530 1.00 38.50 ATOM 356 CA THR 23 5.998 -16.113 27.475 1.00 11.15 ATOM 357 HA THR 23 6.136 -15.162 27.975 1.00 14.11 ATOM 358 CB THR 23 5.409 -15.827 26.066 1.00 22.32 ATOM 359 HB THR 23 6.127 -15.240 25.510 1.00 5.03 ATOM 360 OG1 THR 23 4.183 -15.082 26.168 1.00 42.43 ATOM 361 HG1 THR 23 3.773 -15.241 27.026 1.00 61.05 ATOM 362 CG2 THR 23 5.145 -17.117 25.297 1.00 62.25 ATOM 363 HG21 THR 23 4.752 -16.880 24.319 1.00 34.41 ATOM 364 HG22 THR 23 4.427 -17.719 25.836 1.00 30.13 ATOM 365 HG23 THR 23 6.068 -17.668 25.191 1.00 30.41 ATOM 366 C THR 23 4.986 -16.940 28.287 1.00 60.24 ATOM 367 O THR 23 4.000 -16.404 28.797 1.00 64.44 ATOM 368 N LEU 24 5.230 -18.247 28.398 1.00 71.24 ATOM 369 HN LEU 24 5.988 -18.634 27.908 1.00 38.50 ATOM 370 CA LEU 24 4.385 -19.129 29.216 1.00 10.40 ATOM 371 HA LEU 24 3.383 -18.723 29.212 1.00 51.33 ATOM 372 CB LEU 24 4.350 -20.539 28.608 1.00 52.34 ATOM 373 HB1 LEU 24 3.844 -21.197 29.303 1.00 38.50 ATOM 374 HB2 LEU 24 5.369 -20.883 28.493 1.00 42.13 ATOM 375 CG LEU 24 3.644 -20.646 27.245 1.00 54.53 ATOM 376 HG LEU 24 4.109 -19.958 26.553 1.00 41.34 ATOM 377 CD1 LEU 24 3.780 -22.052 26.670 1.00 31.11 ATOM 378 HD11 LEU 24 4.826 -22.287 26.532 1.00 32.02 ATOM 379 HD12 LEU 24 3.273 -22.104 25.717 1.00 60.34 ATOM 380 HD13 LEU 24 3.338 -22.767 27.350 1.00 44.31 ATOM 381 CD2 LEU 24 2.171 -20.265 27.371 1.00 2.12 ATOM 382 HD21 LEU 24 1.699 -20.323 26.401 1.00 32.35 ATOM 383 HD22 LEU 24 2.090 -19.256 27.751 1.00 71.20 ATOM 384 HD23 LEU 24 1.679 -20.946 28.051 1.00 4.22 ATOM 385 C LEU 24 4.878 -19.191 30.674 1.00 42.42 ATOM 386 O LEU 24 4.259 -19.836 31.520 1.00 12.51 ATOM 387 N GLY 25 6.003 -18.530 30.953 1.00 44.43 ATOM 388 HN GLY 25 6.482 -18.075 30.228 1.00 38.50 ATOM 389 CA GLY 25 6.528 -18.460 32.318 1.00 62.44 ATOM 390 HA1 GLY 25 5.713 -18.232 32.991 1.00 38.50 ATOM 391 HA2 GLY 25 7.245 -17.653 32.365 1.00 54.34 ATOM 392 C GLY 25 7.214 -19.743 32.793 1.00 15.23 ATOM 393 O GLY 25 7.689 -19.811 33.931 1.00 10.42 ATOM 394 N VAL 26 7.283 -20.755 31.927 1.00 51.15 ATOM 395 HN VAL 26 6.928 -20.631 31.022 1.00 38.50 ATOM 396 CA VAL 26 7.885 -22.044 32.298 1.00 51.21 ATOM 397 HA VAL 26 7.595 -22.258 33.319 1.00 55.12 ATOM 398 CB VAL 26 7.368 -23.202 31.403 1.00 53.52 ATOM 399 HB VAL 26 7.827 -24.122 31.744 1.00 74.25 ATOM 400 CG1 VAL 26 5.856 -23.352 31.543 1.00 64.31 ATOM 401 HG11 VAL 26 5.371 -22.436 31.239 1.00 33.42 ATOM 402 HG12 VAL 26 5.607 -23.566 32.573 1.00 11.52 ATOM 403 HG13 VAL 26 5.514 -24.164 30.917 1.00 51.24 ATOM 404 CG2 VAL 26 7.758 -22.989 29.940 1.00 51.31 ATOM 405 HG21 VAL 26 7.388 -23.811 29.343 1.00 44.21 ATOM 406 HG22 VAL 26 8.834 -22.941 29.855 1.00 74.35 ATOM 407 HG23 VAL 26 7.328 -22.064 29.581 1.00 35.11 ATOM 408 C VAL 26 9.419 -21.993 32.237 1.00 54.54 ATOM 409 O VAL 26 10.103 -22.749 32.926 1.00 22.24 ATOM 410 N LEU 27 9.951 -21.089 31.420 1.00 72.11 ATOM 411 HN LEU 27 9.356 -20.534 30.873 1.00 38.50 ATOM 412 CA LEU 27 11.400 -20.894 31.312 1.00 74.41 ATOM 413 HA LEU 27 11.875 -21.462 32.101 1.00 13.21 ATOM 414 CB LEU 27 11.904 -21.406 29.955 1.00 41.51 ATOM 415 HB1 LEU 27 11.420 -20.832 29.177 1.00 38.50 ATOM 416 HB2 LEU 27 11.604 -22.440 29.853 1.00 54.40 ATOM 417 CG LEU 27 13.427 -21.321 29.739 1.00 3.11 ATOM 418 HG LEU 27 13.744 -20.297 29.874 1.00 1.15 ATOM 419 CD1 LEU 27 14.169 -22.174 30.767 1.00 65.01 ATOM 420 HD11 LEU 27 13.848 -23.204 30.686 1.00 52.54 ATOM 421 HD12 LEU 27 13.953 -21.809 31.760 1.00 32.34 ATOM 422 HD13 LEU 27 15.233 -22.114 30.588 1.00 13.30 ATOM 423 CD2 LEU 27 13.791 -21.741 28.315 1.00 13.23 ATOM 424 HD21 LEU 27 14.855 -21.627 28.165 1.00 25.13 ATOM 425 HD22 LEU 27 13.261 -21.118 27.610 1.00 33.11 ATOM 426 HD23 LEU 27 13.514 -22.774 28.159 1.00 55.52 ATOM 427 C LEU 27 11.759 -19.412 31.487 1.00 35.34 ATOM 428 O LEU 27 11.088 -18.534 30.944 1.00 65.24 ATOM 429 N GLU 28 12.807 -19.139 32.258 1.00 71.23 ATOM 430 HN GLU 28 13.292 -19.881 32.681 1.00 38.50 ATOM 431 CA GLU 28 13.254 -17.758 32.495 1.00 31.42 ATOM 432 HA GLU 28 12.386 -17.173 32.767 1.00 32.21 ATOM 433 CB GLU 28 14.262 -17.713 33.652 1.00 24.44 ATOM 434 HB1 GLU 28 13.793 -18.121 34.537 1.00 38.50 ATOM 435 HB2 GLU 28 14.530 -16.683 33.842 1.00 34.25 ATOM 436 CG GLU 28 15.543 -18.501 33.385 1.00 35.21 ATOM 437 HG1 GLU 28 15.973 -18.159 32.453 1.00 38.50 ATOM 438 HG2 GLU 28 15.293 -19.549 33.297 1.00 25.24 ATOM 439 CD GLU 28 16.575 -18.339 34.488 1.00 61.33 ATOM 440 OE1 GLU 28 16.442 -19.004 35.538 1.00 71.34 ATOM 441 OE2 GLU 28 17.528 -17.551 34.311 1.00 73.31 ATOM 442 C GLU 28 13.891 -17.140 31.237 1.00 40.20 ATOM 443 O GLU 28 14.462 -17.845 30.402 1.00 41.13 ATOM 444 N SER 29 13.798 -15.818 31.116 1.00 62.12 ATOM 445 HN SER 29 13.308 -15.311 31.800 1.00 38.50 ATOM 446 CA SER 29 14.406 -15.097 29.988 1.00 43.42 ATOM 447 HA SER 29 14.240 -15.682 29.095 1.00 40.54 ATOM 448 CB SER 29 13.745 -13.719 29.808 1.00 10.31 ATOM 449 HB1 SER 29 13.976 -13.095 30.659 1.00 38.50 ATOM 450 HB2 SER 29 12.674 -13.843 29.736 1.00 23.01 ATOM 451 OG SER 29 14.204 -13.070 28.627 1.00 22.42 ATOM 452 HG SER 29 14.777 -12.332 28.868 1.00 21.32 ATOM 453 C SER 29 15.922 -14.933 30.196 1.00 53.52 ATOM 454 O SER 29 16.384 -14.720 31.322 1.00 40.54 ATOM 455 N PRO 30 16.723 -15.036 29.117 1.00 52.13 ATOM 456 CA PRO 30 18.192 -14.942 29.207 1.00 22.03 ATOM 457 HA PRO 30 18.581 -15.626 29.949 1.00 3.20 ATOM 458 CB PRO 30 18.652 -15.387 27.813 1.00 23.21 ATOM 459 HB1 PRO 30 18.832 -16.454 27.811 1.00 38.50 ATOM 460 HB2 PRO 30 19.560 -14.865 27.540 1.00 31.50 ATOM 461 CG PRO 30 17.517 -15.026 26.916 1.00 2.31 ATOM 462 HG1 PRO 30 17.520 -15.664 26.043 1.00 38.50 ATOM 463 HG2 PRO 30 17.593 -13.987 26.623 1.00 43.35 ATOM 464 CD PRO 30 16.269 -15.254 27.727 1.00 21.14 ATOM 465 HD1 PRO 30 15.909 -16.265 27.594 1.00 38.50 ATOM 466 HD2 PRO 30 15.502 -14.542 27.454 1.00 52.12 ATOM 467 C PRO 30 18.699 -13.521 29.513 1.00 43.13 ATOM 468 O PRO 30 17.927 -12.561 29.547 1.00 21.41 ATOM 469 N LYS 31 20.008 -13.399 29.730 1.00 20.12 ATOM 470 HN LYS 31 20.572 -14.201 29.687 1.00 38.50 ATOM 471 CA LYS 31 20.633 -12.103 30.021 1.00 50.14 ATOM 472 HA LYS 31 19.905 -11.497 30.545 1.00 22.23 ATOM 473 CB LYS 31 21.865 -12.289 30.929 1.00 2.51 ATOM 474 HB1 LYS 31 22.454 -11.381 30.908 1.00 38.50 ATOM 475 HB2 LYS 31 22.465 -13.099 30.538 1.00 62.50 ATOM 476 CG LYS 31 21.533 -12.606 32.391 1.00 13.42 ATOM 477 HG1 LYS 31 20.882 -11.829 32.773 1.00 38.50 ATOM 478 HG2 LYS 31 22.449 -12.610 32.963 1.00 52.42 ATOM 479 CD LYS 31 20.840 -13.958 32.570 1.00 10.43 ATOM 480 HD1 LYS 31 19.977 -13.994 31.919 1.00 38.50 ATOM 481 HD2 LYS 31 20.514 -14.048 33.596 1.00 54.34 ATOM 482 CE LYS 31 21.756 -15.137 32.242 1.00 12.54 ATOM 483 HE1 LYS 31 22.067 -15.060 31.210 1.00 38.50 ATOM 484 HE2 LYS 31 21.204 -16.054 32.381 1.00 31.23 ATOM 485 NZ LYS 31 22.966 -15.171 33.109 1.00 13.21 ATOM 486 HZ1 LYS 31 23.586 -14.360 32.893 1.00 22.32 ATOM 487 HZ2 LYS 31 23.498 -16.050 32.947 1.00 22.20 ATOM 488 HZ3 LYS 31 22.693 -15.124 34.112 1.00 44.41 ATOM 489 C LYS 31 21.035 -11.372 28.729 1.00 73.11 ATOM 490 O LYS 31 21.059 -10.140 28.684 1.00 11.02 ATOM 491 N LYS 32 21.354 -12.138 27.683 1.00 2.53 ATOM 492 HN LYS 32 21.335 -13.112 27.789 1.00 38.50 ATOM 493 CA LYS 32 21.735 -11.571 26.380 1.00 24.24 ATOM 494 HA LYS 32 21.332 -10.569 26.323 1.00 41.35 ATOM 495 CB LYS 32 23.269 -11.498 26.254 1.00 72.44 ATOM 496 HB1 LYS 32 23.525 -11.293 25.222 1.00 38.50 ATOM 497 HB2 LYS 32 23.685 -12.456 26.530 1.00 11.22 ATOM 498 CG LYS 32 23.924 -10.427 27.126 1.00 75.44 ATOM 499 HG1 LYS 32 24.998 -10.483 27.002 1.00 38.50 ATOM 500 HG2 LYS 32 23.673 -10.617 28.161 1.00 70.43 ATOM 501 CD LYS 32 23.451 -9.021 26.752 1.00 74.12 ATOM 502 HD1 LYS 32 22.392 -8.943 26.960 1.00 38.50 ATOM 503 HD2 LYS 32 23.622 -8.864 25.697 1.00 72.45 ATOM 504 CE LYS 32 24.189 -7.940 27.534 1.00 35.10 ATOM 505 HE1 LYS 32 24.047 -8.113 28.592 1.00 38.50 ATOM 506 HE2 LYS 32 23.778 -6.976 27.271 1.00 53.01 ATOM 507 NZ LYS 32 25.645 -7.937 27.237 1.00 61.22 ATOM 508 HZ1 LYS 32 25.802 -7.873 26.210 1.00 71.41 ATOM 509 HZ2 LYS 32 26.087 -8.813 27.587 1.00 63.43 ATOM 510 HZ3 LYS 32 26.104 -7.127 27.696 1.00 40.13 ATOM 511 C LYS 32 21.156 -12.391 25.213 1.00 13.21 ATOM 512 O LYS 32 20.330 -13.286 25.407 1.00 2.32 ATOM 513 N THR 33 21.591 -12.064 23.997 1.00 21.02 ATOM 514 HN THR 33 22.222 -11.320 23.907 1.00 38.50 ATOM 515 CA THR 33 21.140 -12.759 22.785 1.00 61.30 ATOM 516 HA THR 33 20.059 -12.712 22.759 1.00 52.53 ATOM 517 CB THR 33 21.681 -12.057 21.514 1.00 74.32 ATOM 518 HB THR 33 22.762 -12.077 21.545 1.00 1.10 ATOM 519 OG1 THR 33 21.243 -10.690 21.483 1.00 11.33 ATOM 520 HG1 THR 33 21.902 -10.152 21.027 1.00 64.03 ATOM 521 CG2 THR 33 21.218 -12.765 20.246 1.00 61.03 ATOM 522 HG21 THR 33 20.138 -12.793 20.220 1.00 64.01 ATOM 523 HG22 THR 33 21.604 -13.775 20.232 1.00 53.24 ATOM 524 HG23 THR 33 21.583 -12.230 19.381 1.00 52.42 ATOM 525 C THR 33 21.575 -14.234 22.762 1.00 14.41 ATOM 526 O THR 33 22.764 -14.541 22.843 1.00 3.20 ATOM 527 N ILE 34 20.601 -15.141 22.653 1.00 10.42 ATOM 528 HN ILE 34 19.667 -14.836 22.654 1.00 38.50 ATOM 529 CA ILE 34 20.883 -16.582 22.553 1.00 12.45 ATOM 530 HA ILE 34 21.455 -16.866 23.426 1.00 11.42 ATOM 531 CB ILE 34 19.571 -17.416 22.539 1.00 63.51 ATOM 532 HB ILE 34 18.985 -17.100 21.686 1.00 1.04 ATOM 533 CG1 ILE 34 18.754 -17.170 23.821 1.00 53.23 ATOM 534 HG11 ILE 34 17.819 -17.709 23.755 1.00 38.50 ATOM 535 HG12 ILE 34 18.546 -16.114 23.910 1.00 43.54 ATOM 536 CG2 ILE 34 19.873 -18.907 22.373 1.00 74.31 ATOM 537 HG21 ILE 34 20.488 -19.246 23.193 1.00 23.15 ATOM 538 HG22 ILE 34 20.396 -19.070 21.441 1.00 74.40 ATOM 539 HG23 ILE 34 18.947 -19.466 22.365 1.00 34.40 ATOM 540 CD1 ILE 34 19.456 -17.611 25.092 1.00 45.34 ATOM 541 HD11 ILE 34 20.393 -17.083 25.189 1.00 41.23 ATOM 542 HD12 ILE 34 19.643 -18.674 25.052 1.00 5.23 ATOM 543 HD13 ILE 34 18.829 -17.389 25.943 1.00 22.34 ATOM 544 C ILE 34 21.705 -16.907 21.291 1.00 50.30 ATOM 545 O ILE 34 21.216 -16.765 20.164 1.00 61.33 ATOM 546 N SER 35 22.951 -17.342 21.489 1.00 31.12 ATOM 547 HN SER 35 23.273 -17.446 22.411 1.00 38.50 ATOM 548 CA SER 35 23.858 -17.670 20.375 1.00 63.05 ATOM 549 HA SER 35 23.745 -16.902 19.621 1.00 74.50 ATOM 550 CB SER 35 25.318 -17.676 20.855 1.00 11.21 ATOM 551 HB1 SER 35 25.586 -16.685 21.194 1.00 38.50 ATOM 552 HB2 SER 35 25.965 -17.960 20.038 1.00 11.01 ATOM 553 OG SER 35 25.511 -18.592 21.929 1.00 35.15 ATOM 554 HG SER 35 25.524 -19.498 21.584 1.00 31.33 ATOM 555 C SER 35 23.520 -19.030 19.746 1.00 44.31 ATOM 556 O SER 35 23.578 -19.194 18.528 1.00 14.44 ATOM 557 N ASP 36 23.175 -20.001 20.586 1.00 52.04 ATOM 558 HN ASP 36 23.164 -19.809 21.549 1.00 38.50 ATOM 559 CA ASP 36 22.807 -21.346 20.127 1.00 24.54 ATOM 560 HA ASP 36 22.749 -21.319 19.047 1.00 64.42 ATOM 561 CB ASP 36 23.890 -22.365 20.530 1.00 54.43 ATOM 562 HB1 ASP 36 24.696 -22.328 19.808 1.00 38.50 ATOM 563 HB2 ASP 36 23.465 -23.359 20.528 1.00 12.14 ATOM 564 CG ASP 36 24.467 -22.091 21.910 1.00 42.02 ATOM 565 OD1 ASP 36 23.855 -22.499 22.918 1.00 44.22 ATOM 566 OD2 ASP 36 25.536 -21.448 21.994 1.00 74.24 ATOM 567 C ASP 36 21.423 -21.758 20.671 1.00 63.53 ATOM 568 O ASP 36 21.303 -22.273 21.783 1.00 20.43 ATOM 569 N PRO 37 20.351 -21.524 19.887 1.00 35.43 ATOM 570 CA PRO 37 18.970 -21.805 20.323 1.00 33.13 ATOM 571 HA PRO 37 18.708 -21.207 21.186 1.00 34.02 ATOM 572 CB PRO 37 18.116 -21.364 19.121 1.00 54.10 ATOM 573 HB1 PRO 37 17.710 -20.379 19.307 1.00 38.50 ATOM 574 HB2 PRO 37 17.306 -22.065 18.970 1.00 23.11 ATOM 575 CG PRO 37 19.054 -21.352 17.959 1.00 4.31 ATOM 576 HG1 PRO 37 18.732 -20.623 17.230 1.00 38.50 ATOM 577 HG2 PRO 37 19.101 -22.336 17.510 1.00 11.21 ATOM 578 CD PRO 37 20.394 -20.970 18.521 1.00 4.25 ATOM 579 HD1 PRO 37 20.506 -19.895 18.544 1.00 38.50 ATOM 580 HD2 PRO 37 21.189 -21.423 17.943 1.00 60.13 ATOM 581 C PRO 37 18.731 -23.288 20.657 1.00 43.42 ATOM 582 O PRO 37 18.180 -23.616 21.708 1.00 60.35 ATOM 583 N GLU 38 19.160 -24.182 19.766 1.00 53.13 ATOM 584 HN GLU 38 19.617 -23.869 18.957 1.00 38.50 ATOM 585 CA GLU 38 18.972 -25.624 19.967 1.00 51.31 ATOM 586 HA GLU 38 17.924 -25.788 20.177 1.00 72.43 ATOM 587 CB GLU 38 19.344 -26.394 18.690 1.00 64.23 ATOM 588 HB1 GLU 38 19.264 -27.455 18.884 1.00 38.50 ATOM 589 HB2 GLU 38 20.367 -26.163 18.426 1.00 21.31 ATOM 590 CG GLU 38 18.457 -26.058 17.496 1.00 2.53 ATOM 591 HG1 GLU 38 18.530 -24.997 17.299 1.00 38.50 ATOM 592 HG2 GLU 38 17.433 -26.303 17.744 1.00 11.44 ATOM 593 CD GLU 38 18.846 -26.818 16.238 1.00 2.13 ATOM 594 OE1 GLU 38 19.434 -26.203 15.321 1.00 4.10 ATOM 595 OE2 GLU 38 18.575 -28.034 16.163 1.00 54.11 ATOM 596 C GLU 38 19.791 -26.135 21.164 1.00 64.24 ATOM 597 O GLU 38 19.301 -26.930 21.967 1.00 52.44 ATOM 598 N GLY 39 21.037 -25.671 21.281 1.00 54.11 ATOM 599 HN GLY 39 21.398 -25.087 20.579 1.00 38.50 ATOM 600 CA GLY 39 21.867 -26.024 22.430 1.00 20.14 ATOM 601 HA1 GLY 39 22.841 -25.573 22.308 1.00 38.50 ATOM 602 HA2 GLY 39 21.982 -27.098 22.461 1.00 32.25 ATOM 603 C GLY 39 21.268 -25.550 23.754 1.00 62.53 ATOM 604 O GLY 39 21.207 -26.305 24.729 1.00 3.13 ATOM 605 N PHE 40 20.822 -24.293 23.781 1.00 64.43 ATOM 606 HN PHE 40 20.959 -23.728 22.991 1.00 38.50 ATOM 607 CA PHE 40 20.147 -23.722 24.953 1.00 43.24 ATOM 608 HA PHE 40 20.846 -23.741 25.777 1.00 30.03 ATOM 609 CB PHE 40 19.755 -22.260 24.668 1.00 51.45 ATOM 610 HB1 PHE 40 19.154 -22.227 23.769 1.00 38.50 ATOM 611 HB2 PHE 40 20.653 -21.679 24.510 1.00 3.32 ATOM 612 CG PHE 40 18.972 -21.601 25.778 1.00 64.33 ATOM 613 CD1 PHE 40 19.600 -21.204 26.951 1.00 3.30 ATOM 614 HD1 PHE 40 20.660 -21.373 27.069 1.00 23.11 ATOM 615 CD2 PHE 40 17.608 -21.375 25.644 1.00 2.53 ATOM 616 HD2 PHE 40 17.107 -21.677 24.735 1.00 2.42 ATOM 617 CE1 PHE 40 18.883 -20.598 27.965 1.00 44.44 ATOM 618 HE1 PHE 40 19.382 -20.292 28.873 1.00 44.23 ATOM 619 CE2 PHE 40 16.889 -20.772 26.656 1.00 2.54 ATOM 620 HE2 PHE 40 15.829 -20.606 26.539 1.00 55.11 ATOM 621 CZ PHE 40 17.526 -20.384 27.817 1.00 70.13 ATOM 622 HZ PHE 40 16.965 -19.911 28.610 1.00 2.31 ATOM 623 C PHE 40 18.901 -24.539 25.342 1.00 75.22 ATOM 624 O PHE 40 18.685 -24.844 26.520 1.00 14.11 ATOM 625 N LEU 41 18.084 -24.887 24.349 1.00 71.42 ATOM 626 HN LEU 41 18.296 -24.597 23.436 1.00 38.50 ATOM 627 CA LEU 41 16.874 -25.684 24.585 1.00 64.54 ATOM 628 HA LEU 41 16.301 -25.181 25.352 1.00 73.10 ATOM 629 CB LEU 41 16.021 -25.763 23.311 1.00 33.14 ATOM 630 HB1 LEU 41 15.213 -26.460 23.487 1.00 38.50 ATOM 631 HB2 LEU 41 16.640 -26.155 22.514 1.00 65.44 ATOM 632 CG LEU 41 15.412 -24.432 22.841 1.00 71.51 ATOM 633 HG LEU 41 16.211 -23.726 22.663 1.00 62.12 ATOM 634 CD1 LEU 41 14.655 -24.616 21.528 1.00 24.21 ATOM 635 HD11 LEU 41 14.237 -23.669 21.218 1.00 51.15 ATOM 636 HD12 LEU 41 13.859 -25.332 21.666 1.00 71.25 ATOM 637 HD13 LEU 41 15.334 -24.974 20.767 1.00 13.31 ATOM 638 CD2 LEU 41 14.497 -23.847 23.916 1.00 71.41 ATOM 639 HD21 LEU 41 15.070 -23.647 24.809 1.00 73.44 ATOM 640 HD22 LEU 41 13.708 -24.550 24.145 1.00 44.04 ATOM 641 HD23 LEU 41 14.062 -22.925 23.557 1.00 32.20 ATOM 642 C LEU 41 17.208 -27.098 25.084 1.00 34.42 ATOM 643 O LEU 41 16.555 -27.612 25.984 1.00 2.21 ATOM 644 N GLN 42 18.228 -27.723 24.502 1.00 61.11 ATOM 645 HN GLN 42 18.708 -27.277 23.773 1.00 38.50 ATOM 646 CA GLN 42 18.647 -29.067 24.919 1.00 4.35 ATOM 647 HA GLN 42 17.795 -29.723 24.811 1.00 53.52 ATOM 648 CB GLN 42 19.783 -29.572 24.006 1.00 60.23 ATOM 649 HB1 GLN 42 20.664 -28.970 24.184 1.00 38.50 ATOM 650 HB2 GLN 42 19.478 -29.442 22.977 1.00 34.13 ATOM 651 CG GLN 42 20.160 -31.046 24.203 1.00 25.13 ATOM 652 HG1 GLN 42 20.660 -31.396 23.309 1.00 38.50 ATOM 653 HG2 GLN 42 19.254 -31.618 24.346 1.00 50.35 ATOM 654 CD GLN 42 21.078 -31.295 25.395 1.00 75.23 ATOM 655 OE1 GLN 42 21.894 -30.454 25.758 1.00 5.51 ATOM 656 NE2 GLN 42 20.950 -32.451 26.013 1.00 12.50 ATOM 657 HE21 GLN 42 20.280 -33.083 25.680 1.00 25.43 ATOM 658 HE22 GLN 42 21.530 -32.628 26.779 1.00 61.43 ATOM 659 C GLN 42 19.082 -29.074 26.395 1.00 15.11 ATOM 660 O GLN 42 18.638 -29.908 27.181 1.00 22.20 ATOM 661 N ALA 43 19.939 -28.125 26.765 1.00 65.13 ATOM 662 HN ALA 43 20.252 -27.479 26.093 1.00 38.50 ATOM 663 CA ALA 43 20.445 -28.027 28.140 1.00 71.50 ATOM 664 HA ALA 43 20.882 -28.983 28.398 1.00 1.52 ATOM 665 CB ALA 43 21.545 -26.976 28.214 1.00 43.11 ATOM 666 HB1 ALA 43 22.312 -27.204 27.487 1.00 74.13 ATOM 667 HB2 ALA 43 21.978 -26.974 29.204 1.00 72.35 ATOM 668 HB3 ALA 43 21.130 -26.001 28.002 1.00 42.11 ATOM 669 C ALA 43 19.332 -27.705 29.157 1.00 22.03 ATOM 670 O ALA 43 19.334 -28.219 30.277 1.00 20.00 ATOM 671 N SER 44 18.386 -26.852 28.763 1.00 24.21 ATOM 672 HN SER 44 18.414 -26.503 27.847 1.00 38.50 ATOM 673 CA SER 44 17.298 -26.420 29.660 1.00 1.54 ATOM 674 HA SER 44 17.723 -26.273 30.644 1.00 65.13 ATOM 675 CB SER 44 16.706 -25.087 29.177 1.00 5.43 ATOM 676 HB1 SER 44 17.477 -24.331 29.183 1.00 38.50 ATOM 677 HB2 SER 44 15.905 -24.786 29.838 1.00 1.03 ATOM 678 OG SER 44 16.190 -25.198 27.859 1.00 13.22 ATOM 679 HG SER 44 16.815 -24.809 27.236 1.00 24.23 ATOM 680 C SER 44 16.181 -27.474 29.761 1.00 72.40 ATOM 681 O SER 44 15.717 -27.802 30.854 1.00 73.04 ATOM 682 N LEU 45 15.748 -27.996 28.616 1.00 11.45 ATOM 683 HN LEU 45 16.155 -27.695 27.775 1.00 38.50 ATOM 684 CA LEU 45 14.668 -28.995 28.568 1.00 1.03 ATOM 685 HA LEU 45 13.898 -28.682 29.258 1.00 1.40 ATOM 686 CB LEU 45 14.069 -29.052 27.155 1.00 62.31 ATOM 687 HB1 LEU 45 13.264 -29.773 27.157 1.00 38.50 ATOM 688 HB2 LEU 45 14.838 -29.400 26.477 1.00 64.41 ATOM 689 CG LEU 45 13.521 -27.720 26.619 1.00 22.25 ATOM 690 HG LEU 45 14.325 -26.996 26.591 1.00 71.22 ATOM 691 CD1 LEU 45 13.001 -27.886 25.195 1.00 43.21 ATOM 692 HD11 LEU 45 13.810 -28.208 24.553 1.00 60.22 ATOM 693 HD12 LEU 45 12.617 -26.941 24.838 1.00 31.23 ATOM 694 HD13 LEU 45 12.213 -28.625 25.178 1.00 33.11 ATOM 695 CD2 LEU 45 12.430 -27.173 27.538 1.00 42.41 ATOM 696 HD21 LEU 45 11.633 -27.897 27.628 1.00 44.21 ATOM 697 HD22 LEU 45 12.037 -26.256 27.124 1.00 50.12 ATOM 698 HD23 LEU 45 12.848 -26.973 28.514 1.00 4.12 ATOM 699 C LEU 45 15.155 -30.395 28.981 1.00 45.10 ATOM 700 O LEU 45 14.346 -31.298 29.197 1.00 64.41 ATOM 701 N LYS 46 16.474 -30.553 29.089 1.00 24.01 ATOM 702 HN LYS 46 17.052 -29.783 28.903 1.00 38.50 ATOM 703 CA LYS 46 17.109 -31.832 29.456 1.00 14.32 ATOM 704 HA LYS 46 17.044 -32.490 28.602 1.00 72.20 ATOM 705 CB LYS 46 18.592 -31.584 29.775 1.00 63.21 ATOM 706 HB1 LYS 46 18.657 -30.898 30.610 1.00 38.50 ATOM 707 HB2 LYS 46 19.059 -31.126 28.915 1.00 61.13 ATOM 708 CG LYS 46 19.383 -32.839 30.129 1.00 54.22 ATOM 709 HG1 LYS 46 19.385 -33.503 29.276 1.00 38.50 ATOM 710 HG2 LYS 46 18.907 -33.330 30.967 1.00 63.14 ATOM 711 CD LYS 46 20.826 -32.504 30.502 1.00 55.13 ATOM 712 HD1 LYS 46 20.822 -31.811 31.332 1.00 38.50 ATOM 713 HD2 LYS 46 21.309 -32.044 29.652 1.00 35.41 ATOM 714 CE LYS 46 21.616 -33.746 30.901 1.00 72.52 ATOM 715 HE1 LYS 46 21.645 -34.427 30.061 1.00 38.50 ATOM 716 HE2 LYS 46 21.121 -34.224 31.733 1.00 52.05 ATOM 717 NZ LYS 46 23.008 -33.414 31.301 1.00 21.40 ATOM 718 HZ1 LYS 46 23.004 -32.746 32.101 1.00 72.34 ATOM 719 HZ2 LYS 46 23.516 -32.978 30.507 1.00 43.45 ATOM 720 HZ3 LYS 46 23.511 -34.277 31.589 1.00 63.32 ATOM 721 C LYS 46 16.429 -32.510 30.662 1.00 62.34 ATOM 722 O LYS 46 16.124 -33.705 30.630 1.00 55.41 ATOM 723 N ASP 47 16.191 -31.735 31.718 1.00 0.33 ATOM 724 HN ASP 47 16.422 -30.783 31.666 1.00 38.50 ATOM 725 CA ASP 47 15.609 -32.260 32.961 1.00 43.53 ATOM 726 HA ASP 47 16.208 -33.104 33.274 1.00 31.24 ATOM 727 CB ASP 47 15.667 -31.186 34.051 1.00 24.21 ATOM 728 HB1 ASP 47 15.301 -31.603 34.979 1.00 38.50 ATOM 729 HB2 ASP 47 15.039 -30.354 33.763 1.00 24.43 ATOM 730 CG ASP 47 17.076 -30.675 34.275 1.00 13.45 ATOM 731 OD1 ASP 47 17.456 -29.673 33.632 1.00 45.03 ATOM 732 OD2 ASP 47 17.813 -31.274 35.087 1.00 63.13 ATOM 733 C ASP 47 14.153 -32.730 32.778 1.00 44.12 ATOM 734 O ASP 47 13.607 -33.432 33.632 1.00 3.43 ATOM 735 N GLY 48 13.518 -32.322 31.681 1.00 45.14 ATOM 736 HN GLY 48 14.009 -31.794 31.015 1.00 38.50 ATOM 737 CA GLY 48 12.120 -32.672 31.440 1.00 31.15 ATOM 738 HA1 GLY 48 11.964 -33.705 31.721 1.00 38.50 ATOM 739 HA2 GLY 48 11.916 -32.566 30.385 1.00 45.32 ATOM 740 C GLY 48 11.134 -31.798 32.219 1.00 2.10 ATOM 741 O GLY 48 10.029 -31.533 31.748 1.00 61.03 ATOM 742 N VAL 49 11.546 -31.344 33.406 1.00 52.42 ATOM 743 HN VAL 49 12.444 -31.581 33.710 1.00 38.50 ATOM 744 CA VAL 49 10.698 -30.522 34.286 1.00 72.24 ATOM 745 HA VAL 49 9.917 -31.163 34.676 1.00 61.43 ATOM 746 CB VAL 49 11.509 -29.974 35.490 1.00 74.25 ATOM 747 HB VAL 49 12.260 -29.293 35.109 1.00 32.10 ATOM 748 CG1 VAL 49 10.607 -29.191 36.447 1.00 52.11 ATOM 749 HG11 VAL 49 9.824 -29.838 36.818 1.00 25.22 ATOM 750 HG12 VAL 49 10.165 -28.356 35.924 1.00 51.33 ATOM 751 HG13 VAL 49 11.192 -28.824 37.278 1.00 65.31 ATOM 752 CG2 VAL 49 12.229 -31.109 36.225 1.00 54.55 ATOM 753 HG21 VAL 49 12.916 -31.599 35.549 1.00 4.55 ATOM 754 HG22 VAL 49 11.504 -31.827 36.582 1.00 63.35 ATOM 755 HG23 VAL 49 12.779 -30.706 37.064 1.00 22.31 ATOM 756 C VAL 49 10.039 -29.341 33.542 1.00 64.10 ATOM 757 O VAL 49 8.831 -29.117 33.661 1.00 42.34 ATOM 758 N VAL 50 10.835 -28.585 32.780 1.00 21.04 ATOM 759 HN VAL 50 11.794 -28.783 32.749 1.00 38.50 ATOM 760 CA VAL 50 10.305 -27.459 31.995 1.00 71.31 ATOM 761 HA VAL 50 9.827 -26.778 32.687 1.00 14.30 ATOM 762 CB VAL 50 11.432 -26.684 31.257 1.00 54.41 ATOM 763 HB VAL 50 11.939 -27.373 30.592 1.00 74.31 ATOM 764 CG1 VAL 50 10.853 -25.546 30.410 1.00 75.24 ATOM 765 HG11 VAL 50 11.655 -25.022 29.908 1.00 53.42 ATOM 766 HG12 VAL 50 10.318 -24.855 31.047 1.00 44.52 ATOM 767 HG13 VAL 50 10.174 -25.952 29.674 1.00 64.20 ATOM 768 CG2 VAL 50 12.459 -26.140 32.253 1.00 12.13 ATOM 769 HG21 VAL 50 11.977 -25.448 32.931 1.00 10.43 ATOM 770 HG22 VAL 50 13.246 -25.626 31.718 1.00 24.52 ATOM 771 HG23 VAL 50 12.884 -26.957 32.818 1.00 73.11 ATOM 772 C VAL 50 9.254 -27.935 30.973 1.00 72.22 ATOM 773 O VAL 50 8.233 -27.278 30.775 1.00 53.13 ATOM 774 N LEU 51 9.505 -29.084 30.339 1.00 65.11 ATOM 775 HN LEU 51 10.346 -29.550 30.519 1.00 38.50 ATOM 776 CA LEU 51 8.551 -29.673 29.383 1.00 62.21 ATOM 777 HA LEU 51 8.348 -28.933 28.622 1.00 52.21 ATOM 778 CB LEU 51 9.149 -30.919 28.716 1.00 41.54 ATOM 779 HB1 LEU 51 8.365 -31.415 28.160 1.00 38.50 ATOM 780 HB2 LEU 51 9.487 -31.588 29.497 1.00 14.13 ATOM 781 CG LEU 51 10.324 -30.662 27.761 1.00 24.41 ATOM 782 HG LEU 51 11.121 -30.174 28.304 1.00 71.23 ATOM 783 CD1 LEU 51 10.868 -31.980 27.218 1.00 65.01 ATOM 784 HD11 LEU 51 11.683 -31.778 26.538 1.00 33.53 ATOM 785 HD12 LEU 51 10.085 -32.509 26.693 1.00 42.30 ATOM 786 HD13 LEU 51 11.226 -32.586 28.037 1.00 63.31 ATOM 787 CD2 LEU 51 9.898 -29.742 26.618 1.00 64.03 ATOM 788 HD21 LEU 51 10.743 -29.558 25.969 1.00 72.43 ATOM 789 HD22 LEU 51 9.547 -28.804 27.022 1.00 74.23 ATOM 790 HD23 LEU 51 9.104 -30.209 26.052 1.00 62.01 ATOM 791 C LEU 51 7.228 -30.049 30.070 1.00 41.32 ATOM 792 O LEU 51 6.146 -29.789 29.543 1.00 34.32 ATOM 793 N CYS 52 7.328 -30.668 31.245 1.00 73.24 ATOM 794 HN CYS 52 8.219 -30.887 31.592 1.00 38.50 ATOM 795 CA CYS 52 6.146 -31.041 32.030 1.00 51.03 ATOM 796 HA CYS 52 5.583 -31.767 31.457 1.00 22.11 ATOM 797 CB CYS 52 6.568 -31.679 33.361 1.00 41.54 ATOM 798 HB1 CYS 52 5.683 -31.999 33.897 1.00 38.50 ATOM 799 HB2 CYS 52 7.091 -30.945 33.954 1.00 11.12 ATOM 800 SG CYS 52 7.657 -33.115 33.182 1.00 21.23 ATOM 801 HG CYS 52 7.110 -33.933 32.294 1.00 13.31 ATOM 802 C CYS 52 5.256 -29.819 32.298 1.00 12.23 ATOM 803 O CYS 52 4.070 -29.813 31.965 1.00 61.20 ATOM 804 N ARG 53 5.850 -28.776 32.878 1.00 31.04 ATOM 805 HN ARG 53 6.802 -28.839 33.110 1.00 38.50 ATOM 806 CA ARG 53 5.123 -27.537 33.181 1.00 42.24 ATOM 807 HA ARG 53 4.254 -27.804 33.768 1.00 5.44 ATOM 808 CB ARG 53 6.003 -26.594 34.010 1.00 3.43 ATOM 809 HB1 ARG 53 5.448 -25.690 34.219 1.00 38.50 ATOM 810 HB2 ARG 53 6.885 -26.342 33.438 1.00 44.53 ATOM 811 CG ARG 53 6.444 -27.202 35.337 1.00 63.21 ATOM 812 HG1 ARG 53 7.050 -28.075 35.138 1.00 38.50 ATOM 813 HG2 ARG 53 5.566 -27.494 35.894 1.00 42.15 ATOM 814 CD ARG 53 7.251 -26.220 36.173 1.00 2.35 ATOM 815 HD1 ARG 53 6.656 -25.333 36.340 1.00 38.50 ATOM 816 HD2 ARG 53 8.147 -25.953 35.630 1.00 14.43 ATOM 817 NE ARG 53 7.632 -26.787 37.463 1.00 62.34 ATOM 818 HE ARG 53 7.443 -27.735 37.615 1.00 1.32 ATOM 819 CZ ARG 53 8.211 -26.115 38.418 1.00 20.35 ATOM 820 NH1 ARG 53 8.442 -24.846 38.291 1.00 3.32 ATOM 821 HH11 ARG 53 8.170 -24.371 37.456 1.00 3.53 ATOM 822 HH12 ARG 53 8.894 -24.342 39.027 1.00 21.22 ATOM 823 NH2 ARG 53 8.525 -26.714 39.516 1.00 52.32 ATOM 824 HH21 ARG 53 8.318 -27.685 39.628 1.00 61.34 ATOM 825 HH22 ARG 53 8.978 -26.209 40.245 1.00 13.32 ATOM 826 C ARG 53 4.645 -26.841 31.899 1.00 45.34 ATOM 827 O ARG 53 3.577 -26.224 31.877 1.00 71.44 ATOM 828 N LEU 54 5.440 -26.945 30.835 1.00 25.23 ATOM 829 HN LEU 54 6.323 -27.360 30.941 1.00 38.50 ATOM 830 CA LEU 54 5.039 -26.457 29.511 1.00 61.12 ATOM 831 HA LEU 54 4.934 -25.382 29.568 1.00 2.44 ATOM 832 CB LEU 54 6.120 -26.804 28.471 1.00 14.55 ATOM 833 HB1 LEU 54 6.342 -27.858 28.558 1.00 38.50 ATOM 834 HB2 LEU 54 7.016 -26.249 28.719 1.00 43.15 ATOM 835 CG LEU 54 5.763 -26.508 27.004 1.00 23.23 ATOM 836 HG LEU 54 4.843 -27.018 26.757 1.00 41.42 ATOM 837 CD1 LEU 54 5.536 -25.017 26.788 1.00 43.43 ATOM 838 HD11 LEU 54 6.441 -24.475 27.020 1.00 4.42 ATOM 839 HD12 LEU 54 4.738 -24.678 27.431 1.00 63.50 ATOM 840 HD13 LEU 54 5.265 -24.840 25.757 1.00 15.14 ATOM 841 CD2 LEU 54 6.853 -27.036 26.071 1.00 60.21 ATOM 842 HD21 LEU 54 6.575 -26.844 25.045 1.00 61.14 ATOM 843 HD22 LEU 54 6.969 -28.100 26.218 1.00 64.31 ATOM 844 HD23 LEU 54 7.789 -26.540 26.289 1.00 63.12 ATOM 845 C LEU 54 3.693 -27.069 29.098 1.00 64.44 ATOM 846 O LEU 54 2.761 -26.361 28.711 1.00 65.43 ATOM 847 N LEU 55 3.594 -28.392 29.209 1.00 23.11 ATOM 848 HN LEU 55 4.373 -28.906 29.518 1.00 38.50 ATOM 849 CA LEU 55 2.358 -29.102 28.881 1.00 62.21 ATOM 850 HA LEU 55 2.056 -28.790 27.891 1.00 71.32 ATOM 851 CB LEU 55 2.599 -30.618 28.869 1.00 42.30 ATOM 852 HB1 LEU 55 2.823 -30.937 29.879 1.00 38.50 ATOM 853 HB2 LEU 55 3.464 -30.816 28.249 1.00 52.02 ATOM 854 CG LEU 55 1.423 -31.463 28.344 1.00 14.21 ATOM 855 HG LEU 55 0.554 -31.276 28.961 1.00 44.12 ATOM 856 CD1 LEU 55 1.071 -31.067 26.909 1.00 13.41 ATOM 857 HD11 LEU 55 0.256 -31.682 26.553 1.00 43.25 ATOM 858 HD12 LEU 55 1.932 -31.207 26.272 1.00 21.11 ATOM 859 HD13 LEU 55 0.772 -30.029 26.885 1.00 5.23 ATOM 860 CD2 LEU 55 1.745 -32.954 28.428 1.00 14.11 ATOM 861 HD21 LEU 55 0.903 -33.524 28.062 1.00 71.33 ATOM 862 HD22 LEU 55 1.942 -33.223 29.454 1.00 51.31 ATOM 863 HD23 LEU 55 2.616 -33.172 27.825 1.00 72.33 ATOM 864 C LEU 55 1.234 -28.745 29.868 1.00 51.54 ATOM 865 O LEU 55 0.075 -28.650 29.482 1.00 64.32 ATOM 866 N GLU 56 1.582 -28.539 31.140 1.00 33.13 ATOM 867 HN GLU 56 2.518 -28.674 31.406 1.00 38.50 ATOM 868 CA GLU 56 0.598 -28.129 32.158 1.00 21.33 ATOM 869 HA GLU 56 -0.201 -28.858 32.148 1.00 33.21 ATOM 870 CB GLU 56 1.238 -28.116 33.555 1.00 14.01 ATOM 871 HB1 GLU 56 0.524 -27.716 34.263 1.00 38.50 ATOM 872 HB2 GLU 56 2.105 -27.472 33.533 1.00 13.33 ATOM 873 CG GLU 56 1.679 -29.492 34.049 1.00 61.03 ATOM 874 HG1 GLU 56 2.425 -29.880 33.368 1.00 38.50 ATOM 875 HG2 GLU 56 0.823 -30.153 34.049 1.00 54.34 ATOM 876 CD GLU 56 2.270 -29.458 35.451 1.00 62.11 ATOM 877 OE1 GLU 56 3.497 -29.266 35.584 1.00 14.05 ATOM 878 OE2 GLU 56 1.507 -29.613 36.430 1.00 70.42 ATOM 879 C GLU 56 -0.001 -26.744 31.847 1.00 5.11 ATOM 880 O GLU 56 -1.133 -26.444 32.238 1.00 22.00 ATOM 881 N ARG 57 0.769 -25.900 31.161 1.00 74.13 ATOM 882 HN ARG 57 1.686 -26.170 30.942 1.00 38.50 ATOM 883 CA ARG 57 0.292 -24.577 30.736 1.00 61.52 ATOM 884 HA ARG 57 -0.236 -24.133 31.570 1.00 74.31 ATOM 885 CB ARG 57 1.481 -23.676 30.368 1.00 54.31 ATOM 886 HB1 ARG 57 1.109 -22.793 29.865 1.00 38.50 ATOM 887 HB2 ARG 57 2.127 -24.215 29.690 1.00 50.31 ATOM 888 CG ARG 57 2.317 -23.225 31.564 1.00 74.33 ATOM 889 HG1 ARG 57 3.134 -22.612 31.206 1.00 38.50 ATOM 890 HG2 ARG 57 2.714 -24.096 32.064 1.00 34.15 ATOM 891 CD ARG 57 1.491 -22.417 32.559 1.00 74.43 ATOM 892 HD1 ARG 57 2.153 -22.011 33.312 1.00 38.50 ATOM 893 HD2 ARG 57 0.772 -23.072 33.030 1.00 24.43 ATOM 894 NE ARG 57 0.775 -21.319 31.911 1.00 22.14 ATOM 895 HE ARG 57 0.389 -21.491 31.029 1.00 22.52 ATOM 896 CZ ARG 57 0.600 -20.140 32.435 1.00 0.23 ATOM 897 NH1 ARG 57 1.106 -19.848 33.593 1.00 43.20 ATOM 898 HH11 ARG 57 1.635 -20.527 34.088 1.00 41.41 ATOM 899 HH12 ARG 57 0.964 -18.942 33.984 1.00 53.24 ATOM 900 NH2 ARG 57 -0.082 -19.251 31.791 1.00 61.33 ATOM 901 HH21 ARG 57 -0.467 -19.474 30.897 1.00 64.05 ATOM 902 HH22 ARG 57 -0.226 -18.347 32.189 1.00 34.43 ATOM 903 C ARG 57 -0.671 -24.674 29.542 1.00 32.21 ATOM 904 O ARG 57 -1.595 -23.870 29.410 1.00 32.41 ATOM 905 N LEU 58 -0.436 -25.650 28.670 1.00 12.03 ATOM 906 HN LEU 58 0.324 -26.247 28.824 1.00 38.50 ATOM 907 CA LEU 58 -1.277 -25.857 27.483 1.00 32.33 ATOM 908 HA LEU 58 -1.646 -24.892 27.161 1.00 45.41 ATOM 909 CB LEU 58 -0.431 -26.466 26.356 1.00 30.12 ATOM 910 HB1 LEU 58 -1.039 -26.516 25.462 1.00 38.50 ATOM 911 HB2 LEU 58 -0.161 -27.474 26.642 1.00 54.12 ATOM 912 CG LEU 58 0.859 -25.695 26.019 1.00 41.23 ATOM 913 HG LEU 58 1.485 -25.658 26.900 1.00 32.42 ATOM 914 CD1 LEU 58 1.646 -26.407 24.926 1.00 72.24 ATOM 915 HD11 LEU 58 2.559 -25.864 24.726 1.00 74.12 ATOM 916 HD12 LEU 58 1.052 -26.454 24.024 1.00 24.32 ATOM 917 HD13 LEU 58 1.888 -27.408 25.249 1.00 31.10 ATOM 918 CD2 LEU 58 0.545 -24.258 25.607 1.00 33.31 ATOM 919 HD21 LEU 58 1.464 -23.741 25.374 1.00 31.23 ATOM 920 HD22 LEU 58 0.045 -23.751 26.420 1.00 73.25 ATOM 921 HD23 LEU 58 -0.097 -24.261 24.737 1.00 1.12 ATOM 922 C LEU 58 -2.476 -26.765 27.806 1.00 4.11 ATOM 923 O LEU 58 -3.632 -26.383 27.628 1.00 62.23 ATOM 924 N LEU 59 -2.180 -27.974 28.273 1.00 51.32 ATOM 925 HN LEU 59 -1.245 -28.243 28.316 1.00 38.50 ATOM 926 CA LEU 59 -3.202 -28.920 28.729 1.00 73.10 ATOM 927 HA LEU 59 -4.165 -28.566 28.386 1.00 42.34 ATOM 928 CB LEU 59 -2.942 -30.310 28.129 1.00 73.21 ATOM 929 HB1 LEU 59 -3.712 -30.982 28.485 1.00 38.50 ATOM 930 HB2 LEU 59 -1.987 -30.663 28.493 1.00 42.11 ATOM 931 CG LEU 59 -2.925 -30.374 26.590 1.00 42.20 ATOM 932 HG LEU 59 -2.137 -29.730 26.224 1.00 20.01 ATOM 933 CD1 LEU 59 -2.626 -31.793 26.109 1.00 63.43 ATOM 934 HD11 LEU 59 -3.390 -32.467 26.468 1.00 14.13 ATOM 935 HD12 LEU 59 -1.664 -32.107 26.487 1.00 10.40 ATOM 936 HD13 LEU 59 -2.609 -31.811 25.028 1.00 50.11 ATOM 937 CD2 LEU 59 -4.249 -29.873 26.010 1.00 63.21 ATOM 938 HD21 LEU 59 -5.062 -30.479 26.386 1.00 74.31 ATOM 939 HD22 LEU 59 -4.218 -29.942 24.933 1.00 4.35 ATOM 940 HD23 LEU 59 -4.403 -28.844 26.299 1.00 74.42 ATOM 941 C LEU 59 -3.213 -28.991 30.273 1.00 71.00 ATOM 942 O LEU 59 -2.411 -29.703 30.885 1.00 34.21 ATOM 943 N PRO 60 -4.117 -28.227 30.920 1.00 1.03 ATOM 944 CA PRO 60 -4.178 -28.108 32.395 1.00 35.44 ATOM 945 HA PRO 60 -3.363 -27.501 32.766 1.00 22.11 ATOM 946 CB PRO 60 -5.500 -27.364 32.626 1.00 12.34 ATOM 947 HB1 PRO 60 -5.415 -26.729 33.496 1.00 38.50 ATOM 948 HB2 PRO 60 -6.301 -28.077 32.772 1.00 70.20 ATOM 949 CG PRO 60 -5.703 -26.563 31.385 1.00 5.40 ATOM 950 HG1 PRO 60 -5.167 -25.627 31.459 1.00 38.50 ATOM 951 HG2 PRO 60 -6.757 -26.380 31.232 1.00 50.44 ATOM 952 CD PRO 60 -5.146 -27.397 30.261 1.00 11.14 ATOM 953 HD1 PRO 60 -4.702 -26.763 29.507 1.00 38.50 ATOM 954 HD2 PRO 60 -5.917 -28.016 29.826 1.00 65.45 ATOM 955 C PRO 60 -4.184 -29.450 33.158 1.00 23.04 ATOM 956 O PRO 60 -5.104 -30.261 33.018 1.00 71.15 ATOM 957 N GLY 61 -3.139 -29.676 33.959 1.00 23.13 ATOM 958 HN GLY 61 -2.378 -29.061 33.928 1.00 38.50 ATOM 959 CA GLY 61 -3.106 -30.813 34.879 1.00 44.55 ATOM 960 HA1 GLY 61 -4.018 -30.809 35.460 1.00 38.50 ATOM 961 HA2 GLY 61 -2.274 -30.679 35.553 1.00 55.15 ATOM 962 C GLY 61 -2.959 -32.181 34.210 1.00 51.54 ATOM 963 O GLY 61 -3.229 -33.206 34.837 1.00 63.55 ATOM 964 N THR 62 -2.537 -32.209 32.946 1.00 53.03 ATOM 965 HN THR 62 -2.387 -31.362 32.471 1.00 38.50 ATOM 966 CA THR 62 -2.317 -33.483 32.237 1.00 21.34 ATOM 967 HA THR 62 -3.207 -34.085 32.359 1.00 60.31 ATOM 968 CB THR 62 -2.090 -33.259 30.721 1.00 71.31 ATOM 969 HB THR 62 -1.168 -32.708 30.585 1.00 75.10 ATOM 970 OG1 THR 62 -3.171 -32.495 30.172 1.00 31.32 ATOM 971 HG1 THR 62 -4.009 -32.815 30.522 1.00 65.34 ATOM 972 CG2 THR 62 -1.982 -34.583 29.968 1.00 40.13 ATOM 973 HG21 THR 62 -1.818 -34.389 28.917 1.00 11.40 ATOM 974 HG22 THR 62 -2.897 -35.145 30.090 1.00 72.34 ATOM 975 HG23 THR 62 -1.154 -35.157 30.360 1.00 62.30 ATOM 976 C THR 62 -1.118 -34.253 32.816 1.00 54.05 ATOM 977 O THR 62 -1.081 -35.485 32.790 1.00 54.11 ATOM 978 N ILE 63 -0.135 -33.520 33.337 1.00 72.51 ATOM 979 HN ILE 63 -0.203 -32.545 33.307 1.00 38.50 ATOM 980 CA ILE 63 1.044 -34.134 33.958 1.00 2.21 ATOM 981 HA ILE 63 1.333 -34.984 33.352 1.00 2.44 ATOM 982 CB ILE 63 2.238 -33.145 34.001 1.00 10.21 ATOM 983 HB ILE 63 1.923 -32.265 34.545 1.00 32.04 ATOM 984 CG1 ILE 63 2.641 -32.731 32.574 1.00 42.31 ATOM 985 HG11 ILE 63 3.437 -32.003 32.627 1.00 38.50 ATOM 986 HG12 ILE 63 1.789 -32.285 32.080 1.00 20.20 ATOM 987 CG2 ILE 63 3.428 -33.759 34.745 1.00 64.31 ATOM 988 HG21 ILE 63 3.143 -33.977 35.765 1.00 13.01 ATOM 989 HG22 ILE 63 4.253 -33.062 34.747 1.00 63.41 ATOM 990 HG23 ILE 63 3.731 -34.674 34.254 1.00 75.21 ATOM 991 CD1 ILE 63 3.120 -33.882 31.713 1.00 42.02 ATOM 992 HD11 ILE 63 3.385 -33.513 30.734 1.00 54.24 ATOM 993 HD12 ILE 63 2.331 -34.615 31.619 1.00 24.34 ATOM 994 HD13 ILE 63 3.985 -34.340 32.171 1.00 23.30 ATOM 995 C ILE 63 0.732 -34.629 35.380 1.00 22.25 ATOM 996 O ILE 63 0.674 -33.843 36.329 1.00 34.35 ATOM 997 N GLU 64 0.509 -35.935 35.510 1.00 73.23 ATOM 998 HN GLU 64 0.524 -36.497 34.708 1.00 38.50 ATOM 999 CA GLU 64 0.213 -36.557 36.807 1.00 72.31 ATOM 1000 HA GLU 64 -0.581 -35.989 37.272 1.00 4.21 ATOM 1001 CB GLU 64 -0.276 -37.998 36.592 1.00 74.13 ATOM 1002 HB1 GLU 64 0.419 -38.507 35.938 1.00 38.50 ATOM 1003 HB2 GLU 64 -1.246 -37.969 36.114 1.00 74.44 ATOM 1004 CG GLU 64 -0.402 -38.810 37.879 1.00 75.22 ATOM 1005 HG1 GLU 64 -1.104 -38.312 38.535 1.00 38.50 ATOM 1006 HG2 GLU 64 0.566 -38.851 38.360 1.00 31.13 ATOM 1007 CD GLU 64 -0.879 -40.231 37.639 1.00 1.12 ATOM 1008 OE1 GLU 64 -0.157 -40.999 36.972 1.00 73.22 ATOM 1009 OE2 GLU 64 -1.974 -40.587 38.126 1.00 33.20 ATOM 1010 C GLU 64 1.432 -36.562 37.746 1.00 25.44 ATOM 1011 O GLU 64 1.324 -36.217 38.927 1.00 21.45 ATOM 1012 N LYS 65 2.589 -36.956 37.217 1.00 33.31 ATOM 1013 HN LYS 65 2.640 -37.118 36.252 1.00 38.50 ATOM 1014 CA LYS 65 3.795 -37.150 38.036 1.00 11.15 ATOM 1015 HA LYS 65 3.618 -36.707 39.007 1.00 60.24 ATOM 1016 CB LYS 65 4.045 -38.657 38.215 1.00 55.14 ATOM 1017 HB1 LYS 65 4.136 -39.110 37.236 1.00 38.50 ATOM 1018 HB2 LYS 65 3.193 -39.089 38.720 1.00 62.30 ATOM 1019 CG LYS 65 5.299 -39.001 39.019 1.00 32.51 ATOM 1020 HG1 LYS 65 5.236 -38.517 39.986 1.00 38.50 ATOM 1021 HG2 LYS 65 6.167 -38.630 38.492 1.00 2.02 ATOM 1022 CD LYS 65 5.461 -40.512 39.231 1.00 1.33 ATOM 1023 HD1 LYS 65 4.547 -40.900 39.664 1.00 38.50 ATOM 1024 HD2 LYS 65 6.276 -40.679 39.921 1.00 55.43 ATOM 1025 CE LYS 65 5.756 -41.274 37.934 1.00 12.52 ATOM 1026 HE1 LYS 65 6.052 -42.282 38.187 1.00 38.50 ATOM 1027 HE2 LYS 65 6.571 -40.783 37.422 1.00 15.43 ATOM 1028 NZ LYS 65 4.583 -41.331 37.019 1.00 71.55 ATOM 1029 HZ1 LYS 65 4.726 -42.068 36.301 1.00 33.51 ATOM 1030 HZ2 LYS 65 4.465 -40.420 36.531 1.00 33.12 ATOM 1031 HZ3 LYS 65 3.716 -41.545 37.553 1.00 1.40 ATOM 1032 C LYS 65 5.028 -36.483 37.406 1.00 52.14 ATOM 1033 O LYS 65 5.213 -36.518 36.192 1.00 50.12 ATOM 1034 N VAL 66 5.867 -35.875 38.246 1.00 15.34 ATOM 1035 HN VAL 66 5.639 -35.835 39.199 1.00 38.50 ATOM 1036 CA VAL 66 7.116 -35.257 37.786 1.00 32.10 ATOM 1037 HA VAL 66 7.490 -35.846 36.958 1.00 20.14 ATOM 1038 CB VAL 66 6.882 -33.807 37.286 1.00 5.23 ATOM 1039 HB VAL 66 6.081 -33.829 36.559 1.00 71.24 ATOM 1040 CG1 VAL 66 6.445 -32.896 38.434 1.00 52.25 ATOM 1041 HG11 VAL 66 7.227 -32.853 39.182 1.00 54.52 ATOM 1042 HG12 VAL 66 5.543 -33.287 38.883 1.00 51.52 ATOM 1043 HG13 VAL 66 6.255 -31.903 38.056 1.00 32.44 ATOM 1044 CG2 VAL 66 8.134 -33.259 36.593 1.00 71.02 ATOM 1045 HG21 VAL 66 8.384 -33.887 35.749 1.00 70.21 ATOM 1046 HG22 VAL 66 8.961 -33.251 37.289 1.00 52.43 ATOM 1047 HG23 VAL 66 7.947 -32.253 36.246 1.00 32.45 ATOM 1048 C VAL 66 8.176 -35.244 38.902 1.00 12.03 ATOM 1049 O VAL 66 7.851 -35.098 40.084 1.00 50.01 ATOM 1050 N TYR 67 9.436 -35.415 38.520 1.00 33.30 ATOM 1051 HN TYR 67 9.624 -35.585 37.576 1.00 38.50 ATOM 1052 CA TYR 67 10.553 -35.360 39.465 1.00 71.25 ATOM 1053 HA TYR 67 10.148 -35.371 40.468 1.00 64.11 ATOM 1054 CB TYR 67 11.467 -36.581 39.281 1.00 42.12 ATOM 1055 HB1 TYR 67 12.196 -36.601 40.079 1.00 38.50 ATOM 1056 HB2 TYR 67 11.982 -36.499 38.333 1.00 4.04 ATOM 1057 CG TYR 67 10.722 -37.903 39.297 1.00 3.13 ATOM 1058 CD1 TYR 67 10.629 -38.685 38.150 1.00 22.44 ATOM 1059 HD1 TYR 67 11.097 -38.338 37.238 1.00 24.21 ATOM 1060 CD2 TYR 67 10.112 -38.369 40.457 1.00 13.13 ATOM 1061 HD2 TYR 67 10.170 -37.773 41.358 1.00 44.43 ATOM 1062 CE1 TYR 67 9.950 -39.885 38.158 1.00 13.42 ATOM 1063 HE1 TYR 67 9.891 -40.476 37.256 1.00 51.24 ATOM 1064 CE2 TYR 67 9.429 -39.571 40.471 1.00 15.50 ATOM 1065 HE2 TYR 67 8.964 -39.915 41.381 1.00 50.21 ATOM 1066 CZ TYR 67 9.356 -40.326 39.320 1.00 22.23 ATOM 1067 OH TYR 67 8.682 -41.526 39.328 1.00 41.44 ATOM 1068 HH TYR 67 9.213 -42.187 38.864 1.00 33.12 ATOM 1069 C TYR 67 11.359 -34.065 39.269 1.00 41.04 ATOM 1070 O TYR 67 12.177 -33.969 38.350 1.00 11.11 ATOM 1071 N PRO 68 11.132 -33.042 40.124 1.00 20.32 ATOM 1072 CA PRO 68 11.820 -31.740 40.011 1.00 75.23 ATOM 1073 HA PRO 68 11.576 -31.254 39.076 1.00 14.25 ATOM 1074 CB PRO 68 11.238 -30.920 41.179 1.00 71.32 ATOM 1075 HB1 PRO 68 10.463 -30.263 40.809 1.00 38.50 ATOM 1076 HB2 PRO 68 12.017 -30.332 41.642 1.00 61.24 ATOM 1077 CG PRO 68 10.681 -31.933 42.122 1.00 2.23 ATOM 1078 HG1 PRO 68 9.861 -31.505 42.681 1.00 38.50 ATOM 1079 HG2 PRO 68 11.455 -32.276 42.795 1.00 33.15 ATOM 1080 CD PRO 68 10.193 -33.066 41.262 1.00 1.14 ATOM 1081 HD1 PRO 68 9.180 -32.884 40.932 1.00 38.50 ATOM 1082 HD2 PRO 68 10.256 -34.002 41.799 1.00 21.22 ATOM 1083 C PRO 68 13.350 -31.853 40.127 1.00 35.32 ATOM 1084 O PRO 68 14.085 -30.998 39.626 1.00 10.35 ATOM 1085 N GLU 69 13.830 -32.905 40.791 1.00 51.33 ATOM 1086 HN GLU 69 13.199 -33.527 41.217 1.00 38.50 ATOM 1087 CA GLU 69 15.272 -33.160 40.894 1.00 53.33 ATOM 1088 HA GLU 69 15.777 -32.443 40.261 1.00 11.12 ATOM 1089 CB GLU 69 15.777 -32.977 42.331 1.00 12.11 ATOM 1090 HB1 GLU 69 16.810 -33.293 42.377 1.00 38.50 ATOM 1091 HB2 GLU 69 15.191 -33.607 42.986 1.00 33.11 ATOM 1092 CG GLU 69 15.692 -31.547 42.847 1.00 52.42 ATOM 1093 HG1 GLU 69 14.663 -31.326 43.095 1.00 38.50 ATOM 1094 HG2 GLU 69 16.023 -30.874 42.067 1.00 0.22 ATOM 1095 CD GLU 69 16.552 -31.325 44.081 1.00 53.34 ATOM 1096 OE1 GLU 69 17.705 -30.870 43.929 1.00 44.42 ATOM 1097 OE2 GLU 69 16.091 -31.623 45.203 1.00 25.13 ATOM 1098 C GLU 69 15.634 -34.569 40.407 1.00 34.33 ATOM 1099 O GLU 69 15.637 -35.528 41.186 1.00 22.34 ATOM 1100 N PRO 70 15.926 -34.723 39.107 1.00 61.31 ATOM 1101 CA PRO 70 16.408 -35.997 38.564 1.00 34.20 ATOM 1102 HA PRO 70 15.734 -36.806 38.813 1.00 52.23 ATOM 1103 CB PRO 70 16.392 -35.765 37.045 1.00 64.15 ATOM 1104 HB1 PRO 70 15.472 -36.149 36.630 1.00 38.50 ATOM 1105 HB2 PRO 70 17.233 -36.271 36.588 1.00 21.42 ATOM 1106 CG PRO 70 16.486 -34.284 36.876 1.00 22.42 ATOM 1107 HG1 PRO 70 15.996 -33.986 35.959 1.00 38.50 ATOM 1108 HG2 PRO 70 17.522 -33.978 36.862 1.00 1.33 ATOM 1109 CD PRO 70 15.782 -33.685 38.064 1.00 3.31 ATOM 1110 HD1 PRO 70 14.739 -33.510 37.837 1.00 38.50 ATOM 1111 HD2 PRO 70 16.262 -32.763 38.364 1.00 62.34 ATOM 1112 C PRO 70 17.824 -36.352 39.062 1.00 51.22 ATOM 1113 O PRO 70 18.827 -35.927 38.484 1.00 71.44 ATOM 1114 N ARG 71 17.897 -37.117 40.154 1.00 43.44 ATOM 1115 HN ARG 71 17.064 -37.407 40.589 1.00 38.50 ATOM 1116 CA ARG 71 19.182 -37.547 40.725 1.00 41.23 ATOM 1117 HA ARG 71 19.867 -36.711 40.679 1.00 0.43 ATOM 1118 CB ARG 71 18.989 -37.955 42.193 1.00 21.44 ATOM 1119 HB1 ARG 71 19.932 -38.311 42.586 1.00 38.50 ATOM 1120 HB2 ARG 71 18.267 -38.760 42.237 1.00 32.34 ATOM 1121 CG ARG 71 18.493 -36.821 43.090 1.00 13.15 ATOM 1122 HG1 ARG 71 18.257 -37.223 44.065 1.00 38.50 ATOM 1123 HG2 ARG 71 17.603 -36.392 42.653 1.00 25.33 ATOM 1124 CD ARG 71 19.540 -35.721 43.250 1.00 24.34 ATOM 1125 HD1 ARG 71 19.801 -35.343 42.271 1.00 38.50 ATOM 1126 HD2 ARG 71 20.419 -36.145 43.715 1.00 20.02 ATOM 1127 NE ARG 71 19.056 -34.609 44.074 1.00 32.43 ATOM 1128 HE ARG 71 18.102 -34.399 44.033 1.00 35.43 ATOM 1129 CZ ARG 71 19.821 -33.866 44.833 1.00 0.00 ATOM 1130 NH1 ARG 71 21.083 -34.125 44.956 1.00 44.23 ATOM 1131 HH11 ARG 71 21.486 -34.890 44.465 1.00 22.30 ATOM 1132 HH12 ARG 71 21.648 -33.561 45.557 1.00 24.35 ATOM 1133 NH2 ARG 71 19.318 -32.864 45.479 1.00 2.00 ATOM 1134 HH21 ARG 71 18.346 -32.657 45.404 1.00 51.00 ATOM 1135 HH22 ARG 71 19.912 -32.287 46.038 1.00 31.12 ATOM 1136 C ARG 71 19.774 -38.717 39.922 1.00 35.44 ATOM 1137 O ARG 71 20.976 -38.986 39.971 1.00 44.13 ATOM 1138 N SER 72 18.910 -39.416 39.191 1.00 60.42 ATOM 1139 HN SER 72 17.955 -39.190 39.249 1.00 38.50 ATOM 1140 CA SER 72 19.326 -40.518 38.312 1.00 3.40 ATOM 1141 HA SER 72 20.406 -40.501 38.243 1.00 74.05 ATOM 1142 CB SER 72 18.888 -41.867 38.901 1.00 63.34 ATOM 1143 HB1 SER 72 19.164 -42.663 38.221 1.00 38.50 ATOM 1144 HB2 SER 72 17.817 -41.867 39.036 1.00 51.24 ATOM 1145 OG SER 72 19.503 -42.110 40.159 1.00 32.44 ATOM 1146 HG SER 72 19.095 -41.548 40.830 1.00 74.23 ATOM 1147 C SER 72 18.742 -40.347 36.903 1.00 3.32 ATOM 1148 O SER 72 17.717 -39.680 36.724 1.00 34.11 ATOM 1149 N GLU 73 19.389 -40.959 35.907 1.00 55.34 ATOM 1150 HN GLU 73 20.173 -41.512 36.119 1.00 38.50 ATOM 1151 CA GLU 73 18.973 -40.825 34.500 1.00 64.21 ATOM 1152 HA GLU 73 19.115 -39.790 34.219 1.00 75.30 ATOM 1153 CB GLU 73 19.860 -41.703 33.600 1.00 13.50 ATOM 1154 HB1 GLU 73 19.772 -42.732 33.922 1.00 38.50 ATOM 1155 HB2 GLU 73 20.888 -41.389 33.713 1.00 42.22 ATOM 1156 CG GLU 73 19.500 -41.633 32.118 1.00 72.12 ATOM 1157 HG1 GLU 73 19.494 -40.596 31.813 1.00 38.50 ATOM 1158 HG2 GLU 73 18.510 -42.047 31.983 1.00 12.23 ATOM 1159 CD GLU 73 20.473 -42.396 31.231 1.00 2.32 ATOM 1160 OE1 GLU 73 21.565 -41.859 30.944 1.00 30.14 ATOM 1161 OE2 GLU 73 20.154 -43.529 30.813 1.00 33.41 ATOM 1162 C GLU 73 17.489 -41.187 34.299 1.00 43.42 ATOM 1163 O GLU 73 16.727 -40.408 33.719 1.00 75.32 ATOM 1164 N SER 74 17.091 -42.365 34.785 1.00 75.23 ATOM 1165 HN SER 74 17.757 -42.950 35.208 1.00 38.50 ATOM 1166 CA SER 74 15.696 -42.836 34.687 1.00 50.33 ATOM 1167 HA SER 74 15.518 -43.115 33.658 1.00 23.42 ATOM 1168 CB SER 74 15.485 -44.072 35.574 1.00 4.02 ATOM 1169 HB1 SER 74 15.778 -43.839 36.589 1.00 38.50 ATOM 1170 HB2 SER 74 16.096 -44.884 35.206 1.00 23.34 ATOM 1171 OG SER 74 14.127 -44.493 35.577 1.00 34.45 ATOM 1172 HG SER 74 14.051 -45.312 36.087 1.00 65.51 ATOM 1173 C SER 74 14.683 -41.749 35.077 1.00 74.22 ATOM 1174 O SER 74 13.710 -41.513 34.361 1.00 51.43 ATOM 1175 N GLU 75 14.920 -41.081 36.207 1.00 22.53 ATOM 1176 HN GLU 75 15.717 -41.301 36.731 1.00 38.50 ATOM 1177 CA GLU 75 14.016 -40.026 36.689 1.00 13.52 ATOM 1178 HA GLU 75 13.044 -40.473 36.844 1.00 43.22 ATOM 1179 CB GLU 75 14.519 -39.458 38.023 1.00 13.22 ATOM 1180 HB1 GLU 75 13.803 -38.732 38.386 1.00 38.50 ATOM 1181 HB2 GLU 75 15.464 -38.961 37.855 1.00 22.13 ATOM 1182 CG GLU 75 14.721 -40.511 39.107 1.00 35.23 ATOM 1183 HG1 GLU 75 15.463 -41.222 38.770 1.00 38.50 ATOM 1184 HG2 GLU 75 13.783 -41.025 39.274 1.00 45.53 ATOM 1185 CD GLU 75 15.189 -39.907 40.422 1.00 3.32 ATOM 1186 OE1 GLU 75 14.405 -39.889 41.393 1.00 43.01 ATOM 1187 OE2 GLU 75 16.342 -39.433 40.486 1.00 62.33 ATOM 1188 C GLU 75 13.879 -38.889 35.662 1.00 60.55 ATOM 1189 O GLU 75 12.771 -38.461 35.335 1.00 21.22 ATOM 1190 N CYS 76 15.013 -38.416 35.145 1.00 62.13 ATOM 1191 HN CYS 76 15.867 -38.805 35.435 1.00 38.50 ATOM 1192 CA CYS 76 15.021 -37.331 34.151 1.00 71.22 ATOM 1193 HA CYS 76 14.529 -36.474 34.589 1.00 72.24 ATOM 1194 CB CYS 76 16.464 -36.950 33.793 1.00 44.03 ATOM 1195 HB1 CYS 76 16.899 -37.734 33.188 1.00 38.50 ATOM 1196 HB2 CYS 76 17.037 -36.850 34.702 1.00 11.42 ATOM 1197 SG CYS 76 16.624 -35.399 32.878 1.00 40.02 ATOM 1198 HG CYS 76 15.738 -35.403 31.890 1.00 51.42 ATOM 1199 C CYS 76 14.262 -37.747 32.884 1.00 54.11 ATOM 1200 O CYS 76 13.467 -36.981 32.335 1.00 53.34 ATOM 1201 N LEU 77 14.509 -38.976 32.438 1.00 70.01 ATOM 1202 HN LEU 77 15.182 -39.522 32.898 1.00 38.50 ATOM 1203 CA LEU 77 13.811 -39.540 31.279 1.00 44.15 ATOM 1204 HA LEU 77 13.960 -38.870 30.443 1.00 42.25 ATOM 1205 CB LEU 77 14.397 -40.916 30.926 1.00 43.15 ATOM 1206 HB1 LEU 77 13.866 -41.301 30.067 1.00 38.50 ATOM 1207 HB2 LEU 77 14.222 -41.582 31.762 1.00 33.43 ATOM 1208 CG LEU 77 15.904 -40.930 30.607 1.00 41.44 ATOM 1209 HG LEU 77 16.446 -40.560 31.467 1.00 62.30 ATOM 1210 CD1 LEU 77 16.391 -42.350 30.328 1.00 4.44 ATOM 1211 HD11 LEU 77 17.447 -42.328 30.095 1.00 2.23 ATOM 1212 HD12 LEU 77 15.848 -42.764 29.490 1.00 31.15 ATOM 1213 HD13 LEU 77 16.231 -42.965 31.201 1.00 44.41 ATOM 1214 CD2 LEU 77 16.217 -40.011 29.427 1.00 62.34 ATOM 1215 HD21 LEU 77 15.941 -38.996 29.677 1.00 70.45 ATOM 1216 HD22 LEU 77 15.659 -40.331 28.559 1.00 64.31 ATOM 1217 HD23 LEU 77 17.275 -40.051 29.209 1.00 20.13 ATOM 1218 C LEU 77 12.304 -39.670 31.551 1.00 74.21 ATOM 1219 O LEU 77 11.481 -39.434 30.667 1.00 31.52 ATOM 1220 N SER 78 11.952 -40.036 32.786 1.00 63.44 ATOM 1221 HN SER 78 12.657 -40.190 33.452 1.00 38.50 ATOM 1222 CA SER 78 10.544 -40.205 33.183 1.00 30.43 ATOM 1223 HA SER 78 10.110 -40.949 32.529 1.00 13.42 ATOM 1224 CB SER 78 10.442 -40.705 34.631 1.00 53.11 ATOM 1225 HB1 SER 78 9.401 -40.786 34.911 1.00 38.50 ATOM 1226 HB2 SER 78 10.937 -40.004 35.289 1.00 13.43 ATOM 1227 OG SER 78 11.055 -41.978 34.781 1.00 1.44 ATOM 1228 HG SER 78 11.899 -41.984 34.315 1.00 63.12 ATOM 1229 C SER 78 9.753 -38.900 33.027 1.00 72.14 ATOM 1230 O SER 78 8.620 -38.910 32.542 1.00 70.10 ATOM 1231 N ASN 79 10.356 -37.781 33.431 1.00 34.41 ATOM 1232 HN ASN 79 11.232 -37.842 33.873 1.00 38.50 ATOM 1233 CA ASN 79 9.736 -36.460 33.251 1.00 65.34 ATOM 1234 HA ASN 79 8.823 -36.440 33.831 1.00 21.33 ATOM 1235 CB ASN 79 10.673 -35.354 33.755 1.00 53.44 ATOM 1236 HB1 ASN 79 10.185 -34.397 33.638 1.00 38.50 ATOM 1237 HB2 ASN 79 11.580 -35.364 33.167 1.00 33.40 ATOM 1238 CG ASN 79 11.047 -35.525 35.214 1.00 52.33 ATOM 1239 OD1 ASN 79 10.310 -36.116 35.990 1.00 13.22 ATOM 1240 ND2 ASN 79 12.191 -34.997 35.602 1.00 12.23 ATOM 1241 HD21 ASN 79 12.735 -34.528 34.936 1.00 20.44 ATOM 1242 HD22 ASN 79 12.443 -35.088 36.545 1.00 33.34 ATOM 1243 C ASN 79 9.392 -36.212 31.774 1.00 11.32 ATOM 1244 O ASN 79 8.299 -35.738 31.441 1.00 70.22 ATOM 1245 N ILE 80 10.335 -36.547 30.893 1.00 34.04 ATOM 1246 HN ILE 80 11.196 -36.880 31.225 1.00 38.50 ATOM 1247 CA ILE 80 10.125 -36.433 29.449 1.00 11.03 ATOM 1248 HA ILE 80 9.817 -35.419 29.234 1.00 52.20 ATOM 1249 CB ILE 80 11.434 -36.720 28.668 1.00 51.30 ATOM 1250 HB ILE 80 11.727 -37.741 28.867 1.00 52.41 ATOM 1251 CG1 ILE 80 12.559 -35.780 29.143 1.00 3.30 ATOM 1252 HG11 ILE 80 12.693 -35.902 30.209 1.00 38.50 ATOM 1253 HG12 ILE 80 12.279 -34.756 28.938 1.00 40.22 ATOM 1254 CG2 ILE 80 11.207 -36.581 27.160 1.00 5.24 ATOM 1255 HG21 ILE 80 12.127 -36.787 26.632 1.00 3.32 ATOM 1256 HG22 ILE 80 10.882 -35.575 26.935 1.00 71.04 ATOM 1257 HG23 ILE 80 10.447 -37.282 26.843 1.00 61.22 ATOM 1258 CD1 ILE 80 13.896 -36.035 28.476 1.00 23.34 ATOM 1259 HD11 ILE 80 14.630 -35.347 28.867 1.00 45.15 ATOM 1260 HD12 ILE 80 13.803 -35.892 27.408 1.00 3.34 ATOM 1261 HD13 ILE 80 14.211 -37.049 28.677 1.00 11.31 ATOM 1262 C ILE 80 9.026 -37.400 28.978 1.00 31.50 ATOM 1263 O ILE 80 8.192 -37.053 28.143 1.00 25.13 ATOM 1264 N ARG 81 9.020 -38.613 29.536 1.00 2.43 ATOM 1265 HN ARG 81 9.701 -38.829 30.210 1.00 38.50 ATOM 1266 CA ARG 81 8.018 -39.629 29.178 1.00 0.11 ATOM 1267 HA ARG 81 8.060 -39.756 28.106 1.00 64.21 ATOM 1268 CB ARG 81 8.347 -40.976 29.842 1.00 45.51 ATOM 1269 HB1 ARG 81 7.558 -41.679 29.613 1.00 38.50 ATOM 1270 HB2 ARG 81 8.384 -40.833 30.914 1.00 70.51 ATOM 1271 CG ARG 81 9.676 -41.587 29.400 1.00 12.10 ATOM 1272 HG1 ARG 81 9.806 -42.536 29.902 1.00 38.50 ATOM 1273 HG2 ARG 81 10.476 -40.921 29.684 1.00 13.11 ATOM 1274 CD ARG 81 9.741 -41.816 27.890 1.00 10.43 ATOM 1275 HD1 ARG 81 10.692 -42.273 27.651 1.00 38.50 ATOM 1276 HD2 ARG 81 9.670 -40.861 27.387 1.00 23.31 ATOM 1277 NE ARG 81 8.666 -42.685 27.415 1.00 55.40 ATOM 1278 HE ARG 81 8.028 -43.019 28.075 1.00 5.23 ATOM 1279 CZ ARG 81 8.498 -43.038 26.169 1.00 72.40 ATOM 1280 NH1 ARG 81 9.332 -42.650 25.257 1.00 62.41 ATOM 1281 HH11 ARG 81 10.111 -42.084 25.504 1.00 13.01 ATOM 1282 HH12 ARG 81 9.193 -42.920 24.305 1.00 72.32 ATOM 1283 NH2 ARG 81 7.498 -43.795 25.846 1.00 74.14 ATOM 1284 HH21 ARG 81 6.862 -44.109 26.552 1.00 54.24 ATOM 1285 HH22 ARG 81 7.361 -44.062 24.896 1.00 15.03 ATOM 1286 C ARG 81 6.591 -39.189 29.556 1.00 32.34 ATOM 1287 O ARG 81 5.624 -39.552 28.882 1.00 62.44 ATOM 1288 N GLU 82 6.458 -38.429 30.644 1.00 61.44 ATOM 1289 HN GLU 82 7.248 -38.241 31.196 1.00 38.50 ATOM 1290 CA GLU 82 5.155 -37.875 31.042 1.00 44.11 ATOM 1291 HA GLU 82 4.438 -38.684 31.010 1.00 11.03 ATOM 1292 CB GLU 82 5.210 -37.311 32.480 1.00 52.52 ATOM 1293 HB1 GLU 82 4.948 -36.261 32.460 1.00 38.50 ATOM 1294 HB2 GLU 82 6.220 -37.406 32.853 1.00 32.31 ATOM 1295 CG GLU 82 4.268 -38.018 33.461 1.00 71.25 ATOM 1296 HG1 GLU 82 3.271 -38.010 33.046 1.00 38.50 ATOM 1297 HG2 GLU 82 4.268 -37.470 34.393 1.00 1.10 ATOM 1298 CD GLU 82 4.663 -39.464 33.746 1.00 74.52 ATOM 1299 OE1 GLU 82 4.560 -40.311 32.829 1.00 62.41 ATOM 1300 OE2 GLU 82 5.067 -39.765 34.891 1.00 53.23 ATOM 1301 C GLU 82 4.699 -36.794 30.046 1.00 55.42 ATOM 1302 O GLU 82 3.524 -36.732 29.662 1.00 55.11 ATOM 1303 N PHE 83 5.640 -35.951 29.625 1.00 50.25 ATOM 1304 HN PHE 83 6.526 -35.981 30.045 1.00 38.50 ATOM 1305 CA PHE 83 5.390 -34.975 28.558 1.00 1.01 ATOM 1306 HA PHE 83 4.614 -34.300 28.896 1.00 33.22 ATOM 1307 CB PHE 83 6.672 -34.174 28.282 1.00 73.55 ATOM 1308 HB1 PHE 83 7.481 -34.865 28.086 1.00 38.50 ATOM 1309 HB2 PHE 83 6.917 -33.591 29.158 1.00 50.31 ATOM 1310 CG PHE 83 6.576 -33.226 27.113 1.00 13.45 ATOM 1311 CD1 PHE 83 7.219 -33.509 25.913 1.00 25.45 ATOM 1312 HD1 PHE 83 7.793 -34.421 25.819 1.00 30.42 ATOM 1313 CD2 PHE 83 5.846 -32.053 27.214 1.00 3.14 ATOM 1314 HD2 PHE 83 5.342 -31.821 28.140 1.00 41.41 ATOM 1315 CE1 PHE 83 7.133 -32.639 24.844 1.00 51.44 ATOM 1316 HE1 PHE 83 7.638 -32.869 23.915 1.00 60.22 ATOM 1317 CE2 PHE 83 5.757 -31.180 26.149 1.00 70.24 ATOM 1318 HE2 PHE 83 5.184 -30.268 26.243 1.00 75.32 ATOM 1319 CZ PHE 83 6.402 -31.474 24.961 1.00 72.12 ATOM 1320 HZ PHE 83 6.332 -30.792 24.125 1.00 41.42 ATOM 1321 C PHE 83 4.912 -35.686 27.278 1.00 40.14 ATOM 1322 O PHE 83 3.940 -35.272 26.640 1.00 44.41 ATOM 1323 N LEU 84 5.599 -36.771 26.924 1.00 34.53 ATOM 1324 HN LEU 84 6.388 -37.023 27.450 1.00 38.50 ATOM 1325 CA LEU 84 5.226 -37.591 25.767 1.00 52.44 ATOM 1326 HA LEU 84 5.189 -36.943 24.901 1.00 23.01 ATOM 1327 CB LEU 84 6.285 -38.675 25.529 1.00 12.44 ATOM 1328 HB1 LEU 84 5.952 -39.301 24.712 1.00 38.50 ATOM 1329 HB2 LEU 84 6.350 -39.283 26.421 1.00 4.23 ATOM 1330 CG LEU 84 7.695 -38.156 25.195 1.00 61.14 ATOM 1331 HG LEU 84 8.026 -37.504 25.991 1.00 60.03 ATOM 1332 CD1 LEU 84 8.689 -39.311 25.099 1.00 24.24 ATOM 1333 HD11 LEU 84 8.377 -39.995 24.322 1.00 52.02 ATOM 1334 HD12 LEU 84 8.726 -39.833 26.044 1.00 22.43 ATOM 1335 HD13 LEU 84 9.671 -38.925 24.865 1.00 32.24 ATOM 1336 CD2 LEU 84 7.678 -37.346 23.900 1.00 65.20 ATOM 1337 HD21 LEU 84 8.671 -36.968 23.698 1.00 33.12 ATOM 1338 HD22 LEU 84 6.994 -36.516 24.002 1.00 60.23 ATOM 1339 HD23 LEU 84 7.359 -37.976 23.082 1.00 10.15 ATOM 1340 C LEU 84 3.843 -38.238 25.954 1.00 40.44 ATOM 1341 O LEU 84 3.080 -38.374 24.999 1.00 14.50 ATOM 1342 N ARG 85 3.530 -38.633 27.190 1.00 13.54 ATOM 1343 HN ARG 85 4.195 -38.526 27.902 1.00 38.50 ATOM 1344 CA ARG 85 2.225 -39.230 27.514 1.00 20.40 ATOM 1345 HA ARG 85 2.138 -40.157 26.966 1.00 43.01 ATOM 1346 CB ARG 85 2.134 -39.527 29.023 1.00 54.24 ATOM 1347 HB1 ARG 85 2.183 -38.593 29.564 1.00 38.50 ATOM 1348 HB2 ARG 85 2.979 -40.139 29.306 1.00 73.34 ATOM 1349 CG ARG 85 0.854 -40.257 29.437 1.00 35.15 ATOM 1350 HG1 ARG 85 0.891 -41.267 29.053 1.00 38.50 ATOM 1351 HG2 ARG 85 0.005 -39.743 29.010 1.00 31.42 ATOM 1352 CD ARG 85 0.678 -40.313 30.958 1.00 24.51 ATOM 1353 HD1 ARG 85 -0.223 -40.867 31.177 1.00 38.50 ATOM 1354 HD2 ARG 85 0.573 -39.304 31.330 1.00 61.24 ATOM 1355 NE ARG 85 1.807 -40.951 31.641 1.00 31.22 ATOM 1356 HE ARG 85 2.707 -40.739 31.323 1.00 0.30 ATOM 1357 CZ ARG 85 1.688 -41.760 32.665 1.00 62.41 ATOM 1358 NH1 ARG 85 0.522 -42.086 33.124 1.00 61.02 ATOM 1359 HH11 ARG 85 -0.303 -41.721 32.705 1.00 40.32 ATOM 1360 HH12 ARG 85 0.454 -42.703 33.906 1.00 14.50 ATOM 1361 NH2 ARG 85 2.743 -42.236 33.238 1.00 73.24 ATOM 1362 HH21 ARG 85 3.649 -41.980 32.906 1.00 24.04 ATOM 1363 HH22 ARG 85 2.649 -42.855 34.017 1.00 51.15 ATOM 1364 C ARG 85 1.070 -38.299 27.103 1.00 55.34 ATOM 1365 O ARG 85 0.192 -38.681 26.327 1.00 62.25 ATOM 1366 N GLY 86 1.088 -37.073 27.627 1.00 51.34 ATOM 1367 HN GLY 86 1.828 -36.819 28.223 1.00 38.50 ATOM 1368 CA GLY 86 0.034 -36.108 27.324 1.00 23.31 ATOM 1369 HA1 GLY 86 0.220 -35.206 27.890 1.00 38.50 ATOM 1370 HA2 GLY 86 -0.915 -36.520 27.635 1.00 52.44 ATOM 1371 C GLY 86 -0.049 -35.746 25.841 1.00 2.32 ATOM 1372 O GLY 86 -1.111 -35.867 25.219 1.00 4.01 ATOM 1373 N CYS 87 1.075 -35.310 25.271 1.00 72.31 ATOM 1374 HN CYS 87 1.889 -35.236 25.819 1.00 38.50 ATOM 1375 CA CYS 87 1.134 -34.925 23.852 1.00 4.13 ATOM 1376 HA CYS 87 0.392 -34.155 23.690 1.00 21.31 ATOM 1377 CB CYS 87 2.517 -34.353 23.516 1.00 53.43 ATOM 1378 HB1 CYS 87 2.543 -34.073 22.471 1.00 38.50 ATOM 1379 HB2 CYS 87 3.268 -35.108 23.700 1.00 73.21 ATOM 1380 SG CYS 87 2.963 -32.892 24.481 1.00 63.35 ATOM 1381 HG CYS 87 4.284 -32.800 24.501 1.00 42.41 ATOM 1382 C CYS 87 0.820 -36.111 22.923 1.00 73.20 ATOM 1383 O CYS 87 0.215 -35.943 21.864 1.00 42.05 ATOM 1384 N GLY 88 1.234 -37.307 23.325 1.00 54.32 ATOM 1385 HN GLY 88 1.723 -37.381 24.171 1.00 38.50 ATOM 1386 CA GLY 88 0.980 -38.506 22.529 1.00 24.35 ATOM 1387 HA1 GLY 88 1.624 -39.298 22.885 1.00 38.50 ATOM 1388 HA2 GLY 88 1.229 -38.298 21.499 1.00 72.12 ATOM 1389 C GLY 88 -0.468 -38.985 22.597 1.00 75.40 ATOM 1390 O GLY 88 -1.014 -39.475 21.607 1.00 41.34 ATOM 1391 N ALA 89 -1.092 -38.849 23.765 1.00 54.24 ATOM 1392 HN ALA 89 -0.609 -38.444 24.518 1.00 38.50 ATOM 1393 CA ALA 89 -2.476 -39.299 23.962 1.00 2.40 ATOM 1394 HA ALA 89 -2.599 -40.234 23.430 1.00 42.42 ATOM 1395 CB ALA 89 -2.735 -39.566 25.443 1.00 71.25 ATOM 1396 HB1 ALA 89 -2.645 -38.642 25.997 1.00 62.12 ATOM 1397 HB2 ALA 89 -2.011 -40.278 25.813 1.00 11.40 ATOM 1398 HB3 ALA 89 -3.730 -39.967 25.570 1.00 4.40 ATOM 1399 C ALA 89 -3.498 -38.286 23.418 1.00 72.14 ATOM 1400 O ALA 89 -4.197 -38.556 22.438 1.00 3.52 ATOM 1401 N SER 90 -3.568 -37.114 24.050 1.00 31.04 ATOM 1402 HN SER 90 -2.927 -36.922 24.768 1.00 38.50 ATOM 1403 CA SER 90 -4.579 -36.101 23.701 1.00 51.42 ATOM 1404 HA SER 90 -5.534 -36.603 23.637 1.00 70.24 ATOM 1405 CB SER 90 -4.665 -35.032 24.801 1.00 60.13 ATOM 1406 HB1 SER 90 -3.694 -34.574 24.930 1.00 38.50 ATOM 1407 HB2 SER 90 -4.968 -35.496 25.727 1.00 2.41 ATOM 1408 OG SER 90 -5.605 -34.021 24.472 1.00 51.21 ATOM 1409 HG SER 90 -6.471 -34.419 24.326 1.00 61.14 ATOM 1410 C SER 90 -4.291 -35.429 22.351 1.00 41.40 ATOM 1411 O SER 90 -5.193 -35.245 21.530 1.00 22.22 ATOM 1412 N LEU 91 -3.035 -35.064 22.121 1.00 11.50 ATOM 1413 HN LEU 91 -2.352 -35.257 22.796 1.00 38.50 ATOM 1414 CA LEU 91 -2.648 -34.363 20.890 1.00 3.23 ATOM 1415 HA LEU 91 -3.503 -33.788 20.561 1.00 61.05 ATOM 1416 CB LEU 91 -1.498 -33.395 21.188 1.00 43.23 ATOM 1417 HB1 LEU 91 -1.162 -32.962 20.255 1.00 38.50 ATOM 1418 HB2 LEU 91 -0.680 -33.961 21.615 1.00 34.12 ATOM 1419 CG LEU 91 -1.854 -32.250 22.149 1.00 51.33 ATOM 1420 HG LEU 91 -2.285 -32.666 23.048 1.00 41.03 ATOM 1421 CD1 LEU 91 -0.608 -31.466 22.550 1.00 14.35 ATOM 1422 HD11 LEU 91 -0.157 -31.026 21.671 1.00 1.13 ATOM 1423 HD12 LEU 91 0.102 -32.131 23.021 1.00 0.32 ATOM 1424 HD13 LEU 91 -0.881 -30.684 23.244 1.00 50.51 ATOM 1425 CD2 LEU 91 -2.893 -31.324 21.515 1.00 23.24 ATOM 1426 HD21 LEU 91 -3.108 -30.507 22.189 1.00 21.34 ATOM 1427 HD22 LEU 91 -3.801 -31.877 21.322 1.00 72.03 ATOM 1428 HD23 LEU 91 -2.507 -30.931 20.583 1.00 3.32 ATOM 1429 C LEU 91 -2.258 -35.334 19.761 1.00 42.30 ATOM 1430 O LEU 91 -2.407 -35.009 18.581 1.00 64.22 ATOM 1431 N ARG 92 -1.743 -36.510 20.126 1.00 21.22 ATOM 1432 HN ARG 92 -1.599 -36.686 21.079 1.00 38.50 ATOM 1433 CA ARG 92 -1.385 -37.554 19.149 1.00 33.14 ATOM 1434 HA ARG 92 -0.921 -38.359 19.699 1.00 0.43 ATOM 1435 CB ARG 92 -2.667 -38.091 18.477 1.00 0.20 ATOM 1436 HB1 ARG 92 -3.103 -37.298 17.882 1.00 38.50 ATOM 1437 HB2 ARG 92 -3.370 -38.367 19.250 1.00 32.23 ATOM 1438 CG ARG 92 -2.456 -39.307 17.573 1.00 75.51 ATOM 1439 HG1 ARG 92 -1.869 -39.007 16.715 1.00 38.50 ATOM 1440 HG2 ARG 92 -3.420 -39.663 17.239 1.00 21.40 ATOM 1441 CD ARG 92 -1.736 -40.445 18.292 1.00 61.43 ATOM 1442 HD1 ARG 92 -2.338 -40.766 19.130 1.00 38.50 ATOM 1443 HD2 ARG 92 -0.783 -40.084 18.652 1.00 74.44 ATOM 1444 NE ARG 92 -1.511 -41.587 17.408 1.00 41.43 ATOM 1445 HE ARG 92 -2.254 -42.210 17.278 1.00 61.22 ATOM 1446 CZ ARG 92 -0.386 -41.829 16.788 1.00 3.14 ATOM 1447 NH1 ARG 92 0.627 -41.033 16.924 1.00 64.23 ATOM 1448 HH11 ARG 92 0.555 -40.231 17.509 1.00 1.34 ATOM 1449 HH12 ARG 92 1.478 -41.217 16.433 1.00 74.41 ATOM 1450 NH2 ARG 92 -0.278 -42.867 16.027 1.00 54.01 ATOM 1451 HH21 ARG 92 -1.053 -43.483 15.911 1.00 63.52 ATOM 1452 HH22 ARG 92 0.583 -43.052 15.558 1.00 22.43 ATOM 1453 C ARG 92 -0.366 -37.036 18.105 1.00 54.44 ATOM 1454 O ARG 92 -0.288 -37.526 16.975 1.00 22.53 ATOM 1455 N LEU 93 0.445 -36.063 18.508 1.00 64.30 ATOM 1456 HN LEU 93 0.363 -35.728 19.426 1.00 38.50 ATOM 1457 CA LEU 93 1.460 -35.481 17.622 1.00 52.40 ATOM 1458 HA LEU 93 1.053 -35.486 16.619 1.00 52.12 ATOM 1459 CB LEU 93 1.726 -34.018 18.030 1.00 13.44 ATOM 1460 HB1 LEU 93 0.847 -33.441 17.778 1.00 38.50 ATOM 1461 HB2 LEU 93 2.551 -33.648 17.437 1.00 53.41 ATOM 1462 CG LEU 93 2.052 -33.766 19.521 1.00 3.33 ATOM 1463 HG LEU 93 1.407 -34.387 20.129 1.00 63.32 ATOM 1464 CD1 LEU 93 3.494 -34.137 19.854 1.00 25.42 ATOM 1465 HD11 LEU 93 3.651 -35.187 19.659 1.00 41.13 ATOM 1466 HD12 LEU 93 3.686 -33.933 20.898 1.00 10.33 ATOM 1467 HD13 LEU 93 4.167 -33.552 19.244 1.00 61.15 ATOM 1468 CD2 LEU 93 1.779 -32.310 19.893 1.00 21.44 ATOM 1469 HD21 LEU 93 2.014 -32.155 20.937 1.00 35.13 ATOM 1470 HD22 LEU 93 0.735 -32.084 19.725 1.00 63.12 ATOM 1471 HD23 LEU 93 2.391 -31.659 19.285 1.00 51.24 ATOM 1472 C LEU 93 2.759 -36.312 17.614 1.00 13.22 ATOM 1473 O LEU 93 2.886 -37.289 18.359 1.00 3.12 ATOM 1474 N GLU 94 3.713 -35.922 16.763 1.00 2.34 ATOM 1475 HN GLU 94 3.547 -35.147 16.187 1.00 38.50 ATOM 1476 CA GLU 94 5.006 -36.622 16.658 1.00 32.14 ATOM 1477 HA GLU 94 4.806 -37.634 16.332 1.00 74.10 ATOM 1478 CB GLU 94 5.909 -35.934 15.617 1.00 13.03 ATOM 1479 HB1 GLU 94 6.885 -36.401 15.639 1.00 38.50 ATOM 1480 HB2 GLU 94 6.016 -34.892 15.885 1.00 32.53 ATOM 1481 CG GLU 94 5.381 -36.004 14.187 1.00 5.23 ATOM 1482 HG1 GLU 94 4.407 -35.534 14.153 1.00 38.50 ATOM 1483 HG2 GLU 94 5.285 -37.042 13.902 1.00 64.04 ATOM 1484 CD GLU 94 6.297 -35.306 13.188 1.00 72.23 ATOM 1485 OE1 GLU 94 7.333 -35.894 12.807 1.00 44.44 ATOM 1486 OE2 GLU 94 5.987 -34.165 12.780 1.00 64.13 ATOM 1487 C GLU 94 5.732 -36.673 18.012 1.00 52.12 ATOM 1488 O GLU 94 6.130 -35.641 18.552 1.00 20.21 ATOM 1489 N THR 95 5.897 -37.875 18.564 1.00 31.13 ATOM 1490 HN THR 95 5.560 -38.668 18.094 1.00 38.50 ATOM 1491 CA THR 95 6.578 -38.037 19.855 1.00 43.51 ATOM 1492 HA THR 95 6.670 -37.056 20.304 1.00 21.21 ATOM 1493 CB THR 95 5.776 -38.930 20.834 1.00 44.11 ATOM 1494 HB THR 95 6.341 -39.012 21.753 1.00 51.52 ATOM 1495 OG1 THR 95 5.591 -40.246 20.285 1.00 2.54 ATOM 1496 HG1 THR 95 4.984 -40.199 19.534 1.00 41.31 ATOM 1497 CG2 THR 95 4.415 -38.318 21.157 1.00 20.21 ATOM 1498 HG21 THR 95 4.552 -37.352 21.620 1.00 45.41 ATOM 1499 HG22 THR 95 3.881 -38.969 21.836 1.00 1.12 ATOM 1500 HG23 THR 95 3.845 -38.205 20.247 1.00 13.34 ATOM 1501 C THR 95 7.984 -38.629 19.689 1.00 65.40 ATOM 1502 O THR 95 8.167 -39.677 19.068 1.00 51.35 ATOM 1503 N PHE 96 8.971 -37.943 20.254 1.00 73.13 ATOM 1504 HN PHE 96 8.755 -37.112 20.721 1.00 38.50 ATOM 1505 CA PHE 96 10.371 -38.383 20.209 1.00 13.42 ATOM 1506 HA PHE 96 10.534 -38.895 19.271 1.00 23.14 ATOM 1507 CB PHE 96 11.300 -37.160 20.276 1.00 43.31 ATOM 1508 HB1 PHE 96 11.125 -36.537 19.409 1.00 38.50 ATOM 1509 HB2 PHE 96 12.328 -37.495 20.265 1.00 15.15 ATOM 1510 CG PHE 96 11.096 -36.308 21.513 1.00 75.53 ATOM 1511 CD1 PHE 96 10.042 -35.406 21.586 1.00 54.24 ATOM 1512 HD1 PHE 96 9.359 -35.320 20.752 1.00 50.44 ATOM 1513 CD2 PHE 96 11.959 -36.409 22.596 1.00 42.04 ATOM 1514 HD2 PHE 96 12.783 -37.104 22.553 1.00 52.44 ATOM 1515 CE1 PHE 96 9.853 -34.628 22.713 1.00 13.40 ATOM 1516 HE1 PHE 96 9.029 -33.930 22.756 1.00 73.23 ATOM 1517 CE2 PHE 96 11.773 -35.633 23.725 1.00 45.30 ATOM 1518 HE2 PHE 96 12.452 -35.723 24.560 1.00 0.20 ATOM 1519 CZ PHE 96 10.719 -34.741 23.783 1.00 2.51 ATOM 1520 HZ PHE 96 10.572 -34.133 24.665 1.00 11.41 ATOM 1521 C PHE 96 10.690 -39.349 21.364 1.00 70.31 ATOM 1522 O PHE 96 9.823 -39.667 22.182 1.00 42.41 ATOM 1523 N ASP 97 11.933 -39.822 21.420 1.00 63.24 ATOM 1524 HN ASP 97 12.568 -39.593 20.706 1.00 38.50 ATOM 1525 CA ASP 97 12.387 -40.669 22.523 1.00 10.33 ATOM 1526 HA ASP 97 11.515 -41.099 22.997 1.00 61.25 ATOM 1527 CB ASP 97 13.272 -41.799 21.986 1.00 32.01 ATOM 1528 HB1 ASP 97 14.154 -41.372 21.527 1.00 38.50 ATOM 1529 HB2 ASP 97 12.722 -42.356 21.241 1.00 3.12 ATOM 1530 CG ASP 97 13.710 -42.758 23.074 1.00 5.42 ATOM 1531 OD1 ASP 97 14.808 -42.571 23.632 1.00 64.03 ATOM 1532 OD2 ASP 97 12.956 -43.702 23.386 1.00 64.31 ATOM 1533 C ASP 97 13.147 -39.827 23.563 1.00 22.25 ATOM 1534 O ASP 97 13.857 -38.884 23.212 1.00 14.34 ATOM 1535 N ALA 98 13.002 -40.175 24.841 1.00 53.21 ATOM 1536 HN ALA 98 12.481 -40.975 25.059 1.00 38.50 ATOM 1537 CA ALA 98 13.602 -39.394 25.932 1.00 64.13 ATOM 1538 HA ALA 98 13.139 -38.418 25.923 1.00 61.25 ATOM 1539 CB ALA 98 13.287 -40.046 27.275 1.00 32.33 ATOM 1540 HB1 ALA 98 13.653 -39.419 28.077 1.00 35.12 ATOM 1541 HB2 ALA 98 13.765 -41.014 27.331 1.00 44.53 ATOM 1542 HB3 ALA 98 12.218 -40.169 27.376 1.00 0.53 ATOM 1543 C ALA 98 15.124 -39.213 25.765 1.00 70.23 ATOM 1544 O ALA 98 15.691 -38.203 26.190 1.00 30.23 ATOM 1545 N ASN 99 15.780 -40.186 25.136 1.00 0.52 ATOM 1546 HN ASN 99 15.276 -40.956 24.793 1.00 38.50 ATOM 1547 CA ASN 99 17.232 -40.133 24.935 1.00 12.42 ATOM 1548 HA ASN 99 17.673 -39.817 25.872 1.00 55.04 ATOM 1549 CB ASN 99 17.772 -41.524 24.591 1.00 53.32 ATOM 1550 HB1 ASN 99 18.813 -41.446 24.312 1.00 38.50 ATOM 1551 HB2 ASN 99 17.211 -41.931 23.761 1.00 25.11 ATOM 1552 CG ASN 99 17.659 -42.480 25.765 1.00 54.12 ATOM 1553 OD1 ASN 99 18.560 -42.579 26.588 1.00 15.23 ATOM 1554 ND2 ASN 99 16.557 -43.193 25.851 1.00 73.14 ATOM 1555 HD21 ASN 99 15.873 -43.079 25.157 1.00 73.24 ATOM 1556 HD22 ASN 99 16.462 -43.801 26.613 1.00 71.23 ATOM 1557 C ASN 99 17.633 -39.116 23.853 1.00 4.10 ATOM 1558 O ASN 99 18.737 -38.569 23.894 1.00 70.21 ATOM 1559 N ASP 100 16.742 -38.851 22.897 1.00 32.12 ATOM 1560 HN ASP 100 15.883 -39.328 22.893 1.00 38.50 ATOM 1561 CA ASP 100 17.015 -37.854 21.853 1.00 73.40 ATOM 1562 HA ASP 100 17.892 -38.182 21.311 1.00 5.54 ATOM 1563 CB ASP 100 15.839 -37.748 20.876 1.00 20.23 ATOM 1564 HB1 ASP 100 15.982 -36.886 20.239 1.00 38.50 ATOM 1565 HB2 ASP 100 14.922 -37.625 21.436 1.00 25.01 ATOM 1566 CG ASP 100 15.707 -38.975 19.996 1.00 22.13 ATOM 1567 OD1 ASP 100 16.664 -39.277 19.251 1.00 61.43 ATOM 1568 OD2 ASP 100 14.642 -39.625 20.013 1.00 4.10 ATOM 1569 C ASP 100 17.310 -36.479 22.466 1.00 40.30 ATOM 1570 O ASP 100 18.205 -35.764 22.018 1.00 15.44 ATOM 1571 N LEU 101 16.557 -36.126 23.503 1.00 21.14 ATOM 1572 HN LEU 101 15.852 -36.736 23.805 1.00 38.50 ATOM 1573 CA LEU 101 16.745 -34.850 24.201 1.00 63.14 ATOM 1574 HA LEU 101 17.073 -34.121 23.475 1.00 33.41 ATOM 1575 CB LEU 101 15.414 -34.383 24.804 1.00 73.12 ATOM 1576 HB1 LEU 101 15.058 -35.152 25.475 1.00 38.50 ATOM 1577 HB2 LEU 101 14.698 -34.274 24.000 1.00 23.04 ATOM 1578 CG LEU 101 15.472 -33.058 25.582 1.00 50.44 ATOM 1579 HG LEU 101 16.201 -33.147 26.377 1.00 62.34 ATOM 1580 CD1 LEU 101 15.911 -31.909 24.674 1.00 21.31 ATOM 1581 HD11 LEU 101 15.964 -30.995 25.247 1.00 63.41 ATOM 1582 HD12 LEU 101 15.198 -31.788 23.871 1.00 50.34 ATOM 1583 HD13 LEU 101 16.884 -32.128 24.259 1.00 71.10 ATOM 1584 CD2 LEU 101 14.118 -32.759 26.219 1.00 4.25 ATOM 1585 HD21 LEU 101 14.181 -31.846 26.792 1.00 71.05 ATOM 1586 HD22 LEU 101 13.837 -33.573 26.873 1.00 23.10 ATOM 1587 HD23 LEU 101 13.371 -32.647 25.445 1.00 31.11 ATOM 1588 C LEU 101 17.811 -34.960 25.306 1.00 71.21 ATOM 1589 O LEU 101 18.753 -34.168 25.352 1.00 15.31 ATOM 1590 N TYR 102 17.665 -35.954 26.186 1.00 3.35 ATOM 1591 HN TYR 102 16.927 -36.589 26.069 1.00 38.50 ATOM 1592 CA TYR 102 18.576 -36.115 27.330 1.00 62.12 ATOM 1593 HA TYR 102 18.576 -35.182 27.877 1.00 61.34 ATOM 1594 CB TYR 102 18.077 -37.227 28.261 1.00 14.04 ATOM 1595 HB1 TYR 102 18.173 -38.179 27.759 1.00 38.50 ATOM 1596 HB2 TYR 102 17.034 -37.054 28.492 1.00 54.41 ATOM 1597 CG TYR 102 18.840 -37.308 29.572 1.00 72.02 ATOM 1598 CD1 TYR 102 18.684 -36.326 30.543 1.00 40.23 ATOM 1599 HD1 TYR 102 18.007 -35.504 30.355 1.00 34.03 ATOM 1600 CD2 TYR 102 19.716 -38.356 29.839 1.00 31.41 ATOM 1601 HD2 TYR 102 19.852 -39.129 29.096 1.00 44.43 ATOM 1602 CE1 TYR 102 19.372 -36.386 31.739 1.00 41.32 ATOM 1603 HE1 TYR 102 19.235 -35.609 32.478 1.00 33.30 ATOM 1604 CE2 TYR 102 20.407 -38.422 31.035 1.00 31.34 ATOM 1605 HE2 TYR 102 21.080 -39.246 31.224 1.00 52.20 ATOM 1606 CZ TYR 102 20.232 -37.433 31.981 1.00 32.33 ATOM 1607 OH TYR 102 20.916 -37.490 33.179 1.00 4.14 ATOM 1608 HH TYR 102 21.834 -37.746 33.016 1.00 21.01 ATOM 1609 C TYR 102 20.016 -36.412 26.879 1.00 71.42 ATOM 1610 O TYR 102 20.955 -35.726 27.285 1.00 32.02 ATOM 1611 N GLN 103 20.189 -37.438 26.046 1.00 24.35 ATOM 1612 HN GLN 103 19.416 -37.979 25.784 1.00 38.50 ATOM 1613 CA GLN 103 21.517 -37.774 25.512 1.00 4.54 ATOM 1614 HA GLN 103 22.238 -37.653 26.308 1.00 5.34 ATOM 1615 CB GLN 103 21.549 -39.230 25.019 1.00 22.32 ATOM 1616 HB1 GLN 103 22.565 -39.479 24.743 1.00 38.50 ATOM 1617 HB2 GLN 103 20.922 -39.311 24.142 1.00 73.13 ATOM 1618 CG GLN 103 21.065 -40.260 26.040 1.00 71.54 ATOM 1619 HG1 GLN 103 21.091 -41.238 25.579 1.00 38.50 ATOM 1620 HG2 GLN 103 20.047 -40.024 26.312 1.00 40.53 ATOM 1621 CD GLN 103 21.903 -40.304 27.310 1.00 11.32 ATOM 1622 OE1 GLN 103 23.091 -40.008 27.301 1.00 20.14 ATOM 1623 NE2 GLN 103 21.290 -40.701 28.408 1.00 3.24 ATOM 1624 HE21 GLN 103 20.346 -40.948 28.347 1.00 65.15 ATOM 1625 HE22 GLN 103 21.808 -40.728 29.242 1.00 23.12 ATOM 1626 C GLN 103 21.890 -36.832 24.354 1.00 60.32 ATOM 1627 O GLN 103 23.061 -36.700 23.991 1.00 53.32 ATOM 1628 N GLY 104 20.877 -36.185 23.775 1.00 43.42 ATOM 1629 HN GLY 104 19.965 -36.349 24.095 1.00 38.50 ATOM 1630 CA GLY 104 21.098 -35.245 22.682 1.00 44.12 ATOM 1631 HA1 GLY 104 21.931 -34.604 22.935 1.00 38.50 ATOM 1632 HA2 GLY 104 20.214 -34.634 22.572 1.00 4.42 ATOM 1633 C GLY 104 21.387 -35.929 21.349 1.00 61.43 ATOM 1634 O GLY 104 22.190 -35.433 20.557 1.00 3.32 ATOM 1635 N GLN 105 20.730 -37.062 21.094 1.00 74.12 ATOM 1636 HN GLN 105 20.082 -37.393 21.751 1.00 38.50 ATOM 1637 CA GLN 105 20.950 -37.822 19.855 1.00 42.24 ATOM 1638 HA GLN 105 22.020 -37.904 19.713 1.00 32.13 ATOM 1639 CB GLN 105 20.367 -39.237 19.974 1.00 21.11 ATOM 1640 HB1 GLN 105 20.512 -39.753 19.035 1.00 38.50 ATOM 1641 HB2 GLN 105 19.306 -39.162 20.171 1.00 75.11 ATOM 1642 CG GLN 105 21.002 -40.072 21.081 1.00 42.01 ATOM 1643 HG1 GLN 105 20.750 -39.633 22.037 1.00 38.50 ATOM 1644 HG2 GLN 105 22.076 -40.057 20.955 1.00 70.40 ATOM 1645 CD GLN 105 20.534 -41.517 21.071 1.00 74.32 ATOM 1646 OE1 GLN 105 19.545 -41.872 21.704 1.00 22.34 ATOM 1647 NE2 GLN 105 21.236 -42.360 20.340 1.00 40.14 ATOM 1648 HE21 GLN 105 22.010 -42.015 19.847 1.00 2.11 ATOM 1649 HE22 GLN 105 20.959 -43.298 20.324 1.00 42.22 ATOM 1650 C GLN 105 20.355 -37.106 18.629 1.00 42.44 ATOM 1651 O GLN 105 21.088 -36.686 17.732 1.00 1.23 ATOM 1652 N ASN 106 19.027 -36.980 18.584 1.00 72.54 ATOM 1653 HN ASN 106 18.485 -37.380 19.297 1.00 38.50 ATOM 1654 CA ASN 106 18.355 -36.265 17.489 1.00 2.41 ATOM 1655 HA ASN 106 19.117 -35.787 16.886 1.00 43.42 ATOM 1656 CB ASN 106 17.568 -37.241 16.604 1.00 33.30 ATOM 1657 HB1 ASN 106 17.172 -36.707 15.752 1.00 38.50 ATOM 1658 HB2 ASN 106 16.747 -37.654 17.173 1.00 3.13 ATOM 1659 CG ASN 106 18.423 -38.386 16.096 1.00 53.45 ATOM 1660 OD1 ASN 106 19.059 -38.292 15.050 1.00 43.53 ATOM 1661 ND2 ASN 106 18.445 -39.481 16.829 1.00 61.14 ATOM 1662 HD21 ASN 106 17.913 -39.499 17.654 1.00 24.31 ATOM 1663 HD22 ASN 106 18.989 -40.230 16.518 1.00 4.12 ATOM 1664 C ASN 106 17.414 -35.179 18.033 1.00 23.15 ATOM 1665 O ASN 106 16.216 -35.414 18.225 1.00 35.15 ATOM 1666 N PHE 107 17.965 -33.993 18.297 1.00 21.24 ATOM 1667 HN PHE 107 18.929 -33.871 18.147 1.00 38.50 ATOM 1668 CA PHE 107 17.176 -32.874 18.827 1.00 20.41 ATOM 1669 HA PHE 107 16.648 -33.236 19.700 1.00 22.32 ATOM 1670 CB PHE 107 18.099 -31.720 19.258 1.00 35.30 ATOM 1671 HB1 PHE 107 18.637 -31.356 18.394 1.00 38.50 ATOM 1672 HB2 PHE 107 18.810 -32.089 19.984 1.00 34.03 ATOM 1673 CG PHE 107 17.364 -30.554 19.878 1.00 24.34 ATOM 1674 CD1 PHE 107 16.945 -30.606 21.199 1.00 51.02 ATOM 1675 HD1 PHE 107 17.155 -31.488 21.787 1.00 42.11 ATOM 1676 CD2 PHE 107 17.085 -29.412 19.136 1.00 14.32 ATOM 1677 HD2 PHE 107 17.405 -29.357 18.105 1.00 12.44 ATOM 1678 CE1 PHE 107 16.268 -29.545 21.767 1.00 65.01 ATOM 1679 HE1 PHE 107 15.948 -29.598 22.796 1.00 31.51 ATOM 1680 CE2 PHE 107 16.409 -28.351 19.702 1.00 24.45 ATOM 1681 HE2 PHE 107 16.198 -27.468 19.114 1.00 63.45 ATOM 1682 CZ PHE 107 15.999 -28.418 21.018 1.00 30.42 ATOM 1683 HZ PHE 107 15.469 -27.589 21.463 1.00 62.41 ATOM 1684 C PHE 107 16.141 -32.371 17.808 1.00 55.22 ATOM 1685 O PHE 107 15.115 -31.809 18.185 1.00 63.11 ATOM 1686 N ASN 108 16.409 -32.586 16.520 1.00 34.53 ATOM 1687 HN ASN 108 17.233 -33.057 16.281 1.00 38.50 ATOM 1688 CA ASN 108 15.505 -32.136 15.453 1.00 34.40 ATOM 1689 HA ASN 108 15.455 -31.057 15.510 1.00 44.30 ATOM 1690 CB ASN 108 16.062 -32.526 14.074 1.00 74.25 ATOM 1691 HB1 ASN 108 17.036 -32.072 13.948 1.00 38.50 ATOM 1692 HB2 ASN 108 15.399 -32.154 13.306 1.00 22.52 ATOM 1693 CG ASN 108 16.209 -34.026 13.895 1.00 62.32 ATOM 1694 OD1 ASN 108 16.433 -34.762 14.851 1.00 65.31 ATOM 1695 ND2 ASN 108 16.090 -34.493 12.670 1.00 3.31 ATOM 1696 HD21 ASN 108 15.917 -33.858 11.946 1.00 2.12 ATOM 1697 HD22 ASN 108 16.173 -35.459 12.537 1.00 71.21 ATOM 1698 C ASN 108 14.081 -32.694 15.641 1.00 74.41 ATOM 1699 O ASN 108 13.095 -31.982 15.437 1.00 73.24 ATOM 1700 N LYS 109 13.980 -33.964 16.046 1.00 34.01 ATOM 1701 HN LYS 109 14.799 -34.498 16.149 1.00 38.50 ATOM 1702 CA LYS 109 12.679 -34.583 16.335 1.00 41.55 ATOM 1703 HA LYS 109 12.044 -34.441 15.470 1.00 62.00 ATOM 1704 CB LYS 109 12.836 -36.089 16.598 1.00 14.52 ATOM 1705 HB1 LYS 109 11.861 -36.509 16.812 1.00 38.50 ATOM 1706 HB2 LYS 109 13.470 -36.226 17.462 1.00 42.13 ATOM 1707 CG LYS 109 13.443 -36.866 15.431 1.00 11.41 ATOM 1708 HG1 LYS 109 14.447 -36.505 15.256 1.00 38.50 ATOM 1709 HG2 LYS 109 12.841 -36.702 14.548 1.00 2.11 ATOM 1710 CD LYS 109 13.500 -38.365 15.721 1.00 72.54 ATOM 1711 HD1 LYS 109 13.956 -38.868 14.880 1.00 38.50 ATOM 1712 HD2 LYS 109 12.494 -38.735 15.861 1.00 5.24 ATOM 1713 CE LYS 109 14.313 -38.657 16.974 1.00 74.30 ATOM 1714 HE1 LYS 109 13.878 -38.119 17.805 1.00 38.50 ATOM 1715 HE2 LYS 109 15.325 -38.313 16.820 1.00 45.12 ATOM 1716 NZ LYS 109 14.351 -40.101 17.306 1.00 34.24 ATOM 1717 HZ1 LYS 109 14.888 -40.249 18.187 1.00 31.12 ATOM 1718 HZ2 LYS 109 14.806 -40.636 16.542 1.00 52.10 ATOM 1719 HZ3 LYS 109 13.388 -40.462 17.440 1.00 65.13 ATOM 1720 C LYS 109 12.016 -33.913 17.549 1.00 42.20 ATOM 1721 O LYS 109 10.807 -33.674 17.564 1.00 12.33 ATOM 1722 N VAL 110 12.826 -33.605 18.562 1.00 51.04 ATOM 1723 HN VAL 110 13.776 -33.833 18.494 1.00 38.50 ATOM 1724 CA VAL 110 12.340 -32.925 19.768 1.00 3.15 ATOM 1725 HA VAL 110 11.557 -33.533 20.205 1.00 2.21 ATOM 1726 CB VAL 110 13.472 -32.754 20.815 1.00 20.23 ATOM 1727 HB VAL 110 14.202 -32.067 20.408 1.00 34.22 ATOM 1728 CG1 VAL 110 12.930 -32.149 22.111 1.00 3.21 ATOM 1729 HG11 VAL 110 13.731 -32.059 22.831 1.00 14.14 ATOM 1730 HG12 VAL 110 12.156 -32.787 22.513 1.00 11.40 ATOM 1731 HG13 VAL 110 12.518 -31.170 21.908 1.00 20.12 ATOM 1732 CG2 VAL 110 14.175 -34.085 21.079 1.00 43.30 ATOM 1733 HG21 VAL 110 13.463 -34.800 21.463 1.00 3.23 ATOM 1734 HG22 VAL 110 14.965 -33.941 21.803 1.00 14.33 ATOM 1735 HG23 VAL 110 14.597 -34.460 20.157 1.00 43.11 ATOM 1736 C VAL 110 11.771 -31.542 19.423 1.00 24.21 ATOM 1737 O VAL 110 10.629 -31.223 19.751 1.00 10.44 ATOM 1738 N LEU 111 12.584 -30.730 18.749 1.00 34.00 ATOM 1739 HN LEU 111 13.486 -31.042 18.534 1.00 38.50 ATOM 1740 CA LEU 111 12.178 -29.389 18.322 1.00 42.13 ATOM 1741 HA LEU 111 11.956 -28.814 19.210 1.00 72.04 ATOM 1742 CB LEU 111 13.326 -28.710 17.564 1.00 30.34 ATOM 1743 HB1 LEU 111 13.543 -29.298 16.683 1.00 38.50 ATOM 1744 HB2 LEU 111 14.200 -28.715 18.202 1.00 31.20 ATOM 1745 CG LEU 111 13.060 -27.259 17.124 1.00 1.12 ATOM 1746 HG LEU 111 12.173 -27.237 16.505 1.00 42.20 ATOM 1747 CD1 LEU 111 12.800 -26.368 18.336 1.00 0.24 ATOM 1748 HD11 LEU 111 13.664 -26.380 18.986 1.00 41.12 ATOM 1749 HD12 LEU 111 11.941 -26.737 18.876 1.00 72.40 ATOM 1750 HD13 LEU 111 12.610 -25.356 18.009 1.00 63.41 ATOM 1751 CD2 LEU 111 14.227 -26.725 16.293 1.00 61.02 ATOM 1752 HD21 LEU 111 14.363 -27.347 15.420 1.00 44.35 ATOM 1753 HD22 LEU 111 15.130 -26.736 16.886 1.00 45.24 ATOM 1754 HD23 LEU 111 14.015 -25.712 15.981 1.00 20.10 ATOM 1755 C LEU 111 10.921 -29.440 17.439 1.00 34.23 ATOM 1756 O LEU 111 9.983 -28.669 17.637 1.00 62.14 ATOM 1757 N SER 112 10.909 -30.357 16.469 1.00 71.31 ATOM 1758 HN SER 112 11.702 -30.922 16.339 1.00 38.50 ATOM 1759 CA SER 112 9.744 -30.542 15.584 1.00 72.03 ATOM 1760 HA SER 112 9.595 -29.619 15.041 1.00 11.03 ATOM 1761 CB SER 112 10.005 -31.673 14.580 1.00 32.24 ATOM 1762 HB1 SER 112 10.157 -32.600 15.114 1.00 38.50 ATOM 1763 HB2 SER 112 10.888 -31.443 14.003 1.00 53.55 ATOM 1764 OG SER 112 8.912 -31.834 13.688 1.00 12.12 ATOM 1765 HG SER 112 8.820 -32.768 13.456 1.00 40.13 ATOM 1766 C SER 112 8.473 -30.848 16.393 1.00 61.41 ATOM 1767 O SER 112 7.384 -30.350 16.085 1.00 75.43 ATOM 1768 N SER 113 8.625 -31.662 17.436 1.00 2.33 ATOM 1769 HN SER 113 9.506 -32.065 17.599 1.00 38.50 ATOM 1770 CA SER 113 7.516 -31.984 18.345 1.00 0.32 ATOM 1771 HA SER 113 6.696 -32.363 17.747 1.00 44.11 ATOM 1772 CB SER 113 7.946 -33.069 19.343 1.00 41.23 ATOM 1773 HB1 SER 113 8.749 -32.691 19.958 1.00 38.50 ATOM 1774 HB2 SER 113 8.291 -33.938 18.800 1.00 11.41 ATOM 1775 OG SER 113 6.872 -33.459 20.185 1.00 15.10 ATOM 1776 HG SER 113 6.395 -34.191 19.775 1.00 45.03 ATOM 1777 C SER 113 7.037 -30.735 19.103 1.00 40.10 ATOM 1778 O SER 113 5.837 -30.507 19.246 1.00 55.14 ATOM 1779 N LEU 114 7.988 -29.920 19.566 1.00 2.21 ATOM 1780 HN LEU 114 8.929 -30.167 19.432 1.00 38.50 ATOM 1781 CA LEU 114 7.675 -28.671 20.277 1.00 43.44 ATOM 1782 HA LEU 114 7.040 -28.922 21.116 1.00 65.52 ATOM 1783 CB LEU 114 8.963 -28.024 20.808 1.00 0.02 ATOM 1784 HB1 LEU 114 8.698 -27.097 21.298 1.00 38.50 ATOM 1785 HB2 LEU 114 9.599 -27.796 19.964 1.00 3.52 ATOM 1786 CG LEU 114 9.768 -28.880 21.803 1.00 61.35 ATOM 1787 HG LEU 114 10.024 -29.819 21.331 1.00 31.22 ATOM 1788 CD1 LEU 114 11.070 -28.182 22.186 1.00 31.24 ATOM 1789 HD11 LEU 114 11.663 -28.012 21.299 1.00 43.25 ATOM 1790 HD12 LEU 114 11.625 -28.805 22.873 1.00 75.32 ATOM 1791 HD13 LEU 114 10.849 -27.235 22.658 1.00 13.55 ATOM 1792 CD2 LEU 114 8.933 -29.192 23.045 1.00 10.32 ATOM 1793 HD21 LEU 114 8.050 -29.745 22.757 1.00 35.45 ATOM 1794 HD22 LEU 114 8.636 -28.270 23.524 1.00 30.33 ATOM 1795 HD23 LEU 114 9.517 -29.784 23.736 1.00 54.34 ATOM 1796 C LEU 114 6.925 -27.678 19.370 1.00 44.22 ATOM 1797 O LEU 114 5.941 -27.060 19.785 1.00 24.04 ATOM 1798 N VAL 115 7.396 -27.530 18.132 1.00 60.34 ATOM 1799 HN VAL 115 8.209 -28.014 17.873 1.00 38.50 ATOM 1800 CA VAL 115 6.734 -26.662 17.150 1.00 23.43 ATOM 1801 HA VAL 115 6.699 -25.662 17.562 1.00 11.13 ATOM 1802 CB VAL 115 7.521 -26.612 15.812 1.00 71.30 ATOM 1803 HB VAL 115 7.578 -27.617 15.415 1.00 51.34 ATOM 1804 CG1 VAL 115 6.802 -25.736 14.785 1.00 14.23 ATOM 1805 HG11 VAL 115 7.381 -25.696 13.873 1.00 22.01 ATOM 1806 HG12 VAL 115 6.686 -24.736 15.180 1.00 14.54 ATOM 1807 HG13 VAL 115 5.828 -26.153 14.574 1.00 52.24 ATOM 1808 CG2 VAL 115 8.945 -26.111 16.047 1.00 12.41 ATOM 1809 HG21 VAL 115 9.460 -26.784 16.717 1.00 61.24 ATOM 1810 HG22 VAL 115 8.914 -25.123 16.485 1.00 74.22 ATOM 1811 HG23 VAL 115 9.475 -26.068 15.105 1.00 12.42 ATOM 1812 C VAL 115 5.297 -27.137 16.884 1.00 52.21 ATOM 1813 O VAL 115 4.355 -26.339 16.870 1.00 30.11 ATOM 1814 N THR 116 5.136 -28.446 16.685 1.00 62.21 ATOM 1815 HN THR 116 5.930 -29.021 16.641 1.00 38.50 ATOM 1816 CA THR 116 3.804 -29.047 16.528 1.00 63.43 ATOM 1817 HA THR 116 3.326 -28.578 15.678 1.00 55.52 ATOM 1818 CB THR 116 3.879 -30.573 16.266 1.00 14.33 ATOM 1819 HB THR 116 4.375 -31.044 17.106 1.00 25.20 ATOM 1820 OG1 THR 116 4.637 -30.839 15.071 1.00 34.30 ATOM 1821 HG1 THR 116 5.582 -30.806 15.274 1.00 32.22 ATOM 1822 CG2 THR 116 2.481 -31.175 16.124 1.00 11.02 ATOM 1823 HG21 THR 116 1.920 -31.013 17.037 1.00 41.30 ATOM 1824 HG22 THR 116 2.561 -32.236 15.939 1.00 35.13 ATOM 1825 HG23 THR 116 1.966 -30.705 15.299 1.00 42.13 ATOM 1826 C THR 116 2.946 -28.804 17.776 1.00 1.34 ATOM 1827 O THR 116 1.771 -28.456 17.674 1.00 13.21 ATOM 1828 N LEU 117 3.557 -28.981 18.950 1.00 15.31 ATOM 1829 HN LEU 117 4.491 -29.279 18.954 1.00 38.50 ATOM 1830 CA LEU 117 2.891 -28.741 20.236 1.00 62.12 ATOM 1831 HA LEU 117 2.106 -29.478 20.346 1.00 72.44 ATOM 1832 CB LEU 117 3.904 -28.916 21.379 1.00 0.31 ATOM 1833 HB1 LEU 117 4.725 -28.234 21.207 1.00 38.50 ATOM 1834 HB2 LEU 117 4.287 -29.926 21.336 1.00 41.24 ATOM 1835 CG LEU 117 3.362 -28.662 22.796 1.00 1.13 ATOM 1836 HG LEU 117 2.934 -27.669 22.834 1.00 32.12 ATOM 1837 CD1 LEU 117 2.257 -29.653 23.146 1.00 50.10 ATOM 1838 HD11 LEU 117 1.448 -29.554 22.438 1.00 3.00 ATOM 1839 HD12 LEU 117 1.890 -29.447 24.141 1.00 34.04 ATOM 1840 HD13 LEU 117 2.647 -30.661 23.108 1.00 33.11 ATOM 1841 CD2 LEU 117 4.487 -28.724 23.827 1.00 50.41 ATOM 1842 HD21 LEU 117 4.933 -29.709 23.822 1.00 71.51 ATOM 1843 HD22 LEU 117 4.087 -28.516 24.809 1.00 64.05 ATOM 1844 HD23 LEU 117 5.240 -27.988 23.584 1.00 64.13 ATOM 1845 C LEU 117 2.269 -27.336 20.286 1.00 44.21 ATOM 1846 O LEU 117 1.137 -27.157 20.736 1.00 35.45 ATOM 1847 N ASN 118 3.022 -26.345 19.818 1.00 5.24 ATOM 1848 HN ASN 118 3.949 -26.538 19.553 1.00 38.50 ATOM 1849 CA ASN 118 2.516 -24.972 19.708 1.00 11.12 ATOM 1850 HA ASN 118 2.151 -24.676 20.682 1.00 0.13 ATOM 1851 CB ASN 118 3.648 -24.022 19.289 1.00 40.03 ATOM 1852 HB1 ASN 118 4.042 -24.342 18.335 1.00 38.50 ATOM 1853 HB2 ASN 118 4.437 -24.062 20.028 1.00 64.23 ATOM 1854 CG ASN 118 3.180 -22.580 19.156 1.00 32.22 ATOM 1855 OD1 ASN 118 2.725 -22.157 18.100 1.00 71.15 ATOM 1856 ND2 ASN 118 3.290 -21.813 20.221 1.00 13.42 ATOM 1857 HD21 ASN 118 3.663 -22.201 21.037 1.00 53.35 ATOM 1858 HD22 ASN 118 2.990 -20.882 20.152 1.00 5.12 ATOM 1859 C ASN 118 1.359 -24.883 18.696 1.00 53.13 ATOM 1860 O ASN 118 0.286 -24.366 19.006 1.00 52.24 ATOM 1861 N LYS 119 1.589 -25.404 17.492 1.00 14.23 ATOM 1862 HN LYS 119 2.442 -25.863 17.332 1.00 38.50 ATOM 1863 CA LYS 119 0.611 -25.320 16.395 1.00 60.34 ATOM 1864 HA LYS 119 0.457 -24.274 16.178 1.00 45.43 ATOM 1865 CB LYS 119 1.171 -26.005 15.142 1.00 72.34 ATOM 1866 HB1 LYS 119 0.401 -26.026 14.382 1.00 38.50 ATOM 1867 HB2 LYS 119 1.440 -27.023 15.394 1.00 41.41 ATOM 1868 CG LYS 119 2.401 -25.317 14.559 1.00 4.44 ATOM 1869 HG1 LYS 119 3.134 -25.189 15.344 1.00 38.50 ATOM 1870 HG2 LYS 119 2.114 -24.348 14.175 1.00 74.11 ATOM 1871 CD LYS 119 3.026 -26.129 13.427 1.00 44.31 ATOM 1872 HD1 LYS 119 3.330 -27.093 13.815 1.00 38.50 ATOM 1873 HD2 LYS 119 3.894 -25.602 13.060 1.00 72.44 ATOM 1874 CE LYS 119 2.060 -26.346 12.265 1.00 74.32 ATOM 1875 HE1 LYS 119 1.183 -26.862 12.631 1.00 38.50 ATOM 1876 HE2 LYS 119 2.546 -26.955 11.518 1.00 54.31 ATOM 1877 NZ LYS 119 1.639 -25.064 11.637 1.00 3.34 ATOM 1878 HZ1 LYS 119 1.082 -25.253 10.781 1.00 65.41 ATOM 1879 HZ2 LYS 119 2.471 -24.500 11.377 1.00 61.04 ATOM 1880 HZ3 LYS 119 1.055 -24.511 12.297 1.00 2.32 ATOM 1881 C LYS 119 -0.746 -25.947 16.760 1.00 2.40 ATOM 1882 O LYS 119 -1.799 -25.406 16.416 1.00 51.12 ATOM 1883 N VAL 120 -0.721 -27.091 17.439 1.00 63.25 ATOM 1884 HN VAL 120 0.143 -27.479 17.691 1.00 38.50 ATOM 1885 CA VAL 120 -1.959 -27.783 17.814 1.00 4.30 ATOM 1886 HA VAL 120 -2.606 -27.770 16.945 1.00 62.44 ATOM 1887 CB VAL 120 -1.704 -29.274 18.186 1.00 61.34 ATOM 1888 HB VAL 120 -2.644 -29.711 18.499 1.00 75.41 ATOM 1889 CG1 VAL 120 -1.210 -30.053 16.969 1.00 73.23 ATOM 1890 HG11 VAL 120 -0.287 -29.617 16.610 1.00 42.03 ATOM 1891 HG12 VAL 120 -1.955 -30.010 16.188 1.00 33.15 ATOM 1892 HG13 VAL 120 -1.037 -31.084 17.243 1.00 64.00 ATOM 1893 CG2 VAL 120 -0.711 -29.404 19.340 1.00 73.32 ATOM 1894 HG21 VAL 120 -1.095 -28.885 20.207 1.00 31.11 ATOM 1895 HG22 VAL 120 0.237 -28.972 19.055 1.00 3.31 ATOM 1896 HG23 VAL 120 -0.570 -30.449 19.582 1.00 31.24 ATOM 1897 C VAL 120 -2.692 -27.068 18.962 1.00 21.24 ATOM 1898 O VAL 120 -3.885 -26.788 18.861 1.00 34.40 ATOM 1899 N THR 121 -1.972 -26.732 20.032 1.00 4.32 ATOM 1900 HN THR 121 -1.000 -26.881 20.022 1.00 38.50 ATOM 1901 CA THR 121 -2.597 -26.126 21.222 1.00 34.34 ATOM 1902 HA THR 121 -3.461 -26.727 21.477 1.00 4.15 ATOM 1903 CB THR 121 -1.642 -26.127 22.437 1.00 42.01 ATOM 1904 HB THR 121 -2.143 -25.656 23.273 1.00 61.30 ATOM 1905 OG1 THR 121 -0.450 -25.388 22.132 1.00 20.50 ATOM 1906 HG1 THR 121 0.281 -26.001 21.992 1.00 4.03 ATOM 1907 CG2 THR 121 -1.273 -27.554 22.835 1.00 15.35 ATOM 1908 HG21 THR 121 -2.168 -28.099 23.101 1.00 71.44 ATOM 1909 HG22 THR 121 -0.602 -27.531 23.682 1.00 23.34 ATOM 1910 HG23 THR 121 -0.786 -28.043 22.005 1.00 33.23 ATOM 1911 C THR 121 -3.066 -24.689 20.960 1.00 1.13 ATOM 1912 O THR 121 -4.155 -24.296 21.388 1.00 22.03 ATOM 1913 N ALA 122 -2.251 -23.910 20.252 1.00 24.32 ATOM 1914 HN ALA 122 -1.390 -24.273 19.943 1.00 38.50 ATOM 1915 CA ALA 122 -2.604 -22.527 19.919 1.00 1.41 ATOM 1916 HA ALA 122 -2.756 -21.993 20.849 1.00 64.20 ATOM 1917 CB ALA 122 -1.461 -21.851 19.168 1.00 10.23 ATOM 1918 HB1 ALA 122 -0.564 -21.882 19.771 1.00 12.13 ATOM 1919 HB2 ALA 122 -1.719 -20.822 18.963 1.00 40.15 ATOM 1920 HB3 ALA 122 -1.284 -22.370 18.237 1.00 12.51 ATOM 1921 C ALA 122 -3.898 -22.463 19.096 1.00 51.23 ATOM 1922 O ALA 122 -4.762 -21.616 19.338 1.00 74.20 ATOM 1923 N ASP 123 -4.034 -23.374 18.132 1.00 13.31 ATOM 1924 HN ASP 123 -3.311 -24.018 17.980 1.00 38.50 ATOM 1925 CA ASP 123 -5.230 -23.430 17.289 1.00 3.04 ATOM 1926 HA ASP 123 -5.391 -22.440 16.886 1.00 12.33 ATOM 1927 CB ASP 123 -5.014 -24.406 16.129 1.00 3.12 ATOM 1928 HB1 ASP 123 -4.997 -25.417 16.514 1.00 38.50 ATOM 1929 HB2 ASP 123 -4.065 -24.193 15.655 1.00 54.23 ATOM 1930 CG ASP 123 -6.108 -24.304 15.081 1.00 23.12 ATOM 1931 OD1 ASP 123 -7.095 -25.062 15.164 1.00 13.22 ATOM 1932 OD2 ASP 123 -5.991 -23.453 14.174 1.00 33.13 ATOM 1933 C ASP 123 -6.474 -23.838 18.107 1.00 62.41 ATOM 1934 O ASP 123 -7.568 -23.316 17.885 1.00 73.02 ATOM 1935 N ILE 124 -6.297 -24.768 19.051 1.00 62.20 ATOM 1936 HN ILE 124 -5.417 -25.195 19.140 1.00 38.50 ATOM 1937 CA ILE 124 -7.390 -25.184 19.950 1.00 52.54 ATOM 1938 HA ILE 124 -8.167 -25.631 19.341 1.00 43.52 ATOM 1939 CB ILE 124 -6.906 -26.243 20.979 1.00 32.54 ATOM 1940 HB ILE 124 -6.061 -25.827 21.512 1.00 13.03 ATOM 1941 CG1 ILE 124 -6.458 -27.527 20.262 1.00 53.02 ATOM 1942 HG11 ILE 124 -5.683 -27.280 19.552 1.00 38.50 ATOM 1943 HG12 ILE 124 -7.298 -27.952 19.735 1.00 62.41 ATOM 1944 CG2 ILE 124 -7.999 -26.555 22.005 1.00 33.11 ATOM 1945 HG21 ILE 124 -7.642 -27.304 22.696 1.00 33.22 ATOM 1946 HG22 ILE 124 -8.879 -26.924 21.498 1.00 33.41 ATOM 1947 HG23 ILE 124 -8.251 -25.656 22.551 1.00 33.25 ATOM 1948 CD1 ILE 124 -5.911 -28.592 21.192 1.00 5.14 ATOM 1949 HD11 ILE 124 -6.668 -28.863 21.914 1.00 2.50 ATOM 1950 HD12 ILE 124 -5.042 -28.210 21.708 1.00 31.31 ATOM 1951 HD13 ILE 124 -5.634 -29.465 20.618 1.00 50.04 ATOM 1952 C ILE 124 -7.984 -23.982 20.708 1.00 62.21 ATOM 1953 O ILE 124 -9.192 -23.917 20.951 1.00 22.25 ATOM 1954 N GLY 125 -7.127 -23.037 21.083 1.00 15.34 ATOM 1955 HN GLY 125 -6.173 -23.151 20.882 1.00 38.50 ATOM 1956 CA GLY 125 -7.583 -21.842 21.786 1.00 23.20 ATOM 1957 HA1 GLY 125 -8.659 -21.767 21.696 1.00 38.50 ATOM 1958 HA2 GLY 125 -7.138 -20.976 21.319 1.00 21.41 ATOM 1959 C GLY 125 -7.213 -21.847 23.265 1.00 70.50 ATOM 1960 O GLY 125 -7.935 -22.411 24.094 1.00 60.43 ATOM 1961 N LEU 126 -6.081 -21.227 23.588 1.00 43.21 ATOM 1962 HN LEU 126 -5.546 -20.825 22.875 1.00 38.50 ATOM 1963 HA LEU 126 -5.899 -22.028 25.495 1.00 11.42 ATOM 1964 CB LEU 126 -4.071 -21.026 24.994 1.00 72.12 ATOM 1965 HB1 LEU 126 -3.746 -20.974 26.024 1.00 38.50 ATOM 1966 HB2 LEU 126 -3.786 -20.106 24.500 1.00 35.01 ATOM 1967 CG LEU 126 -3.328 -22.190 24.315 1.00 21.41 ATOM 1968 HG LEU 126 -3.642 -22.254 23.282 1.00 1.40 ATOM 1969 CD1 LEU 126 -1.822 -21.944 24.327 1.00 32.24 ATOM 1970 HD11 LEU 126 -1.478 -21.852 25.348 1.00 5.51 ATOM 1971 HD12 LEU 126 -1.600 -21.033 23.791 1.00 25.22 ATOM 1972 HD13 LEU 126 -1.317 -22.772 23.851 1.00 54.45 ATOM 1973 CD2 LEU 126 -3.664 -23.520 24.995 1.00 53.12 ATOM 1974 HD21 LEU 126 -3.138 -24.323 24.499 1.00 21.51 ATOM 1975 HD22 LEU 126 -4.728 -23.699 24.933 1.00 73.41 ATOM 1976 HD23 LEU 126 -3.366 -23.482 26.033 1.00 14.15 ATOM 1977 CA LEU 126 -5.604 -21.126 24.976 1.00 52.51 ATOM 1978 C LEU 126 -6.228 -19.912 25.694 1.00 40.31 ATOM 1979 OT1 LEU 126 -5.770 -18.768 25.453 1.00 38.50 ATOM 1980 OT2 LEU 126 -7.181 -20.106 26.485 1.00 38.50 ATOM 1981 OH2 TIP3 1 -2.470 -43.898 14.714 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -3.399 -43.591 14.862 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -2.148 -43.338 13.974 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -4.912 -48.688 19.430 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -4.264 -48.338 18.784 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -5.091 -49.580 19.126 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -5.974 -39.557 17.303 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -5.800 -39.912 16.401 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.092 -40.360 17.857 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -1.995 -46.515 15.313 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -2.197 -45.571 15.107 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -2.124 -46.972 14.474 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -2.849 -40.399 14.167 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -2.325 -41.045 13.656 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -2.242 -39.639 14.286 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -3.749 -43.127 18.293 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -4.488 -42.528 18.513 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -4.173 -44.003 18.209 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.037 -43.054 15.201 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -5.750 -43.365 15.791 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.300 -42.143 14.968 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.961 -43.953 17.038 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -7.730 -44.500 16.852 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -6.323 -44.571 17.468 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -7.635 -45.381 20.901 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -8.568 -45.512 21.084 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.520 -44.405 20.920 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -3.199 -47.350 17.697 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -2.816 -47.203 16.807 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -2.638 -46.804 18.289 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -1.043 -38.409 14.592 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -0.189 -38.684 14.212 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -0.832 -38.186 15.523 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -1.352 -42.225 12.721 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -0.408 -41.954 12.811 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -1.478 -42.325 11.771 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 0.108 -45.985 17.060 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 0.994 -46.262 16.789 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -0.474 -46.297 16.339 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 3.680 -46.932 14.261 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 3.480 -47.132 15.198 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 4.646 -47.035 14.197 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.452 -40.326 14.729 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.796 -39.757 14.023 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -4.476 -40.351 14.562 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -5.273 -37.550 13.206 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -5.161 -36.626 12.959 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -5.417 -37.522 14.173 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 1.198 -41.231 12.632 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 0.937 -40.318 12.371 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 2.034 -41.390 12.141 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -1.361 -45.067 26.109 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -1.688 -44.391 25.483 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -1.424 -45.907 25.601 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -11.191 -39.851 23.720 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -11.482 -40.489 24.380 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.983 -39.665 23.201 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -4.283 -37.879 28.602 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.329 -37.001 28.991 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -3.844 -38.425 29.294 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -3.235 -39.307 30.699 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -3.121 -40.265 30.544 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -3.393 -39.240 31.664 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.871 -42.000 21.738 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -1.183 -42.399 21.162 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -1.702 -41.041 21.677 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -1.302 -46.511 31.371 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -1.683 -46.349 30.490 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.911 -46.060 31.978 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -2.177 -43.832 23.707 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -2.618 -44.521 23.178 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -2.204 -43.034 23.127 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -6.741 -39.104 28.373 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -5.886 -38.626 28.305 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -6.481 -40.022 28.604 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -5.110 -46.386 20.889 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -6.054 -46.134 21.017 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -5.151 -47.307 20.544 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -9.987 -37.434 24.527 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -10.269 -38.328 24.247 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -9.600 -37.573 25.424 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -1.666 -41.450 34.642 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -1.002 -41.258 35.346 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -2.347 -41.977 35.104 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -8.328 -35.459 23.475 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -8.820 -36.199 23.892 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -8.094 -35.802 22.580 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -5.125 -45.491 18.283 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.572 -46.222 17.936 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -5.167 -45.664 19.249 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -2.614 -45.429 29.116 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -2.129 -44.627 28.837 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -2.797 -45.894 28.289 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.410 -42.647 21.121 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.259 -42.169 21.299 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.792 -42.270 21.758 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.887 -41.502 29.519 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -5.755 -41.195 30.445 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -6.487 -42.249 29.606 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -2.539 -45.841 21.627 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -3.501 -46.027 21.520 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -2.216 -45.736 20.706 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -3.534 -39.823 33.427 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -3.988 -39.607 34.268 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -2.762 -40.360 33.709 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -5.155 -43.489 33.538 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.498 -43.955 32.982 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -5.187 -44.012 34.356 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.589 -41.165 21.761 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -10.044 -40.703 22.484 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.582 -40.507 21.025 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -6.007 -38.538 20.409 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.677 -39.044 19.659 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -5.314 -38.636 21.092 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -5.800 -43.641 36.587 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -4.967 -43.159 36.432 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -5.644 -44.118 37.426 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.241 -41.891 18.709 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.686 -42.094 19.559 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.619 -42.545 18.081 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -9.499 -39.110 20.005 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -9.118 -38.326 20.416 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -9.283 -39.007 19.052 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.875 -44.945 37.325 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -3.338 -45.404 36.593 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -1.936 -45.172 37.194 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 0.092 -44.930 22.592 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -0.454 -45.331 21.894 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -0.553 -44.420 23.130 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -3.103 -41.999 30.087 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -2.433 -42.327 29.451 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -3.917 -41.907 29.556 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -5.671 -41.160 32.257 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -5.593 -42.016 32.747 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -4.926 -40.624 32.600 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 0.326 -43.021 20.413 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 1.112 -42.845 19.851 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 0.654 -43.623 21.097 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -1.709 -45.417 19.030 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -1.897 -44.466 18.970 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -0.935 -45.548 18.432 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -1.328 -46.929 24.084 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.957 -46.929 23.342 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -0.500 -46.623 23.691 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -3.374 -44.390 31.588 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -3.280 -43.452 31.337 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.274 -44.871 30.744 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -9.053 -38.473 35.148 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -8.217 -38.372 35.656 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -8.786 -38.987 34.350 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.953 -39.671 32.940 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -8.069 -39.157 32.116 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -7.179 -40.239 32.759 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -8.699 -35.002 27.860 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -8.729 -34.126 27.427 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -8.784 -34.803 28.800 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -8.290 -38.341 30.509 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -9.167 -38.407 30.113 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -7.678 -38.569 29.773 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.537 -36.430 21.044 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.773 -35.824 21.071 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.148 -37.285 20.755 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.338 -42.367 36.663 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -3.121 -43.282 36.961 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -2.750 -41.788 37.217 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -7.315 -44.412 44.393 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.541 -44.575 43.809 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -7.439 -45.244 44.860 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -8.517 -40.587 42.932 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -9.315 -40.004 42.914 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -8.152 -40.456 43.813 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -6.708 -40.164 40.894 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -7.428 -40.318 41.546 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -7.181 -40.077 40.030 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.942 -42.526 44.758 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.807 -43.227 44.091 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.807 -42.726 45.136 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -8.656 -43.259 42.221 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -8.322 -43.687 43.033 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -8.714 -42.312 42.457 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -10.560 -38.825 43.014 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -11.457 -38.631 43.295 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -10.492 -38.412 42.121 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -10.360 -37.676 40.548 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -10.467 -38.063 39.651 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -9.911 -36.843 40.390 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -4.454 -39.872 36.061 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -4.211 -40.815 36.172 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -4.163 -39.454 36.894 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.107 -46.090 40.663 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.501 -45.466 40.005 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.469 -46.947 40.421 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -5.183 -44.415 42.686 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -5.353 -43.701 42.042 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -4.724 -45.105 42.160 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -5.490 -44.213 39.303 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -5.184 -43.377 39.707 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.475 -44.160 39.363 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -1.358 -45.310 40.437 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.213 -45.758 40.325 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -1.553 -44.587 41.068 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -4.803 -42.128 40.967 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.547 -41.485 40.936 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.000 -41.567 40.877 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -2.685 -35.775 42.319 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -2.128 -36.067 41.568 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -3.570 -35.645 41.922 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.037 -42.112 36.695 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -8.219 -41.976 35.761 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -7.270 -42.732 36.702 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.094 -43.791 39.601 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -8.370 -43.650 40.536 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -8.779 -43.353 39.083 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -3.894 -45.946 34.970 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -3.019 -45.692 34.590 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.178 -46.688 34.433 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 2.623 -40.650 43.160 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 3.294 -41.368 43.117 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 1.966 -40.972 43.806 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -2.421 -40.707 40.776 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.778 -40.053 41.108 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.201 -40.793 39.814 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.344 -43.225 41.888 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.293 -43.252 41.684 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.058 -42.350 41.561 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 2.040 -41.884 38.301 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 1.717 -42.763 38.593 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 1.286 -41.522 37.765 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -4.649 -38.407 41.227 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -4.111 -38.682 41.998 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -5.401 -39.047 41.216 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -7.821 -40.018 38.395 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -7.342 -39.451 37.754 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -7.979 -40.858 37.899 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -7.808 -26.626 8.363 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -8.099 -26.819 7.470 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -8.636 -26.374 8.837 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.299 -21.840 6.997 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.747 -21.872 6.149 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -5.814 -21.174 7.515 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -6.510 -17.892 9.882 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -6.597 -17.025 10.282 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -6.546 -18.508 10.636 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -10.005 -25.996 9.785 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -9.740 -26.268 10.687 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -10.710 -25.333 9.934 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -2.371 -35.684 8.917 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.825 -36.295 9.537 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -1.851 -35.097 9.500 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -3.337 -37.153 11.034 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -4.043 -37.628 11.502 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -2.794 -36.765 11.751 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -11.762 -24.126 10.799 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -12.147 -23.230 10.816 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -12.338 -24.646 11.406 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -13.339 -25.480 12.580 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -12.726 -26.214 12.822 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -14.011 -25.501 13.263 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -6.928 -20.034 8.191 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -7.642 -20.346 8.783 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -6.701 -19.150 8.544 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.943 -34.816 6.393 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -2.553 -35.247 5.791 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -2.167 -35.198 7.277 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 1.357 -30.995 10.673 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 0.431 -30.962 10.992 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 1.299 -30.672 9.758 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -4.351 -29.602 14.965 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -3.874 -28.742 14.932 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -5.134 -29.416 15.531 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -6.659 -26.008 10.789 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -7.457 -26.253 11.285 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.877 -26.235 9.858 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -9.303 -24.282 13.839 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -9.905 -24.160 14.594 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -8.418 -24.431 14.259 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -14.393 -21.202 12.920 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -13.516 -21.195 12.473 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -14.921 -21.800 12.387 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -4.421 -32.390 14.864 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -4.229 -32.380 13.913 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -4.370 -31.443 15.124 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -10.434 -31.275 14.458 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -10.377 -30.327 14.715 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -11.098 -31.291 13.765 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -3.790 -30.438 12.392 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -4.226 -29.780 11.838 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -3.939 -30.118 13.308 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -10.068 -28.691 15.173 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -9.258 -28.274 14.809 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -9.952 -28.623 16.145 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -2.558 -25.155 10.213 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -2.923 -24.582 9.507 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -3.305 -25.271 10.831 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.591 -27.398 13.306 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -10.782 -27.200 12.801 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.268 -27.887 14.090 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -3.393 -23.102 8.487 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -4.215 -22.755 8.060 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -2.717 -22.996 7.810 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -9.633 -22.601 11.743 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -9.391 -23.081 12.565 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.146 -23.256 11.229 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -6.656 -29.007 16.353 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.081 -28.530 17.084 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -7.209 -29.819 16.244 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -3.982 -35.243 14.720 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -4.529 -35.816 15.299 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -4.308 -34.343 14.896 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.693 -19.594 12.141 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -5.878 -19.887 12.603 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -7.034 -18.851 12.696 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -14.335 -19.962 15.331 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -15.080 -19.361 15.354 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -14.410 -20.407 14.455 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -9.116 -26.545 12.308 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -8.561 -27.067 12.935 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -9.248 -25.684 12.769 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -5.953 -33.116 18.916 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -5.034 -32.920 18.628 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -5.860 -33.400 19.835 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -3.304 -27.039 14.728 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -3.671 -26.427 14.080 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -2.857 -26.461 15.377 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -8.149 -31.228 16.035 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -8.968 -31.342 15.505 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.750 -32.120 16.051 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -8.487 -38.394 17.577 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -8.352 -37.507 17.201 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -7.610 -38.817 17.516 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -3.279 -22.431 11.169 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -3.347 -22.503 10.191 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -3.744 -23.234 11.498 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -4.706 -24.614 12.028 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.389 -25.126 11.526 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -5.204 -24.243 12.795 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -0.827 -24.064 12.124 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -1.370 -24.560 11.476 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -1.305 -23.232 12.242 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.681 -27.537 14.324 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -7.158 -28.120 14.913 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -7.438 -26.622 14.617 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -3.555 -32.881 17.600 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -3.049 -33.696 17.796 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -3.504 -32.794 16.636 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -12.125 -21.428 11.470 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -11.252 -21.724 11.799 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -11.922 -20.602 10.972 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -8.645 -21.269 16.718 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -8.104 -21.958 17.162 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -8.298 -21.248 15.798 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -1.926 -36.249 13.203 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -2.601 -35.780 13.745 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -1.753 -37.077 13.702 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -8.560 -20.526 10.358 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -7.857 -20.217 10.966 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -8.927 -21.323 10.804 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -9.170 -25.748 16.740 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -9.717 -24.944 16.772 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.362 -25.470 16.248 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -5.161 -19.678 17.621 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -5.201 -20.320 18.359 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -4.482 -20.054 17.016 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -5.693 -37.121 15.926 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -6.543 -36.676 16.137 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -5.681 -37.904 16.516 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -8.651 -28.602 28.503 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -8.976 -29.099 27.721 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -7.738 -28.896 28.606 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -9.988 -26.241 28.187 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -9.480 -27.044 28.429 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -10.265 -26.410 27.264 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -12.613 -33.811 21.655 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -12.810 -34.478 20.996 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -12.301 -34.325 22.434 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -9.596 -29.716 26.145 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -9.830 -28.787 25.926 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -10.346 -30.246 25.776 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -11.364 -25.797 30.650 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -12.223 -26.275 30.684 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -11.046 -25.938 29.738 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -8.738 -37.635 26.964 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -8.010 -38.094 27.425 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -8.665 -36.700 27.265 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -8.321 -30.467 19.041 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -7.881 -31.062 18.421 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -8.681 -29.753 18.474 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.949 -28.084 23.108 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -11.761 -27.930 22.580 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.399 -28.652 22.539 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -8.396 -24.373 29.640 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -8.970 -24.941 29.083 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.057 -23.694 29.018 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -11.503 -25.536 34.714 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.379 -26.505 34.604 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.849 -25.246 33.860 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.210 -24.150 35.460 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -8.743 -24.978 35.213 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.152 -24.357 35.302 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -11.336 -22.465 20.939 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -11.752 -22.726 21.794 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -10.494 -22.974 20.920 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -8.120 -35.797 31.687 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -8.063 -36.667 31.249 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -8.817 -35.920 32.372 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -6.621 -33.488 16.297 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -5.845 -33.078 15.865 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -6.443 -33.383 17.264 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -9.467 -29.833 21.413 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -8.922 -30.067 20.617 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -8.832 -29.899 22.167 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -8.239 -31.706 29.562 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -8.220 -32.040 28.646 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -7.336 -31.870 29.899 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -8.548 -32.849 24.113 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -9.276 -32.578 23.510 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -8.364 -33.779 23.860 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -10.612 -32.106 22.488 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -11.333 -32.579 22.017 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -10.379 -31.363 21.892 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -11.363 -31.429 25.037 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -11.179 -31.554 24.082 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -11.647 -32.299 25.337 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.630 -29.748 30.880 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.268 -30.605 30.556 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -9.499 -29.140 30.127 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.053 -25.525 32.059 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -8.603 -25.096 31.304 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.973 -25.661 31.736 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -11.043 -28.226 34.534 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -10.172 -28.430 34.126 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.945 -28.524 35.463 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -9.665 -24.525 24.228 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -8.938 -23.878 24.314 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -9.723 -24.689 23.275 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.199 -27.070 25.483 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -9.920 -26.173 25.216 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.558 -27.462 24.650 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.930 -17.813 25.188 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.155 -17.936 25.782 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.539 -17.481 24.351 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -10.574 -23.293 16.339 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -11.292 -22.741 15.966 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -9.865 -22.650 16.533 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -2.890 -20.696 32.418 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -2.676 -21.277 33.184 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -3.514 -21.212 31.899 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -12.069 -24.156 18.814 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -11.596 -23.991 17.984 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -11.766 -23.448 19.409 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.662 -32.346 26.814 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -8.489 -32.627 25.888 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -9.057 -31.460 26.720 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -8.089 -30.142 23.741 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -8.472 -29.859 24.586 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -7.915 -31.094 23.866 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -5.898 -31.983 31.060 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -6.219 -32.658 31.696 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -5.551 -31.268 31.625 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -13.128 -27.745 21.474 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -13.328 -26.804 21.240 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -13.994 -28.150 21.575 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -6.026 -24.506 34.519 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -6.679 -25.232 34.477 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -6.476 -23.754 34.093 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -13.729 -25.203 20.724 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -13.934 -24.362 21.144 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -13.198 -24.953 19.931 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -10.836 -26.145 37.431 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -11.165 -25.773 36.593 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.860 -27.108 37.289 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -11.092 -28.415 19.708 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.570 -28.943 20.342 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -11.887 -28.156 20.212 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.085 -29.137 32.145 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -11.267 -29.469 31.730 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.805 -28.857 33.039 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -9.259 -28.216 17.745 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -9.985 -28.219 18.418 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -9.220 -27.275 17.441 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -13.633 -27.298 30.968 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -13.090 -28.015 31.379 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -14.526 -27.642 30.986 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -8.732 -29.010 33.377 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -9.023 -29.195 32.456 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -8.264 -29.828 33.646 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -7.340 -31.314 33.987 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -6.470 -30.948 33.728 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -7.302 -32.248 33.692 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -9.861 -36.292 33.725 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -9.626 -37.089 34.252 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.501 -35.829 34.270 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.683 -33.821 32.894 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -6.186 -34.361 33.521 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -7.228 -34.478 32.392 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -10.896 -20.531 18.200 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -10.936 -21.039 19.019 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.986 -20.672 17.869 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -6.507 -21.560 36.215 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -6.884 -22.250 36.800 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.591 -21.486 36.498 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.874 -21.815 31.173 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -8.106 -22.703 30.855 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -7.829 -21.916 32.152 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -10.607 -15.940 29.380 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -10.854 -15.287 28.698 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -10.241 -15.409 30.092 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -7.470 -22.161 28.298 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -7.369 -21.483 27.591 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -7.581 -21.638 29.111 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -4.645 -22.438 28.385 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -5.604 -22.602 28.320 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -4.245 -23.309 28.280 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -4.437 -19.805 28.882 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -5.293 -19.603 29.305 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -4.480 -20.773 28.702 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -11.996 -22.986 23.528 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -12.075 -22.156 24.039 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -11.441 -23.560 24.084 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -10.481 -20.477 28.397 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -10.233 -20.747 27.490 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -10.745 -21.298 28.823 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -11.285 -35.135 23.651 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -11.059 -36.011 24.023 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -10.427 -34.716 23.503 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -8.062 -35.815 16.439 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.982 -35.529 16.423 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -7.549 -34.975 16.379 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.793 -20.847 15.641 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -12.718 -20.525 15.538 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.558 -20.604 16.563 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -0.538 -33.987 42.303 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -0.669 -33.566 41.422 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -1.387 -34.443 42.479 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -7.798 -28.650 38.457 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -7.845 -29.406 37.843 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -6.891 -28.698 38.821 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.980 -31.061 37.805 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -5.557 -30.324 38.290 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.277 -31.749 37.752 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -2.849 -29.711 40.335 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -2.621 -29.977 41.252 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -2.199 -30.169 39.791 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.079 -28.735 39.098 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -5.223 -27.837 39.470 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.296 -29.077 39.593 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -1.802 -25.230 34.520 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -1.606 -25.661 33.661 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -2.420 -25.848 34.963 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -7.764 -22.368 33.891 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.295 -21.867 34.595 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.459 -22.862 34.375 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -5.064 -36.497 37.763 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -4.565 -37.297 38.043 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -4.413 -35.783 37.810 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -10.225 -28.859 37.075 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -9.685 -28.579 37.835 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -9.754 -29.649 36.732 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.690 -38.372 36.498 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -6.236 -37.585 36.873 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -5.959 -38.918 36.133 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -4.023 -32.946 37.449 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -3.715 -33.172 36.552 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -3.555 -33.578 38.030 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.900 -26.218 39.914 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -5.793 -25.497 40.539 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -6.804 -26.094 39.556 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -1.924 -17.777 38.151 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -1.555 -18.683 38.173 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.626 -17.792 38.805 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -4.720 -24.162 36.853 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -5.045 -24.195 35.920 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -5.538 -24.122 37.383 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -2.385 -22.466 34.450 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -2.210 -23.428 34.407 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -2.474 -22.284 35.401 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -3.673 -26.702 36.052 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -3.970 -27.322 36.730 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -4.049 -25.843 36.334 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -8.429 -25.998 38.773 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -9.344 -25.877 38.430 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -8.248 -26.953 38.632 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -10.001 -38.424 37.911 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.970 -38.411 36.937 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -9.281 -39.036 38.163 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -7.450 -23.757 37.556 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -7.740 -24.475 38.156 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.121 -23.767 36.837 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -2.675 -22.328 37.292 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -3.434 -22.950 37.261 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -1.885 -22.913 37.196 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -8.087 -26.406 34.389 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -8.444 -26.094 33.519 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -8.183 -27.375 34.345 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -8.300 -30.719 36.505 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -8.106 -30.976 35.582 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -7.504 -31.015 37.006 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -0.227 -31.543 37.409 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 0.379 -30.817 37.131 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 0.184 -32.350 37.042 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -1.819 -30.669 42.716 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -1.872 -30.520 43.664 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.157 -31.366 42.620 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 1.505 -33.463 44.050 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 0.753 -33.602 43.436 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 1.846 -34.362 44.218 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -0.951 -32.980 39.753 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -0.693 -32.372 39.028 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -1.693 -33.491 39.383 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -1.046 -36.457 40.206 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -0.174 -36.247 39.814 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -0.932 -37.360 40.566 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -2.922 -34.851 39.064 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -2.207 -35.461 39.353 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -3.659 -35.037 39.687 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -0.503 -38.749 41.632 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 0.201 -39.352 41.287 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -0.001 -38.060 42.138 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -4.927 -35.768 40.689 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -4.938 -36.735 40.880 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.698 -35.630 40.120 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.886 -38.774 38.597 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -4.090 -38.738 39.555 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.149 -39.430 38.531 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -7.734 -21.365 14.135 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -7.188 -22.190 14.134 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -7.464 -20.902 13.321 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -2.866 -20.385 16.383 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -2.463 -19.704 16.953 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -2.587 -20.141 15.484 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.973 -19.262 10.311 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.099 -19.681 10.151 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -10.757 -18.401 10.679 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -2.484 -19.660 13.716 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -3.215 -20.306 13.586 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -2.950 -18.816 13.906 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -4.425 -17.855 14.592 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -5.230 -18.196 15.026 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -4.421 -16.917 14.805 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -9.871 -19.510 14.136 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -9.251 -20.260 14.124 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -10.662 -19.864 14.594 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -7.958 -17.641 13.525 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -8.830 -18.080 13.632 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -7.560 -17.686 14.416 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 2.241 -20.193 16.477 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 2.397 -20.953 17.088 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 2.161 -19.419 17.076 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -4.672 -21.210 13.203 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -5.101 -21.980 13.643 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -4.279 -21.589 12.390 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -0.736 -21.062 29.434 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -1.267 -21.863 29.271 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.090 -20.406 28.794 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -4.764 -15.286 28.448 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -5.120 -15.706 27.639 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -4.971 -15.926 29.159 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -12.564 -16.292 26.768 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -12.957 -16.954 27.345 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -12.043 -16.818 26.120 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -1.990 -16.790 29.408 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -2.271 -17.133 30.282 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -1.951 -17.589 28.844 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -2.020 -19.149 27.935 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -2.212 -18.797 27.044 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -2.913 -19.386 28.296 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -6.314 -13.094 25.554 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -7.276 -12.992 25.711 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -5.906 -12.837 26.406 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -5.628 -14.374 23.186 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -5.841 -13.917 24.033 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -6.488 -14.399 22.709 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -11.430 -13.960 27.509 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -11.875 -14.759 27.130 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -12.102 -13.273 27.464 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -6.848 -19.362 30.340 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -7.160 -20.190 30.766 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -7.677 -18.918 30.049 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -6.901 -18.537 15.919 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -6.306 -18.854 16.638 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -7.746 -18.973 16.105 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -3.305 -14.714 25.432 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -4.242 -14.979 25.562 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -3.363 -13.861 24.943 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.172 -17.800 25.707 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -3.483 -16.899 25.885 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -4.002 -18.322 25.606 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -10.818 -17.686 20.681 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -11.182 -18.495 21.115 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -11.155 -17.731 19.781 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -9.524 -21.255 25.891 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -9.137 -21.915 25.286 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -8.742 -20.726 26.190 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -3.213 -15.075 22.008 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -2.754 -15.637 22.662 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.083 -14.879 22.425 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -8.265 -14.510 22.391 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -8.855 -13.876 22.810 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -8.769 -15.344 22.395 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -11.744 -20.401 24.602 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -10.986 -20.728 25.133 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -11.767 -19.440 24.792 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.609 -16.139 25.981 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -6.487 -15.759 25.761 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -5.744 -17.117 25.901 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -2.849 -15.902 19.349 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -3.175 -15.577 20.210 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -2.003 -15.424 19.219 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -3.398 -12.375 23.940 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -2.875 -11.631 23.554 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -4.064 -12.572 23.264 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -1.732 -10.336 23.226 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -1.487 -9.810 24.001 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -0.890 -10.737 22.936 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -8.728 -17.950 26.828 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -8.062 -18.666 26.663 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -8.852 -17.964 27.800 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -8.309 -15.777 25.324 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -8.680 -16.074 24.474 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -8.462 -16.537 25.932 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -11.673 -19.910 21.905 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -11.812 -20.111 22.852 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -11.620 -20.787 21.480 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -2.799 -18.076 31.702 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -2.278 -17.670 32.427 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -2.843 -19.033 31.945 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -5.044 -12.616 27.968 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.956 -13.587 28.103 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -4.899 -12.242 28.864 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -9.041 -13.296 26.131 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -9.836 -13.425 26.680 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -8.796 -14.202 25.849 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.250 -18.296 29.495 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -9.828 -19.042 29.209 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -9.850 -17.516 29.511 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -3.469 -14.908 31.228 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -4.201 -15.556 31.278 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -3.015 -15.132 30.399 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -3.003 -11.513 26.499 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -3.200 -11.752 25.567 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -3.827 -11.747 26.983 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -0.310 -17.924 19.675 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -1.158 -18.190 19.261 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -0.397 -16.962 19.795 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -0.805 -13.645 22.006 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -0.267 -14.424 22.261 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -1.723 -13.986 21.980 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 0.496 -13.580 31.560 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 1.249 -14.133 31.285 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 0.583 -12.769 31.021 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -1.800 -12.448 28.772 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -1.666 -13.367 28.452 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -2.193 -11.986 28.002 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -0.601 -15.738 36.856 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -1.119 -16.443 37.306 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -1.228 -15.337 36.244 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 2.094 -18.028 18.258 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 1.233 -18.232 18.669 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 2.349 -17.177 18.663 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -9.513 -16.934 22.966 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -8.624 -17.345 22.867 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -9.986 -17.177 22.132 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -5.137 -17.111 30.624 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.348 -17.572 30.986 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -5.808 -17.819 30.541 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 1.374 -19.071 37.700 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 1.963 -19.824 37.600 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 0.508 -19.470 37.917 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.553 -14.396 33.169 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -0.827 -13.997 32.637 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.318 -14.406 32.558 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -0.843 -17.001 33.327 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -1.143 -16.061 33.320 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.063 -16.995 33.923 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 12.974 -38.992 12.127 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 12.020 -39.125 12.313 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 13.027 -38.073 11.798 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 12.594 -43.666 14.018 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 13.066 -42.992 13.473 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 11.707 -43.284 14.147 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 10.223 -39.202 12.632 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 9.969 -38.644 13.394 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 9.750 -38.795 11.877 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 5.906 -44.918 15.812 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 6.050 -45.574 15.099 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 5.833 -45.464 16.624 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 6.063 -42.504 12.900 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 6.891 -41.976 12.969 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 6.372 -43.407 12.772 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 2.995 -44.231 10.447 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 2.672 -44.643 11.285 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 2.750 -44.863 9.766 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 9.818 -43.431 14.772 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 10.206 -44.305 14.988 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 9.159 -43.282 15.483 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 3.650 -41.858 11.575 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 4.485 -42.093 12.029 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 3.422 -42.668 11.058 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 6.511 -47.054 14.123 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 6.715 -47.606 13.359 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 7.327 -47.106 14.681 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 8.776 -47.155 15.597 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 9.549 -46.593 15.383 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 9.138 -47.825 16.221 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 2.143 -45.233 12.789 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 2.006 -44.551 13.475 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 2.650 -45.938 13.250 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 8.628 -41.507 13.232 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 9.302 -40.855 12.948 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 9.147 -42.199 13.701 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 14.359 -44.024 16.089 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 13.779 -43.992 15.295 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 14.962 -43.259 15.972 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 7.220 -39.416 14.480 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 6.789 -39.219 13.630 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 7.719 -40.234 14.306 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 2.676 -40.013 15.389 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 3.526 -40.155 14.956 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 2.399 -39.118 15.090 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 16.157 -36.860 11.038 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 15.182 -36.809 11.049 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 16.366 -37.264 10.170 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 2.052 -43.053 14.524 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 2.962 -42.822 14.813 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 1.820 -42.352 13.875 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 7.838 -43.163 16.732 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 7.169 -43.780 16.366 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 7.540 -43.010 17.656 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 11.195 -45.738 15.321 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 11.728 -46.002 16.083 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 11.839 -45.325 14.709 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 3.400 -47.370 16.992 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 3.191 -48.127 17.546 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 4.245 -47.037 17.352 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 7.742 -45.858 19.969 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 8.465 -45.446 19.447 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.219 -46.395 20.641 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 10.094 -48.767 17.343 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 10.703 -48.284 17.948 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 10.429 -49.667 17.341 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 17.391 -37.881 8.754 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 16.911 -38.363 8.072 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 17.965 -37.257 8.246 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 13.811 -41.544 12.772 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 13.493 -40.642 12.542 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 14.724 -41.555 12.470 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 16.014 -41.816 15.890 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 16.749 -41.812 15.235 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 16.472 -41.927 16.761 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 16.437 -45.846 15.975 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 16.612 -45.593 15.041 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 15.633 -45.338 16.205 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 4.658 -42.532 15.272 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 4.972 -43.425 15.536 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 5.133 -42.353 14.434 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 1.666 -37.560 14.668 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 1.035 -37.199 15.303 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 1.549 -37.004 13.870 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 3.125 -36.601 11.075 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 3.419 -37.523 11.265 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 2.266 -36.529 11.521 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 5.051 -34.696 8.064 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 4.693 -34.521 8.962 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 4.995 -35.650 7.970 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.287 -34.214 10.643 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 3.753 -35.035 10.765 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.923 -34.232 11.396 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 8.489 -37.654 11.090 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 8.769 -37.159 10.283 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 8.063 -36.965 11.658 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 6.631 -39.541 11.653 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 6.842 -40.227 11.009 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 7.280 -38.825 11.461 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 1.143 -44.223 30.135 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 0.952 -44.937 29.490 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 2.112 -44.106 30.079 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 2.525 -43.610 26.868 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 2.361 -44.111 26.037 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 2.982 -42.801 26.562 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 13.444 -43.704 28.625 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 13.088 -43.496 27.750 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 14.324 -44.091 28.441 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 5.338 -45.693 26.248 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 5.876 -46.461 26.522 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 4.542 -45.755 26.805 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 1.571 -39.463 19.004 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 2.125 -38.714 18.687 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 1.586 -39.378 19.963 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 5.462 -44.272 24.008 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 4.982 -43.472 24.297 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 5.408 -44.878 24.785 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 6.058 -44.075 21.354 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 5.955 -44.313 22.304 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 6.600 -44.803 20.983 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 15.981 -45.025 28.209 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 16.079 -45.904 27.787 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 16.876 -44.842 28.589 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 12.845 -48.177 32.136 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 12.773 -47.504 32.858 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 12.978 -47.652 31.337 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 2.202 -44.633 24.326 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 1.465 -44.735 23.680 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 2.963 -45.033 23.882 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 3.792 -43.928 29.343 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 3.434 -43.649 28.474 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 4.066 -43.083 29.775 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 11.724 -45.312 21.571 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 11.992 -44.633 22.229 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 12.568 -45.568 21.141 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 1.446 -44.049 34.919 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 0.957 -44.428 35.674 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 1.413 -44.751 34.234 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 17.967 -49.521 33.948 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 17.211 -49.323 33.368 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 18.743 -49.170 33.455 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 10.368 -51.648 33.565 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 11.062 -52.304 33.443 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 9.817 -52.011 34.266 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.746 -47.363 18.988 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 11.173 -46.584 19.129 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 12.628 -47.057 19.237 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 3.499 -46.506 28.277 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 2.532 -46.565 28.160 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 3.621 -45.746 28.879 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 9.550 -47.083 21.622 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 9.980 -47.942 21.638 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 10.270 -46.450 21.821 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 7.768 -46.559 29.270 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 8.096 -47.271 29.860 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 7.201 -47.030 28.630 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 11.217 -45.217 24.902 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 11.751 -45.976 25.216 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 11.762 -44.817 24.197 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 0.847 -45.588 27.810 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 0.058 -45.636 27.230 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 1.387 -44.872 27.420 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 6.586 -44.194 28.659 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 7.083 -44.992 28.965 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 5.717 -44.278 29.085 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 5.843 -47.901 27.834 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 4.949 -47.544 28.035 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 5.854 -48.765 28.260 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 9.206 -42.291 22.546 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 9.353 -41.330 22.429 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 9.073 -42.620 21.650 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 12.183 -42.907 25.919 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 11.567 -43.671 25.911 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 12.786 -43.089 25.169 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 10.272 -44.984 19.250 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 10.634 -44.959 20.160 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 10.974 -44.574 18.705 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 4.467 -41.489 30.413 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 4.881 -40.872 29.778 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 4.692 -41.108 31.298 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 0.835 -45.422 32.608 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 0.240 -46.093 32.204 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 1.041 -44.818 31.868 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 8.508 -47.425 33.968 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 8.871 -46.596 33.643 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 9.049 -48.113 33.526 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 17.995 -46.408 20.204 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 18.090 -45.439 20.160 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 18.753 -46.746 19.679 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.637 -41.800 22.243 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 5.017 -42.651 21.951 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 4.959 -41.159 21.581 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 2.530 -42.086 18.933 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 2.063 -41.234 18.878 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 3.346 -41.942 18.425 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 3.651 -42.232 24.758 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.923 -42.792 24.439 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 3.975 -41.779 23.948 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 9.581 -41.112 17.366 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 8.926 -41.757 17.034 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 9.069 -40.545 17.977 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 4.866 -41.033 17.632 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 4.739 -41.345 16.709 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 5.613 -41.571 17.964 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 10.197 -49.110 32.521 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 10.251 -50.021 32.890 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 11.132 -48.863 32.360 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 8.319 -48.927 30.524 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 8.519 -49.778 30.128 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 8.900 -48.889 31.314 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 13.033 -47.099 25.785 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 13.354 -47.183 26.714 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 12.943 -48.011 25.486 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 -1.364 -45.344 34.285 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -0.593 -45.343 33.689 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -0.973 -45.292 35.182 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 6.088 -46.742 17.886 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 6.790 -47.317 17.548 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 6.458 -46.382 18.722 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.433 -42.174 33.461 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 7.238 -41.777 33.804 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 5.815 -41.411 33.356 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 12.179 -41.757 17.356 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 11.217 -41.549 17.274 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 12.196 -42.673 17.699 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -0.153 -45.381 36.755 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 0.368 -46.221 36.709 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 0.178 -44.939 37.570 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 6.725 -42.450 19.186 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 6.482 -43.110 19.872 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 6.655 -41.592 19.649 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 6.367 -47.067 35.647 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 7.085 -47.217 34.988 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 6.828 -47.012 36.489 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 13.375 -44.477 31.301 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.465 -44.506 31.612 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 13.311 -44.089 30.400 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 12.719 -44.303 18.232 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 13.266 -44.611 18.985 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 13.353 -44.262 17.477 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 3.823 -47.823 35.075 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 4.714 -47.532 35.377 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 3.986 -48.220 34.216 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 16.347 -46.615 37.618 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 16.253 -47.343 38.263 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 16.382 -47.067 36.751 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 1.484 -47.510 36.434 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 1.425 -48.400 36.789 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 2.321 -47.515 35.913 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 12.761 -46.258 34.030 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 12.774 -46.718 34.896 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 13.283 -45.452 34.184 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 15.910 -48.143 35.378 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 15.719 -47.996 34.429 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 16.695 -48.720 35.371 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 16.107 -44.371 21.897 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 15.684 -43.693 22.471 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 16.460 -45.023 22.524 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 18.064 -43.506 20.236 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 18.565 -42.896 20.826 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 17.293 -43.788 20.783 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 15.812 -46.720 18.541 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 16.620 -46.792 19.091 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 16.148 -46.546 17.640 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 14.855 -45.389 24.647 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 14.293 -44.736 24.179 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 14.216 -46.036 25.013 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -1.050 -43.167 28.658 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -0.683 -43.334 27.777 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -0.322 -43.404 29.270 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 18.572 -49.618 36.656 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 18.472 -49.796 35.696 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 18.952 -48.706 36.692 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 14.119 -45.576 20.262 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 14.770 -45.146 20.857 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 14.680 -46.076 19.617 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 14.284 -47.663 28.161 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 15.203 -47.801 27.849 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 14.391 -47.369 29.082 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 15.112 -46.398 30.531 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 14.545 -45.738 30.993 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 15.551 -45.881 29.829 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.509 -46.092 41.589 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 14.020 -46.581 42.247 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 12.861 -45.576 42.123 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 16.756 -40.371 43.090 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 16.665 -40.026 42.170 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 15.846 -40.445 43.399 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.265 -43.742 40.247 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 6.217 -43.866 40.413 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.943 -43.280 41.041 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.230 -41.053 45.159 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.180 -40.560 45.984 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -0.703 -41.120 44.864 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 11.947 -37.630 43.122 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 12.919 -37.619 42.987 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 11.686 -38.546 42.889 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 7.948 -41.003 47.464 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 8.619 -40.306 47.282 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 7.381 -40.615 48.132 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 12.041 -42.066 44.685 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 11.230 -42.165 45.198 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 12.139 -42.921 44.226 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 11.923 -44.302 42.900 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 10.965 -44.237 43.128 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 12.022 -43.700 42.130 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 13.511 -47.257 36.479 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 13.447 -47.412 37.441 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 14.342 -47.708 36.218 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 19.363 -48.482 41.784 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 18.553 -47.928 41.711 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 19.269 -49.138 41.067 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.191 -46.118 45.701 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 1.393 -46.632 45.814 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 1.870 -45.224 45.458 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 8.060 -43.584 40.747 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 8.137 -42.665 40.403 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 8.757 -44.069 40.273 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 9.368 -43.505 43.236 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 8.761 -43.550 42.470 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 9.065 -42.721 43.736 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 13.083 -47.522 39.264 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 13.302 -46.971 40.049 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 12.129 -47.426 39.168 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 7.560 -39.160 35.794 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 7.805 -38.294 35.457 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 6.654 -39.310 35.441 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 -2.617 -41.013 44.675 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 -2.779 -40.181 44.186 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 -3.512 -41.408 44.782 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 17.271 -46.815 41.217 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 17.455 -46.030 40.687 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 16.700 -47.367 40.641 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 -1.700 -43.724 44.477 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 -2.108 -42.906 44.802 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 -1.875 -43.709 43.513 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 15.760 -48.401 39.599 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 14.790 -48.429 39.494 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 16.058 -49.306 39.346 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 0.843 -44.376 39.123 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 1.538 -44.846 39.599 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 0.011 -44.638 39.590 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 1.515 -40.289 40.674 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 2.019 -40.544 41.476 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 1.789 -40.938 40.000 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 9.691 -39.141 46.515 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 10.647 -39.002 46.717 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 9.412 -38.306 46.087 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 12.234 -42.559 40.831 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.142 -42.393 40.533 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 11.971 -41.721 41.276 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 0.938 -43.762 45.093 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 0.911 -42.801 45.226 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 0.010 -43.994 44.871 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 17.627 -41.628 45.840 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 17.323 -40.820 45.406 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 18.392 -41.338 46.381 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 4.800 -43.509 35.187 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 5.436 -43.217 34.496 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 4.871 -44.473 35.185 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 10.491 -43.750 39.040 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 11.111 -43.380 39.703 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 11.000 -43.724 38.199 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.047 -43.318 36.809 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.807 -43.684 36.318 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 11.562 -42.788 36.140 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 -2.745 -38.565 43.266 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 -1.928 -38.696 42.742 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 -2.772 -37.604 43.425 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 21.261 -38.839 46.304 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 20.689 -39.526 46.705 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 21.259 -39.059 45.349 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 14.277 -36.987 50.371 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 14.588 -37.237 49.472 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 13.383 -36.651 50.223 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 16.966 -44.395 38.942 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 16.238 -44.180 39.566 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 16.615 -45.149 38.409 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 15.103 -43.922 40.890 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 14.485 -44.675 41.003 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 15.318 -43.656 41.792 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 19.160 -41.572 43.272 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 19.022 -42.136 44.049 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 18.292 -41.121 43.150 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 19.396 -45.556 39.195 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 19.719 -45.100 40.001 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 18.570 -45.074 38.964 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 16.973 -50.654 38.697 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 17.317 -50.433 37.810 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 17.770 -50.741 39.242 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 6.704 -40.340 43.027 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 6.702 -39.370 43.143 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 7.459 -40.644 43.567 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 12.379 -38.915 46.925 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 13.109 -38.330 47.220 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 12.828 -39.667 46.522 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 14.529 -37.310 47.619 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 14.059 -36.449 47.545 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 15.088 -37.343 46.808 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 8.643 -41.286 44.804 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 8.198 -41.521 45.646 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 9.191 -40.516 45.037 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 4.808 -42.284 42.667 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 5.081 -42.936 43.325 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 5.510 -41.588 42.710 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 12.016 -40.374 42.498 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 12.163 -40.871 43.331 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.929 -40.171 42.169 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 15.429 -17.112 -1.755 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 16.023 -17.293 -0.993 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 15.966 -17.335 -2.530 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 11.807 -18.519 -4.188 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 11.215 -19.230 -3.910 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 12.380 -18.942 -4.880 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 16.706 -16.696 -8.348 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 17.071 -15.801 -8.531 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 17.404 -17.309 -8.664 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 19.599 -19.041 -6.905 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 19.159 -18.926 -7.775 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 20.459 -19.410 -7.123 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 13.893 -24.229 -0.055 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 13.090 -24.447 0.458 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 14.282 -25.110 -0.277 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 10.668 -17.959 2.544 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 11.022 -18.335 1.713 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 9.697 -17.959 2.410 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 13.195 -16.363 -3.096 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 12.787 -17.166 -3.482 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 13.923 -16.710 -2.533 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.984 -20.045 -8.497 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 15.151 -20.538 -8.622 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 15.819 -19.494 -7.714 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 17.741 -18.796 -4.922 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 18.428 -18.784 -5.632 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 18.126 -19.343 -4.234 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.888 -27.258 6.618 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.815 -28.054 7.183 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.966 -26.948 6.522 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 11.549 -29.415 8.370 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 10.630 -29.269 8.666 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 11.718 -30.353 8.577 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 0.551 -27.924 7.685 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 0.279 -28.860 7.793 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 1.326 -27.963 7.101 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 3.184 -27.617 6.291 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 3.471 -28.396 5.806 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 3.857 -27.517 7.009 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 18.825 -33.809 8.075 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 18.366 -32.941 8.116 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 18.695 -34.191 8.976 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 9.241 -31.911 7.784 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 8.327 -32.262 7.762 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 9.135 -30.996 8.107 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 4.166 -31.466 10.416 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 4.080 -32.447 10.416 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 3.277 -31.152 10.673 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 -0.226 -30.516 8.355 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 -0.851 -30.579 9.104 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 -0.251 -31.408 7.949 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 5.990 -29.902 8.839 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 5.275 -30.195 9.439 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 6.258 -30.723 8.376 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 3.990 -24.358 10.375 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 4.550 -23.804 10.957 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 4.441 -24.322 9.505 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 11.207 -34.559 10.079 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 10.542 -34.268 10.736 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 11.487 -33.730 9.637 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 1.561 -33.463 11.997 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 2.335 -33.382 12.603 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 1.505 -32.584 11.573 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 3.942 -39.124 11.722 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 3.676 -40.053 11.580 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 4.922 -39.161 11.749 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 9.253 -26.417 6.151 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 8.591 -25.707 6.010 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 8.753 -27.120 6.579 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 17.681 -30.261 11.255 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 18.392 -30.911 11.074 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 18.074 -29.653 11.905 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 14.835 -27.736 4.385 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 14.037 -27.656 4.930 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 15.491 -28.145 4.981 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 5.166 -27.366 8.114 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 5.536 -28.213 8.443 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 5.547 -26.697 8.694 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 4.151 -25.065 5.611 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 3.470 -24.601 5.110 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 3.751 -25.940 5.805 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 3.729 -32.871 13.588 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 4.571 -33.317 13.341 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 4.018 -32.065 14.070 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 14.447 -28.145 1.673 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 14.932 -28.978 1.481 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 14.503 -28.054 2.645 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 12.013 -21.914 0.411 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 11.707 -22.800 0.692 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 12.882 -22.082 0.005 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 2.206 -22.480 12.352 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 1.712 -22.012 13.062 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 2.156 -21.880 11.597 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 10.578 -21.054 7.013 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 9.804 -21.399 7.477 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 10.205 -20.419 6.360 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 0.747 -36.067 12.493 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 -0.225 -36.000 12.641 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 1.026 -35.136 12.325 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.035 -37.320 14.343 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 8.473 -38.034 14.707 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.402 -36.758 13.832 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.909 -26.678 -0.510 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 15.141 -27.374 -1.130 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.699 -27.163 0.328 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 8.569 -30.324 11.576 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 8.842 -30.680 12.446 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 7.862 -30.934 11.287 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.725 -32.296 10.989 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 6.543 -32.971 11.693 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 5.862 -31.840 10.871 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 8.968 -34.009 11.739 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 8.302 -34.663 12.076 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 8.427 -33.323 11.311 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 8.754 -29.467 9.028 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 7.787 -29.413 8.891 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 8.847 -29.628 9.998 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 8.453 -23.412 3.614 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 9.001 -22.619 3.457 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 9.097 -24.148 3.607 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 16.421 -29.145 9.136 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 16.710 -29.575 9.974 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 16.812 -28.247 9.186 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 0.018 -26.060 9.585 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 -0.949 -25.926 9.622 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 0.145 -26.703 8.846 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.684 -25.038 3.905 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 11.094 -24.315 4.433 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 10.513 -25.741 4.557 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 14.221 -29.550 7.344 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 14.908 -29.318 8.003 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 13.382 -29.342 7.789 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 5.315 -24.212 7.976 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 4.783 -24.549 7.224 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 6.230 -24.250 7.650 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 7.084 -24.728 5.689 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 7.416 -24.142 4.975 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 6.144 -24.867 5.468 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 6.783 -20.623 12.901 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 6.327 -19.918 12.396 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 7.325 -20.137 13.552 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 10.485 -16.110 5.512 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 9.603 -16.462 5.746 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 10.538 -16.224 4.554 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 16.878 -26.138 3.383 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 17.539 -26.472 4.000 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 16.074 -26.655 3.592 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 17.174 -16.927 0.291 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.290 -16.383 1.106 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 17.919 -17.573 0.329 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 10.202 -21.312 3.158 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 9.961 -20.537 3.711 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 10.661 -20.928 2.396 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 10.898 -35.666 13.169 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 10.255 -35.079 12.737 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 10.345 -36.291 13.682 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 11.577 -22.748 5.042 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 11.167 -22.224 4.323 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 11.321 -22.274 5.858 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 9.779 -19.343 5.064 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 10.644 -18.942 4.840 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 9.191 -18.578 5.212 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 11.797 -32.267 8.512 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 12.342 -32.315 7.716 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 10.869 -32.238 8.170 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 -0.138 -33.212 7.629 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 -0.845 -33.681 7.119 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 0.682 -33.517 7.226 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 7.242 -20.659 1.699 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 7.540 -21.451 2.166 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.787 -20.999 0.922 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 13.300 -19.785 -6.057 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 14.159 -19.322 -6.119 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 13.228 -20.269 -6.904 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 11.495 -24.578 1.292 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 11.290 -24.747 2.240 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 10.977 -25.239 0.819 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.726 -21.830 -0.857 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.876 -21.883 -1.806 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.568 -22.770 -0.585 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 8.564 -15.622 -1.474 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 8.151 -15.589 -0.584 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 9.293 -16.275 -1.376 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 -1.109 -20.552 11.385 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -1.468 -20.111 12.181 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 -1.824 -21.152 11.105 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 17.368 -30.722 3.244 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 18.146 -30.374 3.692 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 16.710 -30.843 3.963 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 15.663 -30.827 5.433 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 15.624 -31.756 5.745 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 15.018 -30.357 6.013 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 13.815 -25.347 6.588 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 13.166 -26.077 6.688 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 14.666 -25.736 6.895 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 15.974 -30.306 0.951 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 16.165 -31.076 0.414 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 16.539 -30.422 1.750 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 15.634 -33.122 6.938 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 16.300 -32.538 7.366 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 15.828 -33.995 7.284 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 17.510 -31.414 7.916 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 18.195 -30.976 7.368 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 17.078 -30.671 8.389 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 -0.671 -33.882 10.244 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.169 -33.894 10.738 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 -0.411 -33.628 9.331 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -1.443 -31.273 10.879 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 -2.233 -31.057 11.416 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 -1.468 -32.248 10.794 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 0.181 -38.833 11.799 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 0.487 -37.914 11.886 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 -0.525 -38.787 11.143 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 5.078 -22.689 12.259 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 4.154 -22.473 12.488 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 5.604 -21.975 12.682 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 2.843 -19.523 12.487 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 2.312 -19.299 11.693 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.184 -19.884 13.117 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 4.413 -19.812 14.817 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 3.674 -19.974 15.439 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 3.976 -19.679 13.957 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 3.634 -19.056 8.856 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 2.764 -19.241 9.261 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 3.984 -19.948 8.618 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 4.835 -21.472 8.553 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 4.805 -22.384 8.218 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 5.657 -21.444 9.089 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 6.949 -21.772 10.257 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.418 -21.173 10.854 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.383 -22.297 10.849 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 6.636 -32.513 8.235 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 6.062 -33.273 7.977 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 6.708 -32.591 9.210 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 13.037 -36.256 11.469 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 12.455 -36.115 12.248 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 12.625 -35.711 10.771 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 18.749 -36.328 7.014 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 18.752 -35.396 7.332 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 19.324 -36.315 6.243 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 9.249 -36.114 8.976 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 8.950 -35.534 8.271 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 10.042 -35.663 9.339 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 7.678 -15.512 1.162 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 7.755 -16.451 1.425 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 8.488 -15.093 1.527 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 19.040 -22.802 34.948 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 18.832 -23.416 34.213 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 19.285 -23.393 35.687 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 11.168 -28.454 44.737 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 11.930 -29.002 44.981 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 11.556 -27.737 44.187 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 5.571 -29.993 37.064 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 5.606 -30.926 36.832 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 4.868 -29.622 36.464 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 7.225 -29.212 39.100 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 6.573 -29.486 38.416 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 7.042 -29.816 39.858 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 9.868 -26.101 45.761 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 10.256 -26.987 45.803 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 9.386 -26.095 44.912 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 7.480 -31.981 43.382 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 7.483 -32.905 43.670 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 8.161 -31.549 43.940 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.898 -33.305 41.670 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 4.121 -33.729 41.244 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 4.530 -32.896 42.486 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.388 -29.570 44.286 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 7.286 -29.577 44.679 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.332 -30.425 43.818 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 18.130 -33.873 49.013 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 18.352 -32.933 48.895 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 17.231 -33.956 48.619 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.011 -27.831 42.241 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 6.534 -28.233 41.504 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.742 -28.365 43.018 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 6.969 -34.902 42.579 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 6.186 -34.339 42.390 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 7.405 -34.999 41.708 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 1.712 -25.283 37.195 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 2.545 -25.800 37.256 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 1.008 -25.970 37.250 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 14.953 -25.578 44.007 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 14.986 -24.872 43.318 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 15.790 -26.078 43.879 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 16.450 -34.284 45.416 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 16.375 -34.371 46.387 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 16.149 -33.361 45.241 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 8.753 -36.955 45.057 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 8.938 -36.332 44.345 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 7.893 -37.349 44.806 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 10.397 -25.466 41.123 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 11.126 -26.070 40.848 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 10.860 -24.723 41.564 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 12.501 -27.212 40.915 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 12.457 -27.020 41.873 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 13.292 -27.776 40.823 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 16.425 -29.698 49.478 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 15.982 -28.886 49.139 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 17.299 -29.384 49.784 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 17.956 -27.546 47.810 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 16.998 -27.368 47.792 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 18.138 -27.991 46.952 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 12.291 -31.272 47.883 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 12.654 -31.028 46.998 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 13.071 -31.231 48.475 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.847 -29.772 45.166 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 4.750 -29.544 44.849 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 3.645 -29.091 45.810 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 8.681 -25.914 43.244 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 8.013 -26.571 42.939 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 9.311 -25.851 42.498 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 3.908 -32.224 43.978 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 3.850 -31.322 44.368 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 2.979 -32.553 44.002 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 15.010 -23.934 41.801 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 14.525 -23.282 41.253 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 15.472 -24.494 41.153 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 11.571 -23.691 42.863 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 10.858 -23.512 43.511 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 11.717 -22.832 42.424 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 3.241 -29.569 38.641 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 2.590 -29.617 37.907 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 4.077 -29.830 38.233 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.280 -21.348 41.298 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.495 -21.301 41.897 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 11.499 -20.397 41.118 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 14.332 -20.218 36.667 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 15.013 -19.597 36.307 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 14.862 -20.904 37.128 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 13.648 -22.128 40.156 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 12.848 -21.863 40.658 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 13.340 -22.205 39.245 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 13.455 -32.796 51.690 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 13.174 -32.582 52.585 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 14.054 -33.575 51.806 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 6.484 -37.536 43.516 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 5.530 -37.723 43.396 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 6.579 -36.597 43.245 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 14.532 -31.639 49.420 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 14.276 -31.945 50.315 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 15.226 -30.962 49.584 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 6.523 -30.875 41.121 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 5.801 -31.521 41.021 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 7.040 -31.217 41.881 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 0.723 -36.580 42.716 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 1.405 -36.394 43.395 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 0.367 -35.701 42.489 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 9.645 -30.898 47.412 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 9.328 -30.729 48.302 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.609 -31.058 47.527 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 2.698 -34.385 40.369 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 2.166 -35.082 39.943 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 2.180 -33.579 40.240 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 12.495 -34.912 42.640 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 12.606 -34.739 43.584 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 12.152 -35.823 42.607 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 9.005 -30.190 44.871 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 9.710 -29.541 44.658 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 9.213 -30.472 45.792 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 4.783 -34.331 45.467 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 4.564 -33.557 44.903 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 5.075 -33.943 46.296 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.240 -28.657 43.724 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 15.018 -28.113 43.937 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.324 -28.825 42.764 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 16.340 -21.749 37.697 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 16.660 -22.641 37.959 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 17.149 -21.280 37.410 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 9.356 -23.576 44.473 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 9.644 -23.984 45.311 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 8.911 -24.311 43.994 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 9.160 -21.282 42.962 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.131 -22.056 43.566 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 8.420 -20.736 43.242 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 12.363 -26.247 43.520 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 12.056 -25.330 43.355 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 13.320 -26.143 43.718 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 19.395 -24.748 36.897 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 18.540 -24.733 37.379 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 19.271 -25.430 36.198 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 14.752 -28.856 40.979 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.493 -29.654 40.468 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.672 -28.691 40.708 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 3.665 -27.107 37.303 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 3.564 -27.635 38.114 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 3.568 -27.766 36.579 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 13.176 -34.994 47.319 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 12.640 -34.513 47.989 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 12.529 -35.224 46.614 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 9.794 -22.624 39.233 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 9.591 -21.925 38.599 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 10.300 -22.174 39.934 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 12.068 -33.580 49.391 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 12.448 -33.294 50.245 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 12.000 -32.755 48.872 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.860 -23.104 36.651 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.961 -22.769 36.516 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 7.436 -22.320 36.505 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.589 -33.837 48.018 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 14.761 -34.298 47.764 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 15.277 -32.992 48.405 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 3.760 -38.131 42.980 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 3.212 -37.897 42.220 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 3.467 -39.040 43.214 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 -1.014 -20.402 38.390 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 -1.648 -20.927 37.847 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 -0.822 -20.974 39.141 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 13.815 -26.577 46.312 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 14.318 -26.128 45.600 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 12.899 -26.539 46.011 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 11.095 -21.229 34.900 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 10.642 -21.810 34.253 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 12.045 -21.323 34.674 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 0.034 -27.410 37.169 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 -0.761 -27.797 37.541 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 0.590 -28.188 36.927 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 17.913 -29.089 41.877 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 18.161 -29.593 41.072 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 17.816 -29.784 42.574 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 16.925 -27.432 43.743 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 17.458 -27.721 44.511 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 17.271 -27.973 42.999 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 15.180 -27.474 48.465 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 14.699 -27.337 47.612 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.701 -26.924 49.093 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 18.356 -29.837 37.355 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 19.088 -29.357 36.946 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 18.059 -30.465 36.647 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 17.527 -31.351 47.518 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 17.001 -31.404 46.684 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 16.989 -30.780 48.101 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 15.067 -34.939 52.091 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 14.824 -35.708 51.539 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 16.045 -34.913 52.045 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 13.621 -30.522 45.643 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 13.815 -29.795 45.015 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 14.440 -31.069 45.629 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 2.829 -35.906 44.368 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 3.291 -36.700 44.033 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 3.526 -35.416 44.862 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 18.542 -39.055 51.294 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 18.799 -38.147 51.038 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 17.592 -38.976 51.533 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 17.564 -23.958 38.753 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 18.137 -23.312 39.211 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 17.266 -24.569 39.466 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 15.974 -38.418 52.016 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 15.563 -38.250 52.868 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 15.369 -37.998 51.371 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 11.447 -35.957 45.319 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 10.536 -36.175 45.574 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 11.687 -36.656 44.673 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.605 -36.924 45.157 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 15.283 -37.144 44.257 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 15.884 -35.989 45.091 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 14.637 -37.498 42.646 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 14.683 -38.337 42.121 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 14.986 -36.812 42.035 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 -0.621 -23.936 36.687 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 0.227 -24.354 36.947 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 -0.932 -24.479 35.933 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 13.762 -21.287 34.236 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.939 -20.907 35.121 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 14.606 -21.707 33.989 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 16.616 -21.564 34.336 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 17.449 -21.942 34.686 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 16.577 -20.667 34.731 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 1.968 -16.419 37.281 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 1.885 -17.347 37.596 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 1.045 -16.075 37.306 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 11.518 -8.899 -9.209 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 10.549 -8.783 -9.242 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 11.661 -9.815 -9.554 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 13.297 -7.117 -10.339 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.989 -6.996 -11.258 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.704 -7.813 -9.979 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 13.675 -0.195 -10.398 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 13.444 -1.142 -10.492 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 13.058 0.130 -9.711 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 8.722 -8.470 -9.291 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 9.102 -7.741 -9.847 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 7.772 -8.418 -9.457 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 14.940 -13.754 -10.140 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 14.485 -14.596 -9.950 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 15.785 -13.824 -9.649 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 12.616 -15.011 -12.628 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 13.325 -15.634 -12.376 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 11.994 -15.550 -13.122 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 8.824 -8.274 -6.553 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 8.307 -7.434 -6.439 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 8.945 -8.342 -7.525 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 14.214 -16.350 -9.489 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 14.142 -16.759 -10.383 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 15.117 -16.596 -9.186 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 7.382 -5.990 -6.333 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 6.424 -6.157 -6.165 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 7.439 -5.014 -6.427 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 12.766 -2.794 -10.448 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 13.366 -3.476 -10.076 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 12.517 -3.150 -11.325 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 9.777 -6.484 -10.803 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 10.555 -6.540 -11.377 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 9.583 -5.524 -10.755 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 11.988 -6.852 -12.785 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 11.557 -7.693 -12.994 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 12.778 -6.833 -13.383 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 9.215 -13.717 -9.000 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 9.234 -13.214 -9.822 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 8.303 -14.082 -8.965 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 8.295 -8.891 -3.929 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 7.960 -9.822 -3.957 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 8.441 -8.665 -4.872 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 11.600 -4.075 -12.651 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 11.693 -5.043 -12.761 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 10.746 -3.967 -12.180 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 4.805 -6.450 -5.669 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 3.845 -6.440 -5.656 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 5.051 -7.011 -4.897 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 7.442 -3.228 -6.453 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 6.687 -2.671 -6.667 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 8.222 -2.688 -6.711 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 10.904 -16.276 -5.667 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 11.669 -16.272 -6.278 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 10.986 -17.123 -5.195 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 12.326 -12.313 -12.716 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 12.117 -12.173 -13.662 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 12.423 -13.292 -12.635 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 12.999 -7.045 -7.524 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.379 -7.766 -7.731 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.282 -6.724 -8.398 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.427 -16.432 -6.869 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 13.596 -16.353 -7.833 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 14.025 -17.152 -6.582 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 15.612 -1.105 -3.277 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 15.973 -1.012 -2.363 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 16.389 -0.941 -3.857 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 5.212 -7.873 -0.872 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 6.082 -7.444 -0.693 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 4.572 -7.335 -0.349 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 5.683 -13.987 -11.684 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 5.940 -13.334 -12.345 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 4.958 -14.470 -12.096 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 6.589 -14.509 -9.147 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 6.236 -14.259 -10.033 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 6.271 -15.410 -9.014 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 18.501 -11.270 -15.436 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 18.903 -10.636 -16.041 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 17.794 -10.755 -14.984 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 11.855 -11.452 -10.149 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 12.054 -11.708 -11.079 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 12.047 -12.255 -9.636 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 12.032 -2.274 -5.772 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 12.110 -1.298 -5.843 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 12.555 -2.498 -4.972 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 14.150 -14.600 -4.949 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 13.991 -15.167 -5.731 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 13.961 -15.186 -4.191 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 9.620 -12.779 -5.983 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 9.181 -12.191 -6.633 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 9.357 -13.668 -6.256 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 4.564 -5.261 3.254 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 4.031 -4.975 4.027 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 5.275 -4.592 3.194 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 2.535 -12.486 0.498 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 1.788 -12.869 0.028 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.194 -12.316 -0.199 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 4.924 -10.388 0.074 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 4.736 -10.949 -0.706 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 5.021 -9.481 -0.301 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 8.128 -10.933 -7.445 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 8.351 -10.603 -8.327 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 8.142 -10.137 -6.884 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 7.451 -11.381 -4.350 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 6.609 -11.867 -4.233 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 8.014 -12.002 -4.845 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 6.368 -13.021 -6.769 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 6.367 -13.544 -7.593 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 6.861 -12.211 -7.003 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 10.919 -9.897 -5.375 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 11.247 -9.361 -4.638 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 10.281 -9.316 -5.830 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.094 -11.996 -2.072 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 4.645 -12.600 -2.620 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 3.540 -11.538 -2.715 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 11.859 -13.722 -8.309 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 10.885 -13.773 -8.462 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 12.208 -14.509 -8.752 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 5.527 -13.303 -4.100 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 5.475 -13.286 -5.080 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 6.286 -13.899 -3.915 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.675 -17.392 -1.430 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 10.997 -18.037 -0.770 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 11.099 -17.662 -2.253 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 16.152 2.567 -7.878 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 16.967 3.086 -8.049 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 15.730 2.485 -8.761 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 22.221 -11.936 -11.671 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 21.471 -11.955 -12.308 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 23.000 -11.862 -12.229 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 16.549 -9.769 -14.185 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 15.890 -10.500 -14.105 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 16.575 -9.380 -13.306 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 14.436 -4.769 -9.596 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 15.293 -4.541 -10.018 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 14.186 -5.626 -10.005 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 14.865 -11.837 -13.761 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 14.072 -11.925 -13.192 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 15.474 -12.536 -13.430 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 12.763 -18.592 -14.027 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 12.944 -19.527 -14.163 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 12.297 -18.321 -14.825 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 19.503 -18.294 0.118 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 20.086 -17.756 -0.462 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 20.079 -18.989 0.451 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 12.657 -11.973 -15.481 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 13.564 -11.917 -15.124 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 12.777 -12.000 -16.433 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 16.724 -3.694 -10.799 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 17.338 -3.826 -11.529 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 16.136 -2.961 -11.114 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 5.692 -7.900 -3.560 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 6.538 -8.375 -3.589 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 5.416 -7.956 -2.618 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 9.668 -1.782 -7.020 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 9.851 -1.699 -7.983 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 10.514 -2.117 -6.646 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 13.553 -2.779 -3.587 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 13.899 -3.640 -3.273 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 14.313 -2.159 -3.468 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 14.088 1.040 -4.042 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 14.670 1.779 -3.759 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 14.552 0.240 -3.720 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 15.524 -18.195 -6.390 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 15.941 -17.553 -7.013 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 16.247 -18.407 -5.750 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.516 -1.552 -9.603 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.348 -2.000 -9.879 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 10.803 -0.643 -9.368 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 13.347 -20.928 -8.652 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 13.026 -20.369 -9.367 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 12.966 -21.815 -8.851 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 14.223 -17.279 -12.083 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 13.677 -17.781 -12.727 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 15.145 -17.554 -12.288 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 12.132 -23.260 -9.504 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 11.261 -23.420 -9.883 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 12.513 -24.139 -9.401 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 7.932 -18.076 2.180 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 7.766 -18.990 1.846 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 7.319 -17.984 2.915 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.846 -19.222 0.355 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 11.705 -20.199 0.323 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 12.802 -19.124 0.278 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 5.265 -12.279 10.203 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 4.965 -13.222 10.150 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 5.786 -12.243 11.037 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 13.736 -9.295 8.955 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 13.495 -9.278 9.904 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 13.987 -10.223 8.792 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 4.635 -8.793 6.913 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 4.486 -8.607 5.962 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 4.679 -9.777 6.963 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 1.080 -14.601 5.829 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 1.033 -14.903 6.769 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 0.209 -14.232 5.658 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 3.754 -16.385 8.047 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 3.726 -16.251 7.075 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 3.751 -17.361 8.159 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 1.162 -15.445 8.409 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 2.066 -15.808 8.380 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 1.143 -14.924 9.243 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 1.906 -14.143 10.668 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 1.947 -13.179 10.832 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 2.838 -14.426 10.682 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 5.563 -8.839 9.542 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 6.242 -9.541 9.546 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.145 -8.918 8.661 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 4.560 -14.858 10.167 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 5.255 -15.423 10.578 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 4.256 -15.381 9.392 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 4.016 -6.244 7.732 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 4.685 -6.117 8.430 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 4.101 -7.189 7.490 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.194 -6.234 9.454 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 6.382 -5.850 10.319 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.982 -7.180 9.650 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 10.580 -4.904 5.189 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 10.215 -4.663 4.327 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 11.503 -5.149 4.996 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 12.825 -6.374 4.394 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 12.875 -6.603 5.342 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 13.246 -7.129 3.951 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 14.073 -12.049 8.689 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 13.201 -12.452 8.834 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 14.387 -12.459 7.862 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 14.292 -12.627 11.409 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 14.380 -12.343 10.477 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 15.088 -13.194 11.561 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 6.823 -6.789 5.140 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 6.010 -7.220 4.801 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 6.544 -5.872 5.336 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 10.327 -7.423 6.333 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 10.322 -6.483 6.046 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 9.551 -7.492 6.933 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 2.616 -11.456 10.712 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 2.414 -10.623 10.279 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 3.568 -11.587 10.551 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 6.655 -3.329 3.642 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 7.270 -2.572 3.696 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 6.498 -3.577 4.578 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 8.760 -6.704 3.048 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 8.136 -6.805 3.797 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 8.315 -6.063 2.453 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.786 -1.451 4.244 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 9.433 -1.883 4.818 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.716 -0.554 4.595 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 14.356 -3.191 0.871 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 15.023 -2.555 1.204 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 13.520 -2.677 0.861 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 11.007 -5.268 2.334 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.703 -5.578 2.939 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 10.248 -5.859 2.518 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 19.148 -15.173 15.223 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 19.411 -14.775 16.083 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 18.536 -15.908 15.480 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 5.250 -18.936 11.227 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 4.898 -18.977 10.317 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 4.457 -19.051 11.793 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 13.540 -17.003 13.501 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 14.344 -16.441 13.577 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 13.337 -17.250 14.422 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 7.499 -10.821 9.533 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 6.758 -11.461 9.572 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 7.954 -10.938 10.379 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 8.727 -12.268 14.464 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 8.651 -13.239 14.315 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 9.552 -12.172 14.985 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 6.237 -18.161 15.986 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 7.083 -18.475 15.627 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 5.567 -18.729 15.548 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 6.150 -14.509 3.382 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 5.315 -14.103 3.053 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 6.655 -14.702 2.568 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 3.600 -15.510 5.422 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 2.667 -15.201 5.521 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 3.771 -15.443 4.473 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 5.591 -13.609 5.904 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 4.871 -14.260 6.011 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 5.948 -13.798 5.010 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 12.968 -8.208 6.552 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 12.012 -8.038 6.684 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 13.283 -8.515 7.440 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 10.897 -11.983 16.141 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 11.573 -12.648 16.377 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 10.494 -11.735 17.003 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 5.096 -11.414 7.470 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 4.995 -11.795 8.361 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 5.240 -12.196 6.889 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 7.853 -10.538 16.462 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 7.147 -9.980 16.075 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 8.098 -11.144 15.737 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 10.515 -8.751 3.876 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.886 -8.129 3.462 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 10.625 -8.405 4.784 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 3.274 -4.698 5.661 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 3.399 -5.340 6.405 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 2.404 -4.314 5.826 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 6.091 -10.314 2.622 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 5.995 -10.514 1.671 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.187 -10.094 2.905 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 5.953 -4.290 6.104 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 4.976 -4.311 6.002 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 6.092 -4.357 7.058 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 7.918 -7.439 7.608 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 7.474 -7.223 6.762 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 7.414 -6.938 8.278 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 16.846 -0.776 -0.922 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 17.270 0.104 -0.900 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 16.564 -0.934 0.004 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 4.436 -7.902 4.225 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 4.348 -7.044 3.761 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 3.993 -8.542 3.628 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 10.940 -4.530 -0.332 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 10.876 -4.855 0.595 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 10.066 -4.131 -0.505 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 12.762 -14.553 9.352 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 13.613 -15.006 9.175 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 12.794 -14.355 10.299 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 7.677 -4.633 1.476 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 7.895 -3.946 0.817 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 7.259 -4.133 2.212 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 13.871 -12.489 4.235 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 13.816 -13.064 5.033 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 14.642 -11.914 4.417 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 7.528 -6.628 -0.384 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 8.434 -6.968 -0.222 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 7.437 -5.886 0.250 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 3.724 -13.399 2.842 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 3.095 -13.056 3.484 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 3.386 -13.077 1.978 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 1.151 -19.304 10.320 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 0.770 -18.461 10.035 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 0.370 -19.835 10.603 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 13.893 -10.671 16.746 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 14.570 -9.995 16.990 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 13.333 -10.729 17.527 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 8.655 -14.922 13.886 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 8.202 -15.767 13.979 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 9.610 -15.162 13.851 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 5.708 -15.520 19.656 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 5.447 -16.444 19.431 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 6.025 -15.159 18.822 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.546 -16.517 11.040 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 7.428 -16.727 10.686 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 6.134 -17.392 11.194 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 7.138 -12.435 12.201 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 7.210 -13.400 12.255 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 7.676 -12.115 12.956 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 12.854 -13.120 13.646 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 13.440 -13.076 12.859 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.613 -12.185 13.813 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.456 -10.501 14.349 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 13.114 -10.347 15.058 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.643 -10.740 14.833 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 11.343 -15.376 13.815 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 11.797 -14.510 13.709 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 11.990 -16.026 13.468 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.610 -16.330 16.129 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 12.943 -15.499 16.511 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 11.917 -16.044 15.509 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 -0.353 -14.883 19.528 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 -0.442 -14.219 20.238 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 0.609 -15.066 19.491 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 8.531 -2.925 -0.717 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 8.836 -2.400 0.063 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 8.247 -2.247 -1.360 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 3.386 -9.829 2.454 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 2.490 -10.172 2.362 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 3.806 -10.029 1.590 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.125 -8.922 4.196 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 13.665 -8.734 5.052 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.838 -9.536 4.443 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 12.916 -10.617 2.392 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 13.142 -9.823 2.924 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 13.256 -11.360 2.927 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 13.082 -10.074 11.588 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 13.575 -10.911 11.630 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 12.743 -9.954 12.494 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 15.683 -15.490 14.188 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.286 -16.164 14.591 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 15.604 -14.811 14.869 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 14.682 -13.785 6.565 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 14.704 -14.466 7.266 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 15.620 -13.525 6.457 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 11.261 -13.951 6.993 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 11.798 -14.238 7.755 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 11.084 -14.777 6.497 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 16.430 -1.572 1.685 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 17.180 -2.200 1.712 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 16.733 -0.823 2.221 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 0.975 -20.768 14.143 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 1.370 -20.610 15.036 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 0.035 -20.574 14.264 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 7.966 -17.264 5.778 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 7.355 -16.697 5.282 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 7.440 -17.581 6.528 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 7.884 -14.744 -3.920 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 8.150 -15.439 -4.533 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 7.985 -15.157 -3.026 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 9.286 -1.705 1.525 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 9.156 -1.560 2.481 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 10.257 -1.674 1.405 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 19.392 1.972 4.023 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 19.119 2.893 4.085 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 19.954 1.837 4.795 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 -2.753 -18.416 18.369 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 -3.668 -18.729 18.246 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 -2.859 -17.479 18.659 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 4.948 -17.788 18.392 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 5.458 -17.940 17.566 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 4.050 -18.099 18.179 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 3.799 -6.244 0.767 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 3.239 -5.501 0.525 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 4.167 -5.993 1.638 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 12.538 -10.914 23.842 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 11.829 -11.107 24.480 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 12.823 -11.794 23.529 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 10.527 -11.472 25.765 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 9.898 -11.571 26.513 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 9.949 -11.458 24.971 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 3.132 -12.532 29.306 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 3.092 -13.354 29.840 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 2.200 -12.216 29.286 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 0.701 -11.632 23.067 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 0.202 -12.398 22.700 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 1.027 -11.950 23.933 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 -0.582 -10.289 25.928 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 -0.009 -11.058 25.757 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 -1.442 -10.682 26.189 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 1.124 -14.282 27.379 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 1.347 -14.534 28.281 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 0.167 -14.491 27.302 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 4.741 -12.099 25.486 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 5.602 -12.570 25.478 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 4.498 -12.038 24.538 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 12.951 -7.677 31.060 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 13.407 -7.348 30.271 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 12.787 -8.627 30.858 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 8.767 -11.366 23.619 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 8.305 -10.523 23.554 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 8.824 -11.680 22.684 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 9.605 -11.206 18.432 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 9.648 -10.492 19.077 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 8.899 -10.919 17.803 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 15.785 -12.397 24.012 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 14.934 -12.868 23.870 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 16.036 -12.083 23.119 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 1.704 -12.168 25.689 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 1.504 -12.957 26.243 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.676 -12.178 25.607 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 5.628 -12.232 28.230 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 4.737 -12.338 28.628 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.442 -12.052 27.289 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 12.658 -10.234 27.270 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 11.902 -10.525 26.731 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 13.414 -10.245 26.650 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 3.700 -10.038 30.332 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 3.606 -10.948 29.988 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 3.095 -9.517 29.788 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 4.272 -12.363 22.830 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 3.796 -11.682 22.298 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 5.002 -12.653 22.250 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 12.169 -14.548 33.403 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 11.963 -15.147 34.150 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 12.602 -13.775 33.828 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 13.261 -13.510 16.340 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.222 -13.461 15.363 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 13.787 -12.732 16.596 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 5.451 -10.896 32.274 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 4.762 -10.505 31.688 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 6.145 -10.230 32.298 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 13.341 -13.584 23.584 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 13.090 -13.649 24.535 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 12.789 -14.263 23.142 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 2.858 -14.884 30.630 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 3.204 -15.528 29.973 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 3.449 -14.983 31.391 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 6.378 -13.848 21.671 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 6.076 -14.461 20.958 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 6.380 -14.395 22.467 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 -1.532 -14.853 27.557 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 -2.259 -14.857 26.898 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 -1.781 -15.565 28.194 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 -1.519 -16.261 23.957 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 -1.905 -15.575 24.538 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 -1.818 -17.099 24.353 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 10.281 -11.591 29.601 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 11.080 -11.064 29.783 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 10.297 -12.294 30.290 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 2.943 -14.575 23.871 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 3.357 -14.733 24.748 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 3.395 -13.777 23.534 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 8.500 -12.094 21.006 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 7.738 -12.703 21.106 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 8.767 -12.193 20.078 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 7.318 -12.993 25.310 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 7.841 -12.519 24.635 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 7.745 -12.749 26.156 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 12.789 -10.168 29.957 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 12.733 -10.148 28.968 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 13.685 -10.495 30.136 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 1.492 -9.845 27.674 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 0.687 -9.668 27.146 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 2.051 -10.364 27.079 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 14.477 -6.044 32.701 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.950 -6.055 33.511 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 13.964 -6.591 32.076 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 14.698 -10.207 25.364 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 13.977 -10.196 24.697 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 15.258 -10.964 25.090 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 10.333 -13.510 31.549 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 9.512 -14.027 31.683 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 10.975 -13.916 32.165 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 0.902 -15.713 22.518 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 0.263 -16.112 23.139 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 1.627 -15.372 23.100 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 12.763 -13.233 26.245 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 11.965 -12.701 26.402 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 13.245 -13.201 27.099 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 12.129 -7.436 33.689 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 11.256 -7.038 33.691 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 12.336 -7.561 32.737 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 2.708 -10.507 21.618 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 2.404 -9.653 21.305 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 1.934 -10.878 22.103 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 5.959 -13.263 30.898 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 5.757 -12.480 31.453 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 5.993 -12.911 29.990 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 5.926 -9.428 14.822 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 5.146 -8.872 14.742 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.909 -9.978 14.030 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 15.307 -8.585 17.785 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 16.213 -8.467 18.145 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 14.931 -7.702 17.806 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 7.960 -14.981 31.723 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 7.941 -15.636 30.997 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 7.245 -14.345 31.488 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 8.486 -11.901 27.599 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 9.109 -11.760 28.355 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 7.605 -11.915 28.018 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 11.070 -12.851 36.247 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.266 -12.647 35.761 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 11.790 -12.577 35.647 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 13.342 -12.379 34.677 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 13.389 -11.407 34.850 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.047 -12.764 35.254 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 5.577 -13.502 34.673 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 4.745 -13.801 35.095 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 5.328 -12.701 34.194 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 7.500 -15.440 34.391 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.868 -14.702 34.558 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 7.773 -15.307 33.454 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 11.556 -16.379 35.491 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 11.933 -17.241 35.762 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 10.632 -16.600 35.234 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 4.126 -16.830 34.389 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 4.829 -17.150 34.995 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 3.947 -15.922 34.695 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 9.129 -17.557 35.032 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 8.668 -18.356 34.727 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 8.523 -16.825 34.795 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 18.862 -9.977 22.260 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 18.183 -10.642 22.009 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 19.704 -10.342 21.898 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 18.211 -13.713 23.728 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 18.850 -13.572 24.455 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 17.392 -13.270 24.039 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 15.996 -8.489 27.059 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 16.490 -7.999 26.390 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 15.434 -9.106 26.538 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 17.377 -12.854 19.045 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.926 -13.662 19.074 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.735 -12.344 18.295 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 17.191 -12.068 21.608 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 17.535 -12.891 21.994 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 17.096 -12.275 20.646 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 0.620 -11.585 29.620 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 -0.315 -11.815 29.413 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 0.808 -10.809 29.049 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 13.430 -9.652 34.781 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 12.896 -8.885 34.492 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 14.350 -9.399 34.555 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 18.582 -14.772 36.309 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 17.742 -15.135 36.673 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 18.378 -14.618 35.356 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 18.889 -15.145 19.423 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 19.437 -15.780 19.902 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 18.403 -15.700 18.753 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 3.206 -14.546 35.668 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 2.951 -15.164 36.393 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 2.374 -14.132 35.412 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 -3.928 -12.295 30.438 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 -3.912 -13.136 30.929 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 -3.085 -12.295 29.940 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 -6.838 -17.540 23.201 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 -6.325 -16.720 23.180 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 -6.499 -18.015 23.993 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 1.234 -19.927 20.807 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 0.681 -20.634 20.467 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 0.754 -19.109 20.564 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 2.217 -15.763 20.025 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 3.132 -15.508 20.209 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 1.813 -15.872 20.915 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 11.946 -18.968 36.309 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 12.798 -19.399 36.547 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 11.488 -19.636 35.755 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 6.147 -17.017 36.213 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 6.678 -16.469 35.600 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 6.398 -16.708 37.085 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 12.501 -14.749 37.551 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 12.216 -15.394 36.872 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 11.946 -13.958 37.371 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 10.772 -17.718 38.404 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 11.157 -18.228 37.652 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 9.991 -17.297 38.025 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 8.601 -21.089 36.157 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 9.517 -21.127 35.817 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 8.127 -20.542 35.504 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 15.042 -11.389 32.622 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 14.415 -11.843 33.212 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 15.365 -10.632 33.151 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 14.862 -13.897 36.389 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 15.453 -14.667 36.474 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 14.111 -14.109 36.977 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 18.074 -15.996 40.060 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 17.351 -16.576 39.739 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 17.844 -15.820 40.975 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 16.362 -16.276 36.995 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 16.104 -16.666 37.856 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 16.461 -17.047 36.405 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 1.488 -17.335 34.689 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 2.429 -17.248 34.408 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 1.495 -17.049 35.623 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 13.104 -16.593 39.472 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 13.148 -15.734 39.005 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 12.274 -16.991 39.148 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 3.801 -23.504 36.495 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 2.906 -23.831 36.703 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 4.382 -24.218 36.777 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 11.721 -18.792 40.744 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 11.234 -18.452 39.965 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 12.356 -18.091 40.950 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 18.496 4.093 -7.750 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 19.162 4.223 -8.436 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 18.274 4.987 -7.461 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 14.355 4.838 -8.118 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 14.924 5.110 -8.865 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 14.929 4.281 -7.574 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 9.388 -3.716 -10.995 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 9.729 -2.986 -10.432 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 8.480 -3.455 -11.194 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 11.976 0.472 -5.717 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 12.661 0.814 -5.100 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 11.146 0.514 -5.202 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 15.934 4.774 -10.418 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 16.087 5.084 -11.315 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 15.502 3.901 -10.535 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 11.826 0.677 -8.535 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 11.891 1.646 -8.691 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 11.929 0.586 -7.563 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 17.889 1.979 -5.780 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 17.145 1.996 -6.415 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 18.525 2.613 -6.149 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 5.991 0.873 -3.284 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 5.957 1.622 -2.676 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 5.182 0.949 -3.801 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 12.024 -1.061 -1.953 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 12.300 -0.163 -2.172 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 12.523 -1.625 -2.571 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 9.313 -0.031 -4.918 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 9.391 -0.614 -5.705 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 8.660 0.628 -5.175 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 7.784 -1.227 -2.875 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 8.502 -0.817 -3.400 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 7.064 -0.560 -2.897 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 16.493 2.245 -3.385 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 17.022 2.218 -4.205 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 17.120 1.981 -2.687 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 18.576 1.361 -1.727 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 19.002 0.628 -2.229 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 19.280 2.008 -1.614 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 15.230 0.351 -6.484 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 14.747 0.730 -5.728 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 15.410 1.119 -7.062 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 12.270 3.351 -8.996 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 12.934 3.932 -8.551 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 11.567 3.957 -9.258 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 14.624 2.371 -10.215 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 13.739 2.667 -9.923 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 14.488 1.432 -10.468 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 15.267 -1.828 -12.081 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 14.664 -1.999 -12.839 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 14.901 -1.029 -11.663 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 13.331 -2.373 -13.940 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 12.659 -2.976 -13.558 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 12.901 -2.000 -14.716 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 11.863 -2.099 0.569 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 11.619 -3.001 0.280 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 11.896 -1.583 -0.269 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 18.801 0.080 2.145 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 18.937 0.645 2.941 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 19.118 0.623 1.417 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 22.650 -43.189 15.272 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 22.628 -42.565 14.529 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 21.746 -43.553 15.305 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 20.919 -40.242 15.465 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 21.233 -40.724 14.676 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 20.265 -39.610 15.115 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 16.599 -44.432 13.647 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 16.832 -44.344 12.710 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 16.984 -43.642 14.059 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 18.084 -43.000 11.660 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 18.135 -42.818 10.719 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 18.975 -43.363 11.885 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 19.970 -43.967 15.306 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 19.736 -44.927 15.345 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 19.857 -43.663 16.240 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 20.117 -47.106 18.606 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 20.660 -47.894 18.744 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 20.742 -46.358 18.730 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 20.502 -43.695 12.603 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 21.231 -43.057 12.688 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 20.382 -44.041 13.509 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 16.962 -41.758 18.375 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 17.317 -42.386 19.031 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 16.874 -40.908 18.876 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 23.408 -43.401 17.915 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 23.206 -43.309 16.956 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 24.314 -43.040 18.004 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 19.186 -46.446 16.009 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 18.212 -46.404 16.038 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 19.439 -46.784 16.887 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 18.137 -42.149 14.273 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 18.872 -42.691 14.630 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 18.216 -42.248 13.302 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 21.996 -41.338 13.127 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 21.416 -41.106 12.363 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 22.627 -40.584 13.180 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 25.686 -38.889 14.977 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 26.187 -39.639 15.361 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 24.845 -39.282 14.698 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 23.155 -38.857 13.350 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 23.769 -38.097 13.293 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 22.271 -38.456 13.226 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 18.566 -38.436 11.234 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 18.329 -38.250 10.301 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 17.796 -38.125 11.738 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 20.033 -48.964 29.570 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 19.129 -48.808 29.273 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 20.066 -49.935 29.746 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 17.568 -47.713 22.727 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 17.692 -47.399 21.812 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 17.714 -46.920 23.274 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 17.505 -45.422 24.336 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 16.547 -45.573 24.532 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 17.674 -44.529 24.674 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 33.410 -37.646 26.787 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 34.272 -37.331 26.508 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 33.528 -37.858 27.739 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 24.879 -42.117 30.275 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 24.248 -42.734 29.842 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 24.377 -41.756 31.031 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 17.931 -48.866 25.232 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 18.890 -48.671 25.207 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 17.641 -48.743 24.305 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 25.598 -48.204 21.934 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 25.562 -48.015 20.988 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 26.483 -47.933 22.198 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 27.378 -40.583 22.759 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 26.982 -39.689 22.855 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 28.317 -40.443 22.908 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 22.245 -45.867 29.095 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 21.654 -45.774 29.850 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 22.591 -44.961 28.951 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 30.746 -37.152 26.542 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 30.719 -36.244 26.150 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 31.695 -37.413 26.475 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 20.598 -48.083 25.159 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 21.197 -48.288 24.427 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 21.155 -48.181 25.960 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 21.855 -48.093 27.628 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 22.099 -47.232 28.047 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 21.265 -48.514 28.288 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 25.501 -40.856 27.899 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 25.298 -41.414 28.681 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 24.616 -40.602 27.550 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 22.750 -43.214 28.952 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 22.198 -42.930 29.729 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 22.401 -42.696 28.216 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 26.313 -36.755 25.426 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 26.977 -36.846 26.151 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 25.485 -36.561 25.889 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 23.686 -48.842 25.736 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 23.126 -48.518 26.476 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 24.285 -49.469 26.152 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 27.799 -41.988 33.506 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 28.389 -42.747 33.323 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 27.173 -42.336 34.170 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 27.187 -35.613 21.727 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 27.186 -35.851 20.779 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 26.239 -35.423 21.925 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 27.893 -34.782 24.209 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 27.820 -35.038 23.263 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 27.321 -35.425 24.673 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 24.415 -54.449 31.288 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 24.915 -54.142 32.046 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 24.823 -55.285 31.055 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 26.268 -42.389 21.034 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 25.795 -42.932 21.667 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 26.707 -41.703 21.587 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 26.996 -40.676 31.296 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 26.319 -41.234 30.856 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 27.320 -41.236 32.040 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 19.129 -46.131 26.536 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 18.612 -45.905 25.741 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 19.828 -46.725 26.200 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 25.768 -42.026 18.381 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 26.093 -42.274 19.278 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 25.213 -41.228 18.544 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 15.609 -48.279 32.600 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 15.735 -47.622 31.888 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 14.672 -48.539 32.517 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 28.320 -44.687 33.566 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 28.157 -45.605 33.344 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 27.584 -44.449 34.171 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 19.673 -43.667 17.973 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 20.424 -44.143 18.372 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 19.046 -43.549 18.710 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 23.170 -48.567 23.077 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 24.089 -48.486 22.735 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 23.288 -48.657 24.050 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 23.782 -38.515 30.511 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 23.279 -37.975 29.857 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 24.677 -38.586 30.116 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 28.625 -39.202 29.721 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 28.112 -39.778 30.336 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 28.646 -39.716 28.876 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 24.381 -39.742 18.828 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 23.751 -39.384 18.160 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.239 -39.179 19.619 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 26.423 -38.010 22.988 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 26.327 -37.683 23.913 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 26.895 -37.287 22.530 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 23.939 -40.109 36.568 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 24.681 -39.479 36.756 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 23.543 -40.277 37.453 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 26.819 -38.782 18.004 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 27.151 -39.360 17.297 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 25.984 -39.206 18.285 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 21.745 -44.999 19.262 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 22.323 -45.597 19.795 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 22.388 -44.433 18.761 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 23.528 -40.633 32.269 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 23.661 -39.867 31.663 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 22.740 -41.106 31.889 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 27.060 -40.947 16.228 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 27.740 -41.556 15.923 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 26.620 -41.428 16.969 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.083 -45.713 31.878 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.582 -44.884 31.662 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 18.508 -45.843 31.110 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 23.169 -46.854 20.608 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 23.278 -46.907 21.568 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 22.966 -47.776 20.341 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 20.127 -51.621 30.115 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 20.972 -51.999 30.387 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 19.480 -52.296 30.344 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 22.600 -49.499 20.498 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 22.654 -49.346 21.466 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.531 -50.454 20.414 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 28.156 -40.628 27.497 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 28.423 -41.144 26.732 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 27.182 -40.757 27.547 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.412 -38.027 21.009 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 25.052 -38.250 21.718 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.000 -37.203 21.315 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 18.567 -44.967 29.081 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 19.069 -45.170 28.267 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 19.165 -44.368 29.592 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 19.787 -48.319 32.272 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 20.025 -48.527 31.349 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 19.619 -47.353 32.265 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 16.896 -47.511 27.353 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 17.051 -48.157 26.624 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 17.724 -46.987 27.378 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 23.432 -38.697 34.236 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 23.466 -39.416 33.577 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 23.516 -39.159 35.097 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.025 -38.366 28.927 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 26.992 -38.357 29.051 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 25.855 -39.202 28.441 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 26.122 -36.534 19.332 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 25.443 -36.989 19.862 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 26.508 -37.250 18.772 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 21.921 -42.302 45.910 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 21.938 -43.242 45.638 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 22.634 -41.889 45.390 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 20.678 -46.475 43.328 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 20.227 -47.327 43.180 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 20.559 -45.998 42.487 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 22.008 -44.970 45.143 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 21.481 -45.522 44.510 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 22.091 -45.529 45.923 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.147 -45.172 40.765 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 22.532 -45.940 40.753 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 22.951 -44.717 41.613 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 23.776 -41.018 44.087 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 24.122 -40.280 44.630 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 23.901 -40.707 43.156 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 21.301 -47.180 40.345 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 20.661 -46.748 39.747 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 20.744 -47.735 40.928 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 16.577 -43.708 47.316 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 16.944 -43.097 46.647 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 16.426 -43.156 48.082 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 25.879 -38.306 37.059 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 26.836 -38.240 37.076 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 25.574 -37.477 37.499 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 25.393 -44.002 39.866 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 25.678 -43.477 40.621 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 24.652 -44.553 40.222 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 20.218 -44.238 41.486 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 20.517 -43.878 42.331 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 19.993 -43.440 40.953 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 22.823 -40.633 39.066 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 22.039 -40.122 39.369 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 22.528 -41.564 39.086 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 19.676 -47.146 36.944 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 20.229 -46.579 36.370 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.541 -46.609 37.751 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 23.099 -43.590 43.033 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 23.467 -42.767 43.400 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 22.829 -44.105 43.820 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 22.667 -37.463 43.265 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 22.042 -38.206 43.164 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 23.289 -37.771 43.957 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 19.937 -41.050 47.272 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 20.667 -41.565 46.848 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 20.070 -41.185 48.219 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 24.051 -42.124 34.768 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 23.957 -41.705 33.891 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 24.111 -41.364 35.393 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 21.782 -42.836 36.224 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 22.148 -43.022 37.120 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 22.568 -42.598 35.688 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.140 -45.374 35.374 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.845 -45.572 34.746 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 21.353 -44.472 35.699 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 26.506 -44.890 37.564 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 26.098 -44.519 38.378 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 27.160 -45.513 37.891 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 23.730 -39.899 41.619 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 23.533 -40.245 40.727 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 23.630 -38.942 41.527 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 19.639 -49.757 39.265 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.503 -49.329 39.207 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 19.306 -49.748 38.343 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 26.292 -43.682 35.147 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 25.405 -43.268 35.097 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 26.318 -44.091 36.046 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 18.640 -44.754 34.453 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 19.465 -45.090 34.853 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 18.652 -45.116 33.545 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 22.858 -43.396 38.646 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 23.824 -43.350 38.763 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 22.580 -44.092 39.276 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 23.433 -34.224 38.710 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.185 -33.581 39.396 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 22.567 -34.541 38.349 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 19.845 -36.660 50.825 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 20.113 -36.067 50.092 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 20.652 -37.148 51.040 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.278 -39.381 49.948 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 22.557 -39.556 50.590 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.933 -38.649 49.399 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 23.635 -34.928 46.030 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 23.556 -34.726 45.077 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 24.436 -35.485 46.087 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 21.272 -39.867 43.726 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.051 -40.450 43.676 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 20.517 -40.456 43.498 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 28.005 -39.166 51.016 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 27.198 -39.614 50.667 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 28.178 -39.611 51.848 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 33.501 -38.084 29.486 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 33.646 -38.597 30.283 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 32.536 -37.885 29.498 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.824 -14.393 -2.984 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 22.643 -13.942 -3.262 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 21.524 -13.881 -2.209 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 20.071 -27.722 10.905 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 19.523 -27.933 11.691 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 20.891 -27.348 11.281 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 15.267 -23.965 14.124 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 16.063 -24.483 13.876 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 14.534 -24.585 14.001 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 19.847 -31.916 10.777 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 20.743 -31.634 11.086 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 19.724 -32.794 11.184 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 22.382 -26.440 11.987 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 22.004 -25.596 11.713 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 22.916 -26.214 12.789 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 20.212 -29.756 9.026 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 20.237 -29.021 9.672 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 20.112 -30.556 9.577 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 16.568 -29.071 14.769 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 15.767 -28.746 15.179 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 17.295 -28.751 15.368 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 17.257 -28.627 5.738 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 16.746 -29.459 5.652 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 18.156 -28.927 5.985 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 23.756 -28.829 11.691 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 24.383 -28.552 11.017 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 23.205 -28.035 11.847 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 22.022 -26.427 16.204 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 22.268 -27.340 15.945 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 21.108 -26.311 15.839 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 22.330 -25.047 18.636 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.256 -24.784 18.642 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 22.191 -25.414 17.736 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 18.275 -22.197 6.681 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 17.971 -21.758 7.501 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 18.815 -22.928 6.992 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 23.777 -25.709 14.221 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 24.639 -25.741 14.690 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 23.118 -25.852 14.930 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 20.673 -18.784 6.451 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 20.152 -19.093 7.224 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 21.585 -18.959 6.700 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.648 -37.697 12.985 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.029 -37.933 12.264 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 20.103 -37.768 13.796 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 22.175 -31.073 11.777 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.035 -31.035 12.747 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 22.813 -30.350 11.602 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 18.565 -28.293 13.142 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 17.777 -28.702 13.570 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 19.078 -27.932 13.895 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 17.827 -26.723 9.503 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 17.772 -25.858 9.976 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 18.660 -27.117 9.831 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 21.526 -30.736 18.316 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.264 -31.245 17.910 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 21.072 -31.391 18.871 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 18.238 -35.001 10.449 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 17.578 -35.628 10.793 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 18.760 -34.743 11.239 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 20.487 -40.406 11.052 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 20.812 -40.173 10.178 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 19.737 -39.791 11.201 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 24.527 -26.622 0.954 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.313 -26.111 1.153 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 24.466 -26.606 -0.002 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 22.458 -28.301 19.263 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 21.963 -27.572 18.863 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 22.029 -29.111 18.903 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 21.810 -30.914 14.466 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 22.349 -30.179 14.828 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.967 -30.862 14.973 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 22.801 -33.453 14.907 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 22.544 -34.092 14.215 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 22.499 -32.588 14.561 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 22.125 -35.375 12.978 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 23.063 -35.658 12.907 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 21.621 -36.216 12.958 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 23.331 -28.783 15.451 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 23.945 -28.721 14.708 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 23.897 -28.649 16.246 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 19.773 -34.085 12.514 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 19.691 -33.631 13.360 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 20.654 -34.525 12.563 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 24.626 -36.469 13.242 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.533 -36.613 12.944 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 24.721 -36.244 14.196 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 23.244 -32.747 17.469 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 24.059 -33.217 17.738 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.119 -33.006 16.524 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.003 -36.423 15.995 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 24.262 -36.721 16.536 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 25.469 -37.255 15.750 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.693 -38.719 16.963 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.112 -37.944 17.086 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.151 -39.343 16.431 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 16.952 -24.399 1.266 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 16.633 -24.920 0.519 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 17.076 -25.062 1.984 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 19.641 -19.483 8.904 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 18.811 -20.010 8.935 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 19.988 -19.535 9.815 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 16.243 -26.501 7.236 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 16.765 -26.464 8.064 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 16.640 -27.242 6.736 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 20.938 -32.456 6.858 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 20.233 -33.037 7.206 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 21.571 -32.395 7.579 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.486 -30.134 6.483 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 19.812 -29.808 7.358 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 20.067 -30.900 6.288 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 17.350 -25.728 13.512 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 18.060 -25.717 14.191 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 17.445 -26.598 13.090 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 25.712 -26.059 16.139 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.378 -25.731 16.759 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 25.305 -26.813 16.607 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 24.625 -16.244 16.963 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 24.823 -15.511 17.588 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 25.409 -16.802 16.996 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 17.939 -24.482 11.074 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 17.711 -24.841 11.952 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 18.347 -23.612 11.271 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 16.936 -17.125 10.304 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 16.766 -18.055 10.554 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 17.471 -16.778 11.045 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 17.384 -20.995 9.054 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 16.575 -20.436 9.038 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 17.350 -21.433 9.918 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 16.287 -20.733 1.131 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 15.690 -21.104 0.447 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 17.058 -20.442 0.638 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 28.033 -18.578 22.874 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 27.897 -19.335 23.481 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.139 -18.401 22.518 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 24.435 -24.577 27.931 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 24.436 -23.854 28.569 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.202 -24.151 27.083 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 24.830 -29.743 29.169 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 25.093 -30.092 28.289 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.909 -28.773 29.075 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 27.749 -22.783 22.899 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 26.896 -22.483 22.515 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 27.883 -22.194 23.654 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 21.901 -20.395 30.061 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 21.769 -21.223 29.588 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.312 -20.472 30.851 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 17.982 -22.308 31.994 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 18.119 -23.257 32.183 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 17.304 -22.033 32.641 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 22.924 -36.603 28.794 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 23.754 -36.186 28.487 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 22.237 -36.229 28.207 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 28.515 -23.337 20.352 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 28.660 -24.300 20.290 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 28.372 -23.178 21.312 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 27.634 -31.954 21.696 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 28.282 -32.659 21.601 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 27.189 -31.919 20.830 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.274 -26.989 28.931 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 26.168 -26.938 28.580 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 24.807 -26.233 28.506 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.512 -23.620 35.601 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 22.223 -23.303 36.479 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 22.383 -22.851 35.019 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 19.894 -29.198 34.550 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 18.957 -29.318 34.221 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 20.120 -30.063 34.916 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 26.701 -20.519 24.292 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 26.116 -20.870 23.579 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 26.080 -20.171 24.963 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 21.359 -21.209 34.460 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 21.082 -20.973 33.551 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 20.571 -21.642 34.841 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 27.478 -20.773 20.133 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 27.956 -21.620 19.997 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 26.762 -21.006 20.761 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 32.226 -18.458 23.363 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 32.179 -19.400 23.170 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 33.030 -18.359 23.882 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 18.303 -24.865 33.207 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.006 -25.404 33.627 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 17.536 -25.478 33.160 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 29.227 -35.210 29.444 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 30.184 -35.344 29.370 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 28.965 -35.772 30.206 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 25.547 -34.284 17.822 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 25.415 -34.757 16.974 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 25.781 -34.999 18.455 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 27.363 -32.038 24.531 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 27.364 -31.799 23.581 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 27.522 -33.005 24.532 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.880 -33.116 33.994 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 23.531 -33.142 34.725 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.211 -33.778 34.251 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 28.643 -30.917 28.576 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 28.194 -31.716 28.925 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.092 -30.190 28.873 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 29.587 -32.100 26.285 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 28.801 -31.904 25.743 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 29.413 -31.640 27.134 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 19.740 -30.491 16.160 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 19.262 -29.627 16.154 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 20.266 -30.467 16.981 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.939 -33.574 18.753 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 21.680 -33.356 18.152 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 21.296 -34.281 19.316 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 19.952 -26.441 34.810 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 20.899 -26.345 35.047 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 19.836 -27.407 34.685 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 25.562 -30.555 26.610 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.169 -31.034 26.018 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 24.720 -30.550 26.135 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 28.621 -28.379 21.853 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 28.887 -29.087 22.450 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 27.890 -28.771 21.328 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 29.063 -26.081 20.418 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 30.015 -26.113 20.291 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 28.883 -26.803 21.065 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 22.624 -26.426 35.423 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.742 -25.451 35.494 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 23.030 -26.655 34.565 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 24.128 -23.518 25.343 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.912 -24.062 25.210 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 23.923 -23.172 24.429 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.646 -22.960 31.439 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 24.552 -23.930 31.299 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.881 -22.880 32.369 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 24.104 -29.104 21.311 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 23.459 -28.768 20.651 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 23.663 -28.981 22.158 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 28.229 -36.997 31.294 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 28.461 -37.778 30.749 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 27.953 -37.379 32.150 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 30.288 -34.660 25.617 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 29.481 -34.721 25.072 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 30.283 -33.734 25.944 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 28.185 -36.620 27.365 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 28.531 -36.031 28.068 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 28.994 -36.959 26.924 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.395 -33.167 29.463 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.146 -33.768 29.274 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 27.024 -33.512 30.306 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 25.500 -35.792 28.142 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 25.661 -36.705 28.476 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 26.387 -35.465 27.919 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 21.115 -22.918 37.946 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 20.591 -22.330 38.520 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 20.451 -23.519 37.552 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 24.733 -28.089 17.703 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 24.032 -28.249 18.368 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 25.467 -27.685 18.221 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 16.590 -27.095 33.212 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 16.163 -27.290 32.355 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 16.996 -27.953 33.473 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 26.816 -26.872 18.961 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.865 -27.713 19.463 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 27.539 -26.332 19.335 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.587 -29.294 20.217 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.723 -29.244 20.693 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.568 -30.169 19.785 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 21.189 -29.014 32.078 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 20.708 -29.146 32.922 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 20.483 -28.786 31.434 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 26.542 -31.869 18.957 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.135 -32.739 18.752 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.724 -31.489 18.090 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 24.520 -25.682 31.290 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 24.091 -26.309 31.907 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 24.781 -26.237 30.530 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.413 -30.694 31.295 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.686 -30.052 31.397 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.935 -30.352 30.531 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 23.656 -36.095 31.972 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.655 -36.909 31.437 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.428 -36.201 32.565 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 24.447 -33.780 36.198 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 24.276 -34.690 35.872 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 24.105 -33.788 37.115 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 27.257 -38.783 33.279 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 26.981 -39.314 32.503 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 27.603 -39.439 33.900 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 18.866 -33.713 34.081 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 18.554 -32.868 34.481 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 18.074 -34.083 33.660 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.660 -34.710 31.618 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.300 -35.010 32.475 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.247 -35.440 31.344 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 25.864 -36.386 33.640 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 26.268 -37.276 33.701 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.266 -36.339 34.412 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 19.113 -17.933 32.024 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 18.382 -17.973 31.361 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 18.654 -17.737 32.871 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.108 -20.547 32.059 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 19.701 -19.656 32.116 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 19.337 -21.161 32.033 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 24.423 -20.168 31.122 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 24.669 -21.109 31.210 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 23.537 -20.193 30.712 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 17.860 -14.947 33.681 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 17.309 -14.756 32.898 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 17.671 -15.893 33.883 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 17.053 -18.360 30.332 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 16.137 -18.019 30.412 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 16.951 -19.192 29.862 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.008 -19.474 26.238 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.246 -20.091 26.327 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.175 -19.172 27.139 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 22.872 -19.999 23.574 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.137 -20.920 23.345 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 22.833 -20.001 24.540 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.522 -33.280 28.988 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.838 -34.151 28.681 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.317 -32.720 28.965 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 30.851 -37.676 29.230 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 30.768 -37.519 28.264 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 30.092 -38.253 29.444 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 24.553 -35.429 22.229 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 24.104 -35.812 23.015 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 23.865 -34.906 21.792 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 21.038 -30.443 45.340 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 21.969 -30.688 45.480 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 21.009 -30.120 44.410 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 19.363 -32.255 42.114 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 18.970 -31.744 42.852 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 19.079 -31.774 41.312 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.744 -30.135 44.867 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 26.124 -29.642 45.602 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 26.524 -30.459 44.364 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 23.814 -35.248 48.762 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 23.615 -34.974 47.840 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.282 -36.056 48.888 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 16.711 -28.046 38.846 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 17.384 -28.624 38.430 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 15.939 -28.139 38.277 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 28.363 -36.856 49.643 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 28.146 -37.685 50.130 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 29.321 -36.842 49.620 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 24.697 -30.801 42.273 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 24.824 -30.206 43.028 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 24.978 -31.675 42.610 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 23.674 -31.530 46.113 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.264 -31.006 45.534 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 24.290 -32.017 46.696 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.427 -32.241 51.027 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 20.807 -32.519 51.734 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 20.847 -31.886 50.330 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 18.862 -30.719 39.905 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 19.796 -30.408 39.934 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 18.594 -30.576 38.971 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 19.090 -28.712 49.932 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 19.634 -28.088 50.423 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 18.793 -28.202 49.137 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 16.726 -25.820 40.561 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 16.722 -26.590 39.949 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 16.983 -26.197 41.415 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 23.833 -32.659 49.742 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 23.070 -32.430 50.317 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 23.758 -33.627 49.622 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 25.717 -32.683 47.779 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 26.128 -33.524 48.079 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 25.098 -32.450 48.512 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 27.682 -31.249 43.265 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 27.990 -31.003 42.387 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 27.066 -31.993 43.105 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 20.526 -35.109 48.610 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 21.033 -34.366 48.217 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 19.613 -34.753 48.694 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.594 -36.154 35.212 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.518 -37.094 34.939 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 22.695 -35.793 35.067 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 25.967 -36.348 46.032 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 26.251 -36.172 46.955 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 26.458 -35.689 45.508 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.206 -31.752 40.214 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.803 -31.385 40.911 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.577 -31.396 39.370 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.944 -30.466 37.975 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.472 -29.617 37.836 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.105 -30.797 37.086 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 26.967 -33.691 45.514 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 26.489 -33.299 46.280 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 27.873 -33.375 45.614 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 26.588 -35.198 48.451 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.732 -35.343 48.902 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 27.230 -35.749 48.962 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.643 -29.350 42.821 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 19.767 -28.982 42.632 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 21.045 -29.472 41.941 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 19.790 -31.198 48.991 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.063 -31.201 48.328 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 19.697 -30.329 49.439 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.135 -34.962 37.503 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 21.020 -35.095 36.547 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 20.299 -35.282 37.894 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 17.801 -34.886 51.568 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 17.848 -34.484 50.673 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 18.419 -35.645 51.517 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 21.379 -29.724 40.122 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 22.004 -30.481 40.171 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 21.767 -29.140 39.447 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 25.662 -33.184 43.204 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.097 -33.454 44.043 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 24.925 -33.823 43.102 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.557 -35.876 38.208 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.731 -35.489 38.571 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 25.944 -35.159 37.696 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 21.720 -33.514 41.690 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 22.166 -32.829 41.151 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 20.837 -33.124 41.890 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.451 -25.740 38.558 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.723 -25.544 37.942 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.872 -24.880 38.704 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 22.461 -28.147 37.704 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 22.160 -27.373 38.228 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 22.576 -27.785 36.803 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 15.653 -20.199 39.853 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 14.949 -20.751 40.240 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 15.936 -20.698 39.063 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 23.408 -27.642 32.927 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.965 -28.429 32.990 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.546 -27.986 32.604 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 21.488 -32.713 47.451 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 21.060 -32.103 48.089 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 22.304 -32.244 47.183 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.758 -40.466 50.238 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.923 -39.946 50.173 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.521 -41.331 49.898 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.172 -19.132 34.899 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.750 -18.665 35.648 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 22.631 -19.944 34.789 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 18.994 -21.561 39.289 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 18.867 -20.915 38.558 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 18.616 -21.121 40.062 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 15.739 -17.482 39.448 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 14.799 -17.214 39.564 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 15.736 -18.451 39.630 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 18.623 -28.917 45.515 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 18.214 -29.659 45.003 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.549 -29.206 45.642 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 19.390 -32.963 52.734 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 19.153 -32.863 53.658 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 18.773 -33.645 52.398 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 22.046 -37.384 48.475 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 21.437 -36.613 48.479 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 21.771 -37.898 47.681 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.207 -38.448 45.341 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 24.937 -37.833 45.578 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 23.658 -38.486 46.141 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 18.392 -19.871 37.188 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 17.642 -19.529 36.641 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 19.119 -19.253 36.994 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 21.080 -35.218 34.601 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 20.270 -34.676 34.444 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.907 -36.056 34.110 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 23.398 -34.829 43.303 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 22.826 -34.325 42.669 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 23.226 -35.773 43.081 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 21.129 -39.783 51.649 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 20.170 -39.619 51.486 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 21.152 -40.205 52.511 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 22.144 -17.374 36.804 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.193 -17.421 36.542 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 22.125 -17.024 37.704 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.776 -7.932 -5.456 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 21.626 -7.020 -5.724 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 22.254 -8.330 -6.220 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 23.152 -8.394 -7.776 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.802 -7.884 -8.537 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 24.021 -8.682 -8.067 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 16.474 -13.656 -12.446 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 17.341 -13.546 -12.005 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 15.833 -13.697 -11.704 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 18.996 -13.338 -11.209 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 19.735 -13.351 -10.569 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 19.405 -13.008 -12.037 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 20.597 -14.690 -14.800 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.747 -14.620 -15.280 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.923 -15.567 -15.020 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 19.285 -11.087 -4.006 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 19.827 -11.683 -4.562 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 19.095 -11.616 -3.206 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.281 -13.266 -9.502 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 21.942 -13.962 -9.405 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 21.658 -12.673 -10.194 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 24.511 -3.174 -12.612 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 25.311 -3.048 -13.134 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 23.886 -2.538 -12.978 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 24.510 -14.577 -7.489 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.218 -15.038 -7.950 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 24.431 -15.054 -6.630 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 22.772 -11.211 -2.368 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 22.462 -10.290 -2.496 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 22.172 -11.573 -1.693 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 19.536 -4.153 -4.095 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 19.688 -4.235 -5.054 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 20.155 -3.461 -3.819 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 20.905 -4.827 -9.200 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 21.220 -5.740 -9.368 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 21.517 -4.272 -9.701 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 18.263 -4.172 -8.534 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 17.706 -3.983 -9.319 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 19.117 -4.465 -8.911 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 23.323 -12.371 -6.426 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 23.743 -13.118 -6.917 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.284 -11.655 -7.071 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 20.225 -12.344 -13.484 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 20.479 -13.199 -13.909 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 19.654 -11.909 -14.149 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 22.223 -8.527 -2.798 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 23.066 -8.079 -2.664 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 22.044 -8.420 -3.762 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 17.439 -14.145 -9.112 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 17.969 -13.669 -8.430 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 17.927 -13.975 -9.948 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 17.171 -15.725 -14.126 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 16.840 -15.049 -13.497 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 17.563 -15.201 -14.849 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 19.705 -7.852 -1.883 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.633 -8.133 -2.047 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 19.270 -7.958 -2.760 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 22.511 -6.901 -10.022 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 23.229 -6.240 -10.183 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 22.370 -7.309 -10.885 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 18.949 -12.617 -1.743 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.812 -12.659 -1.277 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 18.702 -13.561 -1.867 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 20.236 -3.705 -6.718 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 19.352 -3.655 -7.140 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 20.800 -4.099 -7.409 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.808 -12.975 -5.313 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 20.983 -13.682 -4.666 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 21.690 -12.761 -5.680 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 18.911 -2.538 -1.272 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 18.717 -3.493 -1.396 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 18.028 -2.110 -1.267 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 24.066 -13.002 -3.845 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.732 -12.253 -3.285 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.967 -12.670 -4.766 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 24.308 -15.542 -4.955 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 23.837 -16.123 -4.349 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 24.326 -14.681 -4.497 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 21.378 -12.905 -0.568 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 21.222 -12.269 0.177 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 21.889 -13.634 -0.157 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 18.637 -15.317 -1.463 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 19.514 -15.742 -1.521 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 18.129 -15.900 -0.873 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 14.195 -6.988 -14.379 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 14.748 -7.718 -14.687 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 14.556 -6.211 -14.821 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 19.277 -12.829 -7.623 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 19.666 -12.867 -6.725 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 20.046 -12.925 -8.220 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 18.228 -13.969 -15.990 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 18.278 -13.015 -15.753 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 17.848 -13.973 -16.874 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 18.249 -18.779 -9.292 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 17.466 -19.343 -9.071 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 18.308 -18.826 -10.254 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.192 -8.408 -4.530 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.146 -9.379 -4.377 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.035 -8.283 -5.003 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 21.375 -2.028 -4.836 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 20.976 -2.529 -5.580 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 22.233 -1.750 -5.171 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 24.365 -5.033 -10.597 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 24.326 -4.384 -11.337 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.272 -4.969 -10.278 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 16.713 -18.091 -12.926 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 17.108 -18.745 -13.508 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 16.936 -17.226 -13.350 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 21.114 -16.555 -1.348 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.348 -16.147 -2.206 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 21.724 -16.125 -0.709 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 24.831 -14.550 -1.671 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 25.740 -14.844 -1.793 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 24.693 -13.897 -2.386 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 16.384 -10.938 2.137 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 17.283 -10.564 2.013 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 16.320 -11.088 3.097 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 16.150 -10.953 4.881 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 16.514 -11.669 5.450 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 16.787 -10.214 4.997 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 20.609 -14.923 7.619 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.087 -14.588 6.822 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 20.736 -14.231 8.281 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 17.269 -12.977 6.478 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 17.561 -12.854 7.392 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 17.685 -13.831 6.208 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.396 -18.718 11.602 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 20.228 -17.914 11.064 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 21.108 -18.456 12.197 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 18.749 -14.506 10.165 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 19.381 -14.227 10.864 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 19.007 -15.429 9.970 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.793 -12.100 15.306 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 20.848 -12.272 15.104 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 22.088 -12.904 15.785 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 17.890 -8.811 5.165 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 17.434 -8.003 5.438 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 18.634 -8.884 5.779 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 19.050 -22.209 12.093 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 19.351 -22.709 12.887 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 19.080 -21.288 12.369 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 22.912 -20.413 16.344 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 23.251 -20.077 17.201 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 22.796 -19.607 15.807 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 26.700 -11.923 17.963 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 27.244 -11.354 18.524 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 27.349 -12.379 17.389 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 20.500 -13.906 12.154 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.155 -13.172 12.170 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 20.954 -14.641 12.622 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.718 -13.959 5.337 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.447 -14.450 4.527 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.453 -13.416 5.046 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 20.889 -10.970 1.250 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 20.024 -10.681 1.604 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 21.519 -10.358 1.640 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.271 -8.013 16.576 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 23.605 -7.607 17.402 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 22.590 -7.400 16.270 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 18.416 -15.415 6.068 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 19.105 -15.299 6.761 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 18.801 -16.084 5.463 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 19.207 -12.572 14.400 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 19.384 -12.621 13.446 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 19.047 -13.505 14.659 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.492 -10.447 17.404 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 22.273 -11.017 16.636 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 22.843 -9.620 16.997 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 18.227 -16.367 12.749 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 17.916 -16.941 13.474 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 18.796 -15.719 13.192 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 19.455 -7.558 0.827 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 19.736 -7.619 -0.111 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 19.784 -6.672 1.120 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.903 -15.104 0.162 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 23.628 -14.927 -0.490 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 23.366 -15.238 0.999 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 17.737 -10.493 -0.525 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 18.121 -11.294 -0.940 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 18.363 -9.793 -0.747 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 11.459 -14.357 -3.870 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 11.051 -14.939 -4.552 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 12.052 -14.958 -3.375 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 20.152 -16.848 9.557 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.411 -16.280 8.803 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 19.842 -17.675 9.138 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 20.264 -5.094 1.669 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.141 -4.769 1.891 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 19.708 -4.284 1.651 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 18.702 -5.490 17.211 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 19.599 -5.817 17.453 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 18.871 -4.699 16.696 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 18.780 -9.573 2.504 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 19.038 -8.780 1.976 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 18.570 -9.217 3.386 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 20.016 -9.282 17.886 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 19.415 -10.017 17.635 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 20.908 -9.683 17.839 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 22.162 -11.755 12.623 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 22.093 -11.780 13.602 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 22.900 -11.164 12.455 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 22.602 -17.681 15.666 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 23.360 -17.249 16.109 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 21.871 -17.619 16.328 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 21.422 -15.920 13.844 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 20.657 -15.713 14.417 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 21.925 -16.590 14.350 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 18.753 -11.535 16.986 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 18.624 -11.536 16.019 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.314 -12.326 17.150 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 19.841 -23.648 14.338 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 20.626 -23.330 14.837 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 19.699 -24.560 14.676 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 22.746 -14.146 16.929 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 23.094 -14.968 16.537 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 23.423 -13.893 17.587 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 28.828 -13.323 16.819 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 29.743 -13.028 16.705 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 28.674 -13.913 16.070 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 30.283 -16.689 18.526 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 30.877 -17.297 18.077 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 29.739 -17.268 19.101 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.094 -13.841 17.370 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.059 -14.026 17.310 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 19.810 -14.305 18.186 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 22.050 -22.928 15.754 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 22.320 -22.011 15.994 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 22.859 -23.334 15.425 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 15.379 -15.290 8.915 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 15.839 -16.133 9.131 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 15.729 -14.663 9.572 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 16.360 -14.312 11.518 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 17.247 -14.402 11.102 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 16.395 -14.916 12.286 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 19.526 -17.357 4.470 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 18.949 -18.032 4.092 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 20.008 -17.833 5.195 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 17.724 -15.307 2.398 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 18.336 -15.005 3.083 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 16.849 -15.241 2.810 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 18.993 -2.653 1.460 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 19.136 -2.567 0.493 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.110 -1.742 1.802 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 20.974 -15.415 3.149 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 20.530 -16.156 3.617 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.695 -15.514 2.234 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.706 -17.280 17.554 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 19.745 -17.071 17.488 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 20.922 -17.124 18.493 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 18.626 -5.235 -1.805 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 18.892 -4.907 -2.694 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 19.025 -6.123 -1.754 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 28.737 -18.300 20.209 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 28.359 -19.150 19.893 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 28.766 -18.407 21.183 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.503 -8.763 23.432 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 29.900 -8.488 22.706 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 30.919 -9.586 23.097 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 27.176 -9.756 26.107 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 27.805 -9.111 25.727 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 27.446 -10.610 25.715 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 30.807 -12.083 25.195 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 31.083 -11.672 24.350 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 31.032 -13.034 25.080 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 31.346 -14.546 24.130 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 30.814 -15.312 23.837 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 31.789 -14.239 23.315 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 28.551 -8.082 21.595 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 27.788 -8.684 21.483 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 28.451 -7.438 20.889 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 19.379 -7.617 20.971 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 18.778 -7.515 20.209 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 19.014 -8.384 21.462 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 22.959 -21.216 26.197 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 22.069 -21.480 26.443 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 23.377 -22.047 25.871 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 28.599 -11.558 21.724 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 27.842 -10.971 21.549 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 28.577 -12.204 20.987 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 28.768 -13.387 19.613 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 28.526 -14.222 20.078 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 28.666 -13.601 18.666 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 29.321 -8.449 32.856 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 28.621 -9.090 32.620 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 29.225 -8.332 33.818 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 25.848 -7.329 24.436 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 25.609 -7.486 23.511 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 26.833 -7.332 24.437 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 26.992 -6.734 34.885 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 26.725 -7.676 34.828 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 27.943 -6.773 35.115 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 25.254 -7.424 32.268 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 25.210 -6.695 32.916 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 24.763 -8.147 32.690 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 15.826 -8.329 29.794 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 15.896 -8.222 28.820 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 15.826 -9.300 29.925 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 16.824 -7.178 32.081 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 16.070 -6.587 32.323 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 16.549 -7.568 31.216 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 27.179 -6.598 30.446 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.589 -6.831 31.198 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.051 -6.423 30.866 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 23.780 -9.610 33.657 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 23.622 -10.497 33.308 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 23.042 -9.066 33.278 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 22.030 -15.263 28.788 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 21.909 -16.179 29.125 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 22.982 -15.199 28.599 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 26.801 -15.426 32.190 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.729 -15.208 32.411 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 26.663 -16.300 32.571 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 31.214 -11.277 22.597 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 30.324 -11.413 22.200 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 31.741 -12.035 22.267 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 26.269 -9.358 34.711 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 25.323 -9.399 34.456 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 26.351 -10.021 35.432 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 28.095 -11.979 24.744 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 29.018 -12.079 25.063 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 28.183 -11.946 23.775 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 30.787 -9.462 26.141 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 30.812 -10.435 26.062 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 30.841 -9.147 25.218 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 25.093 -14.925 23.887 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 24.182 -14.752 23.564 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 25.080 -15.882 24.132 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.984 -8.026 32.475 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.324 -7.159 32.182 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 21.044 -8.025 32.181 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 26.151 -13.598 26.057 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 25.800 -14.077 25.277 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 26.846 -13.019 25.687 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 24.804 -13.922 28.410 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.279 -14.071 27.557 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 24.905 -12.978 28.570 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 26.304 -9.667 21.082 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 25.708 -10.178 20.492 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 25.732 -8.949 21.428 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 31.378 -14.334 19.486 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 30.549 -13.830 19.573 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 31.094 -15.199 19.124 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 29.613 -7.373 35.487 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 29.697 -7.847 36.348 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 30.487 -7.002 35.340 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 32.549 -13.587 21.803 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 33.495 -13.724 21.687 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 32.158 -13.875 20.944 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 15.808 -11.073 30.077 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 15.619 -11.282 31.026 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 16.656 -11.539 29.894 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 27.211 -10.185 32.252 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 27.271 -11.131 32.424 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 26.808 -9.817 33.068 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 29.793 -6.348 31.254 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 29.690 -7.164 31.802 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 30.522 -5.880 31.664 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.531 -7.614 24.981 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.993 -7.309 25.788 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 29.256 -7.886 24.379 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 21.527 -5.080 22.249 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 20.581 -4.908 22.202 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 21.588 -6.047 22.381 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 21.796 -7.856 22.238 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 21.005 -7.778 21.652 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 21.438 -8.256 23.065 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 27.462 -5.939 27.831 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 27.441 -5.938 28.812 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 28.364 -6.250 27.612 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 26.697 -9.112 29.501 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 26.853 -9.646 30.300 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 26.927 -8.202 29.779 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 19.468 -7.687 31.472 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 18.515 -7.602 31.669 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 19.509 -7.697 30.494 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 23.961 -5.019 21.091 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 24.361 -4.151 21.210 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 23.070 -4.935 21.517 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 29.437 -14.580 32.591 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 30.273 -14.839 32.991 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 29.652 -14.473 31.634 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 25.075 -14.083 18.598 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 25.217 -14.164 19.571 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 25.645 -13.330 18.338 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.858 -14.310 21.234 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 26.737 -14.739 21.236 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 25.586 -14.325 22.172 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 30.258 -14.545 29.947 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.949 -14.136 29.412 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 29.599 -14.835 29.304 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 23.583 -6.937 19.098 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 23.994 -7.594 19.682 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.676 -6.094 19.588 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 20.402 -8.974 24.339 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.742 -9.318 23.699 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 19.889 -8.861 25.171 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 18.517 -6.600 34.237 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 19.323 -6.291 33.813 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 17.890 -6.722 33.495 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 21.030 -6.693 17.911 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 21.845 -6.749 18.445 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 20.653 -7.598 17.955 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 24.989 -5.246 33.886 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 25.707 -5.748 34.353 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 25.076 -4.351 34.222 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 29.839 -7.286 27.468 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 30.233 -8.117 27.104 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 30.260 -7.182 28.329 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 15.995 -9.098 34.010 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 16.617 -9.027 34.769 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 16.356 -8.479 33.347 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 24.519 -7.655 21.763 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 23.587 -7.854 22.015 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 24.513 -6.689 21.584 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 24.507 -10.792 19.261 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 23.719 -10.672 18.687 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 25.156 -11.232 18.682 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 30.142 -8.714 37.782 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 30.405 -8.880 38.690 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 29.780 -9.577 37.472 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 24.628 -14.249 31.126 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 24.743 -14.253 30.154 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 25.490 -14.580 31.470 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.094 -14.435 36.061 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 25.603 -15.276 35.899 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 25.839 -14.183 36.973 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 28.222 -13.098 34.945 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 28.625 -13.500 34.157 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 27.609 -13.786 35.278 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 21.285 -17.667 30.102 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 20.566 -17.757 30.756 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 21.628 -18.577 29.999 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.990 -17.816 32.664 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 24.287 -18.476 32.003 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 23.695 -18.363 33.425 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 17.812 -7.704 18.553 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 18.560 -8.279 18.298 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 17.981 -6.863 18.069 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 22.119 -6.013 29.285 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 22.440 -5.912 30.205 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 22.179 -5.127 28.916 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 18.802 -8.723 26.556 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 17.995 -9.110 26.928 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 19.217 -8.262 27.315 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 20.070 -7.739 28.779 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 20.502 -8.623 28.780 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 20.813 -7.107 28.899 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 24.805 -17.579 24.248 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 24.855 -18.225 24.982 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 25.080 -18.092 23.459 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 30.071 -16.741 22.955 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 30.876 -17.302 23.025 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 29.330 -17.369 23.101 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 28.289 -15.663 21.013 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 28.329 -16.541 20.586 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 28.897 -15.745 21.778 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 29.004 -10.993 36.830 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 29.148 -11.681 36.157 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 28.035 -10.916 36.883 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 24.448 -16.559 35.535 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 24.592 -17.409 35.089 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 23.645 -16.709 36.077 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 21.844 -14.179 35.638 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 22.170 -13.255 35.621 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 20.888 -14.091 35.791 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 22.681 -14.496 38.246 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 22.492 -14.516 37.287 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 21.797 -14.437 38.660 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 22.754 -11.504 35.661 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 22.985 -10.572 35.521 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 22.030 -11.476 36.332 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 17.769 -8.452 36.056 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 18.147 -7.789 35.434 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 17.628 -7.959 36.867 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 24.410 -13.186 34.256 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 25.126 -13.553 34.810 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 23.995 -12.503 34.821 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 20.647 -11.955 37.344 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 19.813 -11.468 37.340 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 20.484 -12.703 37.953 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 22.846 -5.425 31.921 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 22.358 -4.794 32.460 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 23.724 -5.477 32.352 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 26.296 -11.468 36.444 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 26.759 -12.145 35.914 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 25.812 -11.985 37.123 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 19.931 -14.387 38.635 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 19.404 -14.917 39.274 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 19.435 -14.474 37.792 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 19.510 -17.412 36.158 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 18.886 -17.637 35.425 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 19.268 -16.497 36.395 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 25.077 -13.154 38.324 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 25.216 -12.909 39.245 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 24.207 -13.618 38.328 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 17.750 -0.617 -4.879 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 18.534 -0.676 -4.294 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 17.819 0.278 -5.280 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 19.789 -0.699 -3.062 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 20.498 -1.054 -3.643 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 19.630 -1.420 -2.410 1.00 0.00 WAT1 END