REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1188.14, 62.1002, 76.2629, 48.645, 409.715, -368.468, -1418.9, 2.23379, 0.272313 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.696095E-03,0.447353,1.40674,43.0298,4.288663E-03,0.214662 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 29, 8 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:36 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -13.899 3.754 -5.244 1.00 21.24 ATOM 2 CB MET 1 -13.738 5.614 -4.189 1.00 72.44 ATOM 3 HB1 MET 1 -13.897 6.175 -5.099 1.00 38.18 ATOM 4 HB2 MET 1 -12.673 5.523 -4.019 1.00 3.24 ATOM 5 CG MET 1 -14.335 6.404 -3.033 1.00 42.11 ATOM 6 HG1 MET 1 -14.101 5.897 -2.107 1.00 38.18 ATOM 7 HG2 MET 1 -15.409 6.445 -3.155 1.00 54.45 ATOM 8 SD MET 1 -13.704 8.092 -2.938 1.00 62.51 ATOM 9 CE MET 1 -14.245 8.747 -4.518 1.00 30.03 ATOM 10 HE1 MET 1 -13.920 9.774 -4.611 1.00 23.35 ATOM 11 HE2 MET 1 -15.323 8.706 -4.576 1.00 45.13 ATOM 12 HE3 MET 1 -13.818 8.160 -5.317 1.00 23.21 ATOM 13 C MET 1 -13.990 3.329 -3.150 1.00 30.33 ATOM 14 O MET 1 -12.816 3.153 -2.819 1.00 64.31 ATOM 15 N MET 1 -15.810 4.299 -4.590 1.00 20.50 ATOM 16 HT1 MET 1 -16.284 4.697 -3.754 1.00 38.18 ATOM 17 HT2 MET 1 -16.205 3.354 -4.784 1.00 38.18 ATOM 18 HT3 MET 1 -16.008 4.913 -5.408 1.00 38.18 ATOM 19 CA MET 1 -14.337 4.208 -4.365 1.00 25.02 ATOM 20 N GLY 2 -15.009 2.784 -2.487 1.00 2.42 ATOM 21 HN GLY 2 -15.926 2.987 -2.763 1.00 38.18 ATOM 22 CA GLY 2 -14.781 1.896 -1.352 1.00 43.43 ATOM 23 HA1 GLY 2 -15.714 1.763 -0.823 1.00 38.18 ATOM 24 HA2 GLY 2 -14.067 2.356 -0.683 1.00 51.34 ATOM 25 C GLY 2 -14.259 0.527 -1.773 1.00 14.20 ATOM 26 O GLY 2 -14.853 -0.140 -2.623 1.00 53.44 ATOM 27 N HIS 3 -13.153 0.096 -1.174 1.00 42.43 ATOM 28 HN HIS 3 -12.749 0.643 -0.463 1.00 38.18 ATOM 29 CA HIS 3 -12.534 -1.181 -1.536 1.00 33.04 ATOM 30 HA HIS 3 -12.549 -1.259 -2.615 1.00 2.25 ATOM 31 CB HIS 3 -11.073 -1.221 -1.063 1.00 42.34 ATOM 32 HB1 HIS 3 -10.615 -2.137 -1.406 1.00 38.18 ATOM 33 HB2 HIS 3 -11.052 -1.200 0.018 1.00 50.35 ATOM 34 CG HIS 3 -10.246 -0.070 -1.564 1.00 50.43 ATOM 35 ND1 HIS 3 -9.437 0.687 -0.742 1.00 35.04 ATOM 36 HD1 HIS 3 -9.334 0.568 0.225 1.00 71.34 ATOM 37 CD2 HIS 3 -10.090 0.447 -2.810 1.00 50.31 ATOM 38 HD2 HIS 3 -10.576 0.105 -3.713 1.00 1.11 ATOM 39 CE1 HIS 3 -8.825 1.612 -1.453 1.00 13.33 ATOM 40 HE1 HIS 3 -8.126 2.344 -1.072 1.00 62.44 ATOM 41 NE2 HIS 3 -9.203 1.490 -2.708 1.00 51.03 ATOM 42 HE2 HIS 3 -9.003 2.139 -3.421 1.00 38.18 ATOM 43 C HIS 3 -13.320 -2.371 -0.953 1.00 20.23 ATOM 44 O HIS 3 -12.936 -2.956 0.059 1.00 54.41 ATOM 45 N HIS 4 -14.437 -2.714 -1.599 1.00 71.11 ATOM 46 HN HIS 4 -14.700 -2.202 -2.395 1.00 38.18 ATOM 47 CA HIS 4 -15.289 -3.825 -1.144 1.00 74.41 ATOM 48 HA HIS 4 -15.179 -3.914 -0.071 1.00 25.43 ATOM 49 CB HIS 4 -16.762 -3.537 -1.470 1.00 71.50 ATOM 50 HB1 HIS 4 -17.378 -4.308 -1.029 1.00 38.18 ATOM 51 HB2 HIS 4 -16.898 -3.547 -2.542 1.00 1.55 ATOM 52 CG HIS 4 -17.249 -2.216 -0.961 1.00 32.31 ATOM 53 ND1 HIS 4 -17.441 -1.945 0.375 1.00 53.54 ATOM 54 HD1 HIS 4 -17.289 -2.570 1.117 1.00 21.02 ATOM 55 CD2 HIS 4 -17.583 -1.082 -1.621 1.00 32.42 ATOM 56 HD2 HIS 4 -17.553 -0.928 -2.691 1.00 51.25 ATOM 57 CE1 HIS 4 -17.869 -0.708 0.516 1.00 31.42 ATOM 58 HE1 HIS 4 -18.103 -0.222 1.452 1.00 20.31 ATOM 59 NE2 HIS 4 -17.964 -0.163 -0.678 1.00 22.34 ATOM 60 HE2 HIS 4 -18.393 0.698 -0.869 1.00 38.18 ATOM 61 C HIS 4 -14.870 -5.155 -1.789 1.00 3.45 ATOM 62 O HIS 4 -15.478 -6.199 -1.543 1.00 22.14 ATOM 63 N HIS 5 -13.824 -5.109 -2.609 1.00 75.12 ATOM 64 HN HIS 5 -13.363 -4.260 -2.735 1.00 38.18 ATOM 65 CA HIS 5 -13.342 -6.298 -3.321 1.00 14.41 ATOM 66 HA HIS 5 -14.198 -6.759 -3.793 1.00 12.33 ATOM 67 CB HIS 5 -12.342 -5.897 -4.411 1.00 2.13 ATOM 68 HB1 HIS 5 -11.884 -6.786 -4.820 1.00 38.18 ATOM 69 HB2 HIS 5 -11.574 -5.274 -3.974 1.00 25.14 ATOM 70 CG HIS 5 -12.964 -5.136 -5.543 1.00 63.22 ATOM 71 ND1 HIS 5 -13.531 -5.748 -6.640 1.00 22.04 ATOM 72 HD1 HIS 5 -13.591 -6.718 -6.787 1.00 23.35 ATOM 73 CD2 HIS 5 -13.106 -3.804 -5.749 1.00 4.13 ATOM 74 HD2 HIS 5 -12.780 -3.015 -5.087 1.00 3.01 ATOM 75 CE1 HIS 5 -13.987 -4.833 -7.468 1.00 11.01 ATOM 76 HE1 HIS 5 -14.481 -5.023 -8.410 1.00 24.02 ATOM 77 NE2 HIS 5 -13.744 -3.644 -6.954 1.00 55.44 ATOM 78 HE2 HIS 5 -13.812 -2.800 -7.446 1.00 38.18 ATOM 79 C HIS 5 -12.717 -7.322 -2.358 1.00 70.44 ATOM 80 O HIS 5 -11.495 -7.395 -2.203 1.00 63.12 ATOM 81 N HIS 6 -13.574 -8.104 -1.709 1.00 21.24 ATOM 82 HN HIS 6 -14.530 -7.999 -1.889 1.00 38.18 ATOM 83 CA HIS 6 -13.136 -9.096 -0.723 1.00 45.12 ATOM 84 HA HIS 6 -12.320 -8.657 -0.164 1.00 3.43 ATOM 85 CB HIS 6 -14.279 -9.413 0.256 1.00 23.35 ATOM 86 HB1 HIS 6 -14.568 -8.504 0.763 1.00 38.18 ATOM 87 HB2 HIS 6 -13.928 -10.125 0.989 1.00 23.44 ATOM 88 CG HIS 6 -15.505 -9.989 -0.390 1.00 51.20 ATOM 89 ND1 HIS 6 -15.804 -11.334 -0.364 1.00 24.34 ATOM 90 HD1 HIS 6 -15.265 -12.035 0.065 1.00 12.35 ATOM 91 CD2 HIS 6 -16.510 -9.401 -1.084 1.00 20.31 ATOM 92 HD2 HIS 6 -16.608 -8.347 -1.304 1.00 30.14 ATOM 93 CE1 HIS 6 -16.929 -11.548 -1.010 1.00 34.11 ATOM 94 HE1 HIS 6 -17.406 -12.507 -1.147 1.00 61.30 ATOM 95 NE2 HIS 6 -17.377 -10.396 -1.457 1.00 31.11 ATOM 96 HE2 HIS 6 -18.270 -10.255 -1.837 1.00 38.18 ATOM 97 C HIS 6 -12.615 -10.381 -1.396 1.00 61.23 ATOM 98 O HIS 6 -13.314 -11.395 -1.478 1.00 0.10 ATOM 99 N HIS 7 -11.388 -10.319 -1.904 1.00 50.21 ATOM 100 HN HIS 7 -10.904 -9.466 -1.864 1.00 38.18 ATOM 101 CA HIS 7 -10.743 -11.485 -2.528 1.00 44.45 ATOM 102 HA HIS 7 -11.520 -12.075 -2.998 1.00 75.00 ATOM 103 CB HIS 7 -9.742 -11.039 -3.605 1.00 30.22 ATOM 104 HB1 HIS 7 -10.287 -10.694 -4.472 1.00 38.18 ATOM 105 HB2 HIS 7 -9.127 -11.882 -3.890 1.00 30.12 ATOM 106 CG HIS 7 -8.829 -9.931 -3.161 1.00 42.11 ATOM 107 ND1 HIS 7 -9.107 -8.599 -3.383 1.00 20.10 ATOM 108 HD1 HIS 7 -9.900 -8.249 -3.849 1.00 52.01 ATOM 109 CD2 HIS 7 -7.643 -9.956 -2.501 1.00 15.35 ATOM 110 HD2 HIS 7 -7.114 -10.837 -2.161 1.00 70.23 ATOM 111 CE1 HIS 7 -8.141 -7.856 -2.883 1.00 71.52 ATOM 112 HE1 HIS 7 -8.093 -6.778 -2.910 1.00 1.43 ATOM 113 NE2 HIS 7 -7.242 -8.653 -2.343 1.00 61.42 ATOM 114 HE2 HIS 7 -6.472 -8.353 -1.809 1.00 38.18 ATOM 115 C HIS 7 -10.034 -12.363 -1.487 1.00 1.01 ATOM 116 O HIS 7 -9.595 -11.878 -0.446 1.00 23.44 ATOM 117 N HIS 8 -9.924 -13.656 -1.779 1.00 2.24 ATOM 118 HN HIS 8 -10.292 -13.987 -2.628 1.00 38.18 ATOM 119 CA HIS 8 -9.255 -14.601 -0.879 1.00 72.21 ATOM 120 HA HIS 8 -9.243 -14.161 0.111 1.00 63.52 ATOM 121 CB HIS 8 -10.045 -15.914 -0.825 1.00 72.24 ATOM 122 HB1 HIS 8 -9.513 -16.623 -0.206 1.00 38.18 ATOM 123 HB2 HIS 8 -10.140 -16.316 -1.824 1.00 4.14 ATOM 124 CG HIS 8 -11.424 -15.748 -0.258 1.00 53.24 ATOM 125 ND1 HIS 8 -11.790 -16.221 0.983 1.00 12.52 ATOM 126 HD1 HIS 8 -11.212 -16.715 1.603 1.00 15.15 ATOM 127 CD2 HIS 8 -12.527 -15.145 -0.763 1.00 73.45 ATOM 128 HD2 HIS 8 -12.610 -14.659 -1.724 1.00 72.42 ATOM 129 CE1 HIS 8 -13.051 -15.919 1.216 1.00 22.21 ATOM 130 HE1 HIS 8 -13.604 -16.162 2.112 1.00 43.23 ATOM 131 NE2 HIS 8 -13.521 -15.266 0.175 1.00 23.04 ATOM 132 HE2 HIS 8 -14.465 -15.048 0.030 1.00 38.18 ATOM 133 C HIS 8 -7.801 -14.843 -1.327 1.00 11.13 ATOM 134 O HIS 8 -7.550 -15.475 -2.356 1.00 74.13 ATOM 135 N SER 9 -6.853 -14.333 -0.541 1.00 30.24 ATOM 136 HN SER 9 -7.116 -13.951 0.328 1.00 38.18 ATOM 137 CA SER 9 -5.428 -14.311 -0.924 1.00 24.31 ATOM 138 HA SER 9 -5.362 -13.822 -1.885 1.00 74.41 ATOM 139 CB SER 9 -4.620 -13.489 0.092 1.00 55.43 ATOM 140 HB1 SER 9 -4.642 -13.983 1.054 1.00 38.18 ATOM 141 HB2 SER 9 -5.056 -12.505 0.186 1.00 51.51 ATOM 142 OG SER 9 -3.266 -13.349 -0.318 1.00 75.52 ATOM 143 HG SER 9 -2.714 -13.170 0.454 1.00 52.33 ATOM 144 C SER 9 -4.806 -15.713 -1.051 1.00 24.23 ATOM 145 O SER 9 -3.907 -15.923 -1.870 1.00 24.21 ATOM 146 N HIS 10 -5.279 -16.664 -0.242 1.00 43.24 ATOM 147 HN HIS 10 -6.047 -16.460 0.331 1.00 38.18 ATOM 148 CA HIS 10 -4.699 -18.017 -0.199 1.00 24.21 ATOM 149 HA HIS 10 -5.187 -18.553 0.606 1.00 61.32 ATOM 150 CB HIS 10 -4.975 -18.757 -1.525 1.00 1.10 ATOM 151 HB1 HIS 10 -4.502 -18.214 -2.332 1.00 38.18 ATOM 152 HB2 HIS 10 -6.042 -18.780 -1.698 1.00 41.15 ATOM 153 CG HIS 10 -4.476 -20.174 -1.569 1.00 41.31 ATOM 154 ND1 HIS 10 -3.176 -20.505 -1.891 1.00 74.33 ATOM 155 HD1 HIS 10 -2.456 -19.867 -2.095 1.00 41.20 ATOM 156 CD2 HIS 10 -5.113 -21.353 -1.351 1.00 21.50 ATOM 157 HD2 HIS 10 -6.152 -21.482 -1.075 1.00 3.32 ATOM 158 CE1 HIS 10 -3.035 -21.815 -1.872 1.00 21.11 ATOM 159 HE1 HIS 10 -2.124 -22.356 -2.086 1.00 51.52 ATOM 160 NE2 HIS 10 -4.190 -22.351 -1.548 1.00 51.03 ATOM 161 HE2 HIS 10 -4.355 -23.314 -1.440 1.00 38.18 ATOM 162 C HIS 10 -3.182 -17.962 0.100 1.00 11.45 ATOM 163 O HIS 10 -2.352 -18.153 -0.793 1.00 63.35 ATOM 164 N PRO 11 -2.803 -17.674 1.363 1.00 62.21 ATOM 165 CA PRO 11 -1.387 -17.540 1.762 1.00 0.42 ATOM 166 HA PRO 11 -0.843 -16.902 1.079 1.00 72.11 ATOM 167 CB PRO 11 -1.485 -16.857 3.131 1.00 0.33 ATOM 168 HB1 PRO 11 -1.492 -15.783 3.004 1.00 38.18 ATOM 169 HB2 PRO 11 -0.646 -17.147 3.750 1.00 55.00 ATOM 170 CG PRO 11 -2.779 -17.349 3.684 1.00 0.34 ATOM 171 HG1 PRO 11 -3.161 -16.648 4.412 1.00 38.18 ATOM 172 HG2 PRO 11 -2.641 -18.323 4.138 1.00 32.12 ATOM 173 CD PRO 11 -3.715 -17.445 2.505 1.00 54.34 ATOM 174 HD1 PRO 11 -4.263 -16.523 2.378 1.00 38.18 ATOM 175 HD2 PRO 11 -4.396 -18.275 2.628 1.00 20.32 ATOM 176 C PRO 11 -0.658 -18.887 1.887 1.00 74.23 ATOM 177 O PRO 11 -1.259 -19.913 2.224 1.00 11.01 ATOM 178 N ASN 12 0.646 -18.867 1.625 1.00 45.22 ATOM 179 HN ASN 12 1.061 -18.019 1.350 1.00 38.18 ATOM 180 CA ASN 12 1.487 -20.063 1.727 1.00 13.22 ATOM 181 HA ASN 12 1.016 -20.852 1.157 1.00 22.15 ATOM 182 CB ASN 12 2.869 -19.774 1.129 1.00 4.00 ATOM 183 HB1 ASN 12 3.494 -20.649 1.242 1.00 38.18 ATOM 184 HB2 ASN 12 3.319 -18.948 1.661 1.00 3.33 ATOM 185 CG ASN 12 2.809 -19.416 -0.343 1.00 23.31 ATOM 186 OD1 ASN 12 1.816 -18.882 -0.832 1.00 53.20 ATOM 187 ND2 ASN 12 3.871 -19.700 -1.062 1.00 41.02 ATOM 188 HD21 ASN 12 4.635 -20.124 -0.617 1.00 23.32 ATOM 189 HD22 ASN 12 3.853 -19.478 -2.015 1.00 63.23 ATOM 190 C ASN 12 1.647 -20.527 3.183 1.00 74.21 ATOM 191 O ASN 12 1.351 -19.779 4.120 1.00 51.13 ATOM 192 N GLU 13 2.131 -21.758 3.364 1.00 63.41 ATOM 193 HN GLU 13 2.321 -22.312 2.575 1.00 38.18 ATOM 194 CA GLU 13 2.393 -22.310 4.700 1.00 70.53 ATOM 195 HA GLU 13 1.444 -22.434 5.201 1.00 42.22 ATOM 196 CB GLU 13 3.077 -23.682 4.574 1.00 52.40 ATOM 197 HB1 GLU 13 4.019 -23.554 4.060 1.00 38.18 ATOM 198 HB2 GLU 13 2.445 -24.330 3.983 1.00 64.41 ATOM 199 CG GLU 13 3.350 -24.373 5.907 1.00 51.13 ATOM 200 HG1 GLU 13 2.406 -24.566 6.398 1.00 38.18 ATOM 201 HG2 GLU 13 3.945 -23.715 6.525 1.00 24.24 ATOM 202 CD GLU 13 4.091 -25.693 5.739 1.00 64.52 ATOM 203 OE1 GLU 13 5.281 -25.776 6.117 1.00 51.40 ATOM 204 OE2 GLU 13 3.493 -26.650 5.213 1.00 63.42 ATOM 205 C GLU 13 3.273 -21.355 5.522 1.00 31.11 ATOM 206 O GLU 13 2.934 -20.991 6.650 1.00 14.05 ATOM 207 N GLU 14 4.389 -20.942 4.927 1.00 74.10 ATOM 208 HN GLU 14 4.611 -21.306 4.041 1.00 38.18 ATOM 209 CA GLU 14 5.307 -19.975 5.539 1.00 35.35 ATOM 210 HA GLU 14 5.741 -20.433 6.416 1.00 35.43 ATOM 211 CB GLU 14 6.424 -19.650 4.537 1.00 11.05 ATOM 212 HB1 GLU 14 5.970 -19.315 3.614 1.00 38.18 ATOM 213 HB2 GLU 14 6.981 -20.556 4.337 1.00 0.52 ATOM 214 CG GLU 14 7.412 -18.579 4.996 1.00 33.04 ATOM 215 HG1 GLU 14 6.856 -17.695 5.279 1.00 38.18 ATOM 216 HG2 GLU 14 8.065 -18.336 4.170 1.00 50.14 ATOM 217 CD GLU 14 8.273 -19.014 6.172 1.00 40.23 ATOM 218 OE1 GLU 14 8.230 -18.352 7.232 1.00 11.14 ATOM 219 OE2 GLU 14 9.012 -20.011 6.035 1.00 13.13 ATOM 220 C GLU 14 4.579 -18.680 5.954 1.00 50.45 ATOM 221 O GLU 14 4.702 -18.219 7.092 1.00 55.51 ATOM 222 N ALA 15 3.811 -18.113 5.023 1.00 43.10 ATOM 223 HN ALA 15 3.707 -18.564 4.161 1.00 38.18 ATOM 224 CA ALA 15 3.125 -16.831 5.241 1.00 33.35 ATOM 225 HA ALA 15 3.878 -16.093 5.477 1.00 14.14 ATOM 226 CB ALA 15 2.428 -16.392 3.959 1.00 55.31 ATOM 227 HB1 ALA 15 1.990 -15.414 4.101 1.00 65.25 ATOM 228 HB2 ALA 15 1.651 -17.101 3.708 1.00 73.35 ATOM 229 HB3 ALA 15 3.148 -16.349 3.155 1.00 4.32 ATOM 230 C ALA 15 2.114 -16.887 6.398 1.00 32.52 ATOM 231 O ALA 15 2.123 -16.032 7.283 1.00 14.34 ATOM 232 N ARG 16 1.235 -17.885 6.387 1.00 62.30 ATOM 233 HN ARG 16 1.264 -18.545 5.660 1.00 38.18 ATOM 234 CA ARG 16 0.222 -18.013 7.439 1.00 13.50 ATOM 235 HA ARG 16 -0.199 -17.026 7.586 1.00 60.20 ATOM 236 CB ARG 16 -0.912 -18.951 6.999 1.00 22.42 ATOM 237 HB1 ARG 16 -1.381 -18.529 6.121 1.00 38.18 ATOM 238 HB2 ARG 16 -1.645 -18.999 7.792 1.00 13.21 ATOM 239 CG ARG 16 -0.481 -20.376 6.671 1.00 44.34 ATOM 240 HG1 ARG 16 -0.230 -20.889 7.588 1.00 38.18 ATOM 241 HG2 ARG 16 0.387 -20.344 6.025 1.00 35.23 ATOM 242 CD ARG 16 -1.599 -21.139 5.962 1.00 24.43 ATOM 243 HD1 ARG 16 -1.765 -20.690 4.993 1.00 38.18 ATOM 244 HD2 ARG 16 -2.500 -21.057 6.552 1.00 34.31 ATOM 245 NE ARG 16 -1.285 -22.552 5.786 1.00 13.41 ATOM 246 HE ARG 16 -1.240 -23.106 6.590 1.00 42.23 ATOM 247 CZ ARG 16 -1.104 -23.135 4.632 1.00 4.21 ATOM 248 NH1 ARG 16 -1.132 -22.457 3.527 1.00 73.45 ATOM 249 HH11 ARG 16 -1.294 -21.475 3.544 1.00 0.25 ATOM 250 HH12 ARG 16 -0.976 -22.923 2.657 1.00 1.11 ATOM 251 NH2 ARG 16 -0.892 -24.410 4.592 1.00 54.42 ATOM 252 HH21 ARG 16 -0.869 -24.936 5.441 1.00 31.34 ATOM 253 HH22 ARG 16 -0.762 -24.868 3.714 1.00 34.33 ATOM 254 C ARG 16 0.845 -18.454 8.776 1.00 15.11 ATOM 255 O ARG 16 0.373 -18.068 9.848 1.00 23.24 ATOM 256 N LEU 17 1.911 -19.256 8.712 1.00 32.33 ATOM 257 HN LEU 17 2.204 -19.596 7.840 1.00 38.18 ATOM 258 CA LEU 17 2.650 -19.648 9.919 1.00 11.22 ATOM 259 HA LEU 17 1.940 -20.084 10.609 1.00 31.34 ATOM 260 CB LEU 17 3.718 -20.698 9.579 1.00 62.02 ATOM 261 HB1 LEU 17 4.408 -20.260 8.871 1.00 38.18 ATOM 262 HB2 LEU 17 3.228 -21.536 9.102 1.00 62.34 ATOM 263 CG LEU 17 4.530 -21.228 10.773 1.00 62.12 ATOM 264 HG LEU 17 5.097 -20.412 11.201 1.00 20.35 ATOM 265 CD1 LEU 17 3.609 -21.774 11.859 1.00 51.25 ATOM 266 HD11 LEU 17 4.203 -22.196 12.658 1.00 50.20 ATOM 267 HD12 LEU 17 2.972 -22.540 11.443 1.00 5.25 ATOM 268 HD13 LEU 17 2.999 -20.972 12.251 1.00 3.12 ATOM 269 CD2 LEU 17 5.519 -22.298 10.316 1.00 72.31 ATOM 270 HD21 LEU 17 4.980 -23.132 9.887 1.00 20.24 ATOM 271 HD22 LEU 17 6.096 -22.641 11.162 1.00 74.22 ATOM 272 HD23 LEU 17 6.185 -21.880 9.575 1.00 21.22 ATOM 273 C LEU 17 3.300 -18.425 10.591 1.00 41.32 ATOM 274 O LEU 17 3.426 -18.371 11.817 1.00 33.21 ATOM 275 N ASP 18 3.708 -17.450 9.777 1.00 2.21 ATOM 276 HN ASP 18 3.664 -17.593 8.806 1.00 38.18 ATOM 277 CA ASP 18 4.236 -16.175 10.282 1.00 71.22 ATOM 278 HA ASP 18 5.169 -16.376 10.790 1.00 74.11 ATOM 279 CB ASP 18 4.496 -15.229 9.099 1.00 60.35 ATOM 280 HB1 ASP 18 3.553 -15.006 8.617 1.00 38.18 ATOM 281 HB2 ASP 18 5.141 -15.727 8.390 1.00 20.25 ATOM 282 CG ASP 18 5.152 -13.918 9.504 1.00 50.42 ATOM 283 OD1 ASP 18 6.389 -13.804 9.375 1.00 63.32 ATOM 284 OD2 ASP 18 4.437 -12.992 9.940 1.00 51.12 ATOM 285 C ASP 18 3.248 -15.533 11.273 1.00 74.05 ATOM 286 O ASP 18 3.626 -15.093 12.362 1.00 13.32 ATOM 287 N ILE 19 1.975 -15.509 10.881 1.00 31.23 ATOM 288 HN ILE 19 1.751 -15.872 9.998 1.00 38.18 ATOM 289 CA ILE 19 0.899 -14.963 11.715 1.00 42.34 ATOM 290 HA ILE 19 1.129 -13.928 11.932 1.00 54.13 ATOM 291 CB ILE 19 -0.458 -15.024 10.967 1.00 60.51 ATOM 292 HB ILE 19 -0.754 -16.063 10.899 1.00 51.34 ATOM 293 CG1 ILE 19 -0.321 -14.451 9.546 1.00 35.04 ATOM 294 HG11 ILE 19 0.527 -14.912 9.059 1.00 38.18 ATOM 295 HG12 ILE 19 -0.159 -13.386 9.605 1.00 10.03 ATOM 296 CG2 ILE 19 -1.540 -14.277 11.749 1.00 62.01 ATOM 297 HG21 ILE 19 -1.681 -14.749 12.710 1.00 2.41 ATOM 298 HG22 ILE 19 -2.470 -14.304 11.198 1.00 44.24 ATOM 299 HG23 ILE 19 -1.238 -13.249 11.893 1.00 63.52 ATOM 300 CD1 ILE 19 -1.539 -14.685 8.675 1.00 34.11 ATOM 301 HD11 ILE 19 -1.368 -14.258 7.698 1.00 1.23 ATOM 302 HD12 ILE 19 -2.403 -14.220 9.126 1.00 72.54 ATOM 303 HD13 ILE 19 -1.712 -15.749 8.577 1.00 30.23 ATOM 304 C ILE 19 0.772 -15.746 13.034 1.00 61.12 ATOM 305 O ILE 19 0.668 -15.163 14.120 1.00 4.44 ATOM 306 N LEU 20 0.775 -17.075 12.923 1.00 43.34 ATOM 307 HN LEU 20 0.836 -17.473 12.027 1.00 38.18 ATOM 308 CA LEU 20 0.691 -17.962 14.089 1.00 3.41 ATOM 309 HA LEU 20 -0.255 -17.773 14.579 1.00 72.13 ATOM 310 CB LEU 20 0.732 -19.429 13.632 1.00 15.33 ATOM 311 HB1 LEU 20 0.784 -20.059 14.508 1.00 38.18 ATOM 312 HB2 LEU 20 1.633 -19.575 13.052 1.00 44.53 ATOM 313 CG LEU 20 -0.471 -19.881 12.785 1.00 53.11 ATOM 314 HG LEU 20 -0.649 -19.150 12.010 1.00 12.22 ATOM 315 CD1 LEU 20 -0.189 -21.216 12.102 1.00 12.54 ATOM 316 HD11 LEU 20 0.665 -21.109 11.448 1.00 12.45 ATOM 317 HD12 LEU 20 -1.049 -21.510 11.519 1.00 52.32 ATOM 318 HD13 LEU 20 0.019 -21.972 12.846 1.00 73.20 ATOM 319 CD2 LEU 20 -1.732 -19.969 13.646 1.00 45.50 ATOM 320 HD21 LEU 20 -1.585 -20.696 14.432 1.00 73.24 ATOM 321 HD22 LEU 20 -2.569 -20.269 13.032 1.00 13.34 ATOM 322 HD23 LEU 20 -1.938 -19.002 14.085 1.00 45.22 ATOM 323 C LEU 20 1.826 -17.684 15.087 1.00 5.03 ATOM 324 O LEU 20 1.599 -17.616 16.294 1.00 33.34 ATOM 325 N LYS 21 3.046 -17.510 14.575 1.00 23.21 ATOM 326 HN LYS 21 3.172 -17.610 13.605 1.00 38.18 ATOM 327 CA LYS 21 4.204 -17.177 15.418 1.00 24.12 ATOM 328 HA LYS 21 4.363 -18.002 16.100 1.00 42.42 ATOM 329 CB LYS 21 5.462 -16.997 14.558 1.00 4.01 ATOM 330 HB1 LYS 21 6.261 -16.624 15.185 1.00 38.18 ATOM 331 HB2 LYS 21 5.253 -16.267 13.789 1.00 61.51 ATOM 332 CG LYS 21 5.946 -18.278 13.882 1.00 2.00 ATOM 333 HG1 LYS 21 5.142 -18.686 13.284 1.00 38.18 ATOM 334 HG2 LYS 21 6.226 -18.991 14.645 1.00 52.12 ATOM 335 CD LYS 21 7.153 -18.014 12.983 1.00 73.25 ATOM 336 HD1 LYS 21 7.924 -17.533 13.567 1.00 38.18 ATOM 337 HD2 LYS 21 6.852 -17.359 12.177 1.00 73.04 ATOM 338 CE LYS 21 7.717 -19.299 12.386 1.00 44.12 ATOM 339 HE1 LYS 21 8.480 -19.040 11.666 1.00 38.18 ATOM 340 HE2 LYS 21 6.921 -19.832 11.887 1.00 54.53 ATOM 341 NZ LYS 21 8.311 -20.185 13.422 1.00 13.24 ATOM 342 HZ1 LYS 21 7.611 -20.396 14.161 1.00 13.41 ATOM 343 HZ2 LYS 21 9.131 -19.723 13.860 1.00 5.45 ATOM 344 HZ3 LYS 21 8.624 -21.079 12.993 1.00 15.40 ATOM 345 C LYS 21 3.957 -15.902 16.239 1.00 74.43 ATOM 346 O LYS 21 4.138 -15.889 17.454 1.00 51.44 ATOM 347 N ILE 22 3.523 -14.840 15.567 1.00 53.14 ATOM 348 HN ILE 22 3.347 -14.926 14.603 1.00 38.18 ATOM 349 CA ILE 22 3.302 -13.542 16.218 1.00 33.45 ATOM 350 HA ILE 22 4.250 -13.216 16.625 1.00 32.12 ATOM 351 CB ILE 22 2.831 -12.481 15.191 1.00 22.33 ATOM 352 HB ILE 22 1.907 -12.827 14.749 1.00 2.52 ATOM 353 CG1 ILE 22 3.884 -12.319 14.081 1.00 32.52 ATOM 354 HG11 ILE 22 4.074 -13.283 13.632 1.00 38.18 ATOM 355 HG12 ILE 22 4.801 -11.945 14.512 1.00 41.53 ATOM 356 CG2 ILE 22 2.557 -11.139 15.877 1.00 33.12 ATOM 357 HG21 ILE 22 3.464 -10.778 16.341 1.00 3.45 ATOM 358 HG22 ILE 22 1.794 -11.266 16.633 1.00 4.44 ATOM 359 HG23 ILE 22 2.220 -10.420 15.145 1.00 13.44 ATOM 360 CD1 ILE 22 3.474 -11.368 12.977 1.00 20.11 ATOM 361 HD11 ILE 22 4.264 -11.313 12.242 1.00 72.22 ATOM 362 HD12 ILE 22 3.300 -10.386 13.391 1.00 12.23 ATOM 363 HD13 ILE 22 2.571 -11.727 12.506 1.00 34.11 ATOM 364 C ILE 22 2.278 -13.631 17.366 1.00 24.35 ATOM 365 O ILE 22 2.541 -13.178 18.482 1.00 11.41 ATOM 366 N HIS 23 1.116 -14.223 17.092 1.00 52.22 ATOM 367 HN HIS 23 0.978 -14.615 16.200 1.00 38.18 ATOM 368 CA HIS 23 0.042 -14.309 18.093 1.00 50.41 ATOM 369 HA HIS 23 -0.026 -13.343 18.573 1.00 5.10 ATOM 370 CB HIS 23 -1.299 -14.606 17.413 1.00 54.13 ATOM 371 HB1 HIS 23 -2.055 -14.772 18.169 1.00 38.18 ATOM 372 HB2 HIS 23 -1.200 -15.496 16.808 1.00 3.33 ATOM 373 CG HIS 23 -1.770 -13.494 16.520 1.00 41.52 ATOM 374 ND1 HIS 23 -2.535 -12.438 16.968 1.00 50.30 ATOM 375 HD1 HIS 23 -2.843 -12.301 17.892 1.00 45.34 ATOM 376 CD2 HIS 23 -1.577 -13.271 15.198 1.00 54.25 ATOM 377 HD2 HIS 23 -1.021 -13.900 14.516 1.00 20.00 ATOM 378 CE1 HIS 23 -2.788 -11.621 15.967 1.00 33.41 ATOM 379 HE1 HIS 23 -3.367 -10.712 16.027 1.00 73.24 ATOM 380 NE2 HIS 23 -2.217 -12.099 14.881 1.00 33.33 ATOM 381 HE2 HIS 23 -2.055 -11.575 14.065 1.00 38.18 ATOM 382 C HIS 23 0.339 -15.362 19.176 1.00 72.42 ATOM 383 O HIS 23 -0.063 -15.201 20.331 1.00 1.31 ATOM 384 N SER 24 1.045 -16.431 18.811 1.00 44.44 ATOM 385 HN SER 24 1.326 -16.524 17.875 1.00 38.18 ATOM 386 CA SER 24 1.410 -17.477 19.780 1.00 51.14 ATOM 387 HA SER 24 0.518 -17.735 20.333 1.00 1.12 ATOM 388 CB SER 24 1.930 -18.733 19.068 1.00 52.11 ATOM 389 HB1 SER 24 1.206 -19.046 18.329 1.00 38.18 ATOM 390 HB2 SER 24 2.067 -19.522 19.789 1.00 33.44 ATOM 391 OG SER 24 3.166 -18.486 18.418 1.00 74.25 ATOM 392 HG SER 24 3.013 -18.398 17.470 1.00 64.43 ATOM 393 C SER 24 2.465 -16.967 20.770 1.00 44.04 ATOM 394 O SER 24 2.462 -17.340 21.942 1.00 74.22 ATOM 395 N ARG 25 3.354 -16.090 20.296 1.00 25.02 ATOM 396 HN ARG 25 3.352 -15.886 19.335 1.00 38.18 ATOM 397 CA ARG 25 4.351 -15.437 21.160 1.00 41.44 ATOM 398 HA ARG 25 4.839 -16.210 21.738 1.00 12.12 ATOM 399 CB ARG 25 5.408 -14.718 20.305 1.00 25.35 ATOM 400 HB1 ARG 25 6.012 -14.091 20.947 1.00 38.18 ATOM 401 HB2 ARG 25 4.903 -14.093 19.581 1.00 50.03 ATOM 402 CG ARG 25 6.338 -15.664 19.549 1.00 73.44 ATOM 403 HG1 ARG 25 5.739 -16.327 18.940 1.00 38.18 ATOM 404 HG2 ARG 25 6.904 -16.245 20.264 1.00 64.44 ATOM 405 CD ARG 25 7.310 -14.906 18.648 1.00 74.51 ATOM 406 HD1 ARG 25 7.860 -14.193 19.249 1.00 38.18 ATOM 407 HD2 ARG 25 6.742 -14.374 17.898 1.00 63.43 ATOM 408 NE ARG 25 8.264 -15.798 17.984 1.00 1.21 ATOM 409 HE ARG 25 8.717 -16.465 18.537 1.00 35.30 ATOM 410 CZ ARG 25 8.554 -15.748 16.711 1.00 33.03 ATOM 411 NH1 ARG 25 7.987 -14.875 15.940 1.00 63.54 ATOM 412 HH11 ARG 25 7.324 -14.230 16.320 1.00 31.15 ATOM 413 HH12 ARG 25 8.201 -14.851 14.966 1.00 42.23 ATOM 414 NH2 ARG 25 9.423 -16.566 16.218 1.00 30.53 ATOM 415 HH21 ARG 25 9.870 -17.233 16.811 1.00 44.23 ATOM 416 HH22 ARG 25 9.652 -16.527 15.247 1.00 21.02 ATOM 417 C ARG 25 3.695 -14.440 22.137 1.00 42.33 ATOM 418 O ARG 25 4.383 -13.721 22.863 1.00 1.51 ATOM 419 N LYS 26 2.363 -14.376 22.130 1.00 64.33 ATOM 420 HN LYS 26 1.868 -14.876 21.449 1.00 38.18 ATOM 421 CA LYS 26 1.615 -13.563 23.096 1.00 40.54 ATOM 422 HA LYS 26 2.322 -12.939 23.623 1.00 44.14 ATOM 423 CB LYS 26 0.604 -12.661 22.363 1.00 20.20 ATOM 424 HB1 LYS 26 0.019 -12.127 23.100 1.00 38.18 ATOM 425 HB2 LYS 26 -0.059 -13.286 21.783 1.00 63.23 ATOM 426 CG LYS 26 1.235 -11.631 21.416 1.00 33.24 ATOM 427 HG1 LYS 26 0.517 -11.391 20.643 1.00 38.18 ATOM 428 HG2 LYS 26 2.111 -12.068 20.961 1.00 31.25 ATOM 429 CD LYS 26 1.646 -10.331 22.123 1.00 34.32 ATOM 430 HD1 LYS 26 0.779 -9.926 22.628 1.00 38.18 ATOM 431 HD2 LYS 26 1.981 -9.627 21.377 1.00 74.30 ATOM 432 CE LYS 26 2.765 -10.521 23.144 1.00 43.11 ATOM 433 HE1 LYS 26 2.424 -11.191 23.918 1.00 38.18 ATOM 434 HE2 LYS 26 2.996 -9.562 23.584 1.00 71.52 ATOM 435 NZ LYS 26 4.005 -11.074 22.533 1.00 64.43 ATOM 436 HZ1 LYS 26 4.386 -10.408 21.833 1.00 40.13 ATOM 437 HZ2 LYS 26 3.805 -11.975 22.058 1.00 55.40 ATOM 438 HZ3 LYS 26 4.724 -11.234 23.268 1.00 35.21 ATOM 439 C LYS 26 0.890 -14.445 24.125 1.00 4.05 ATOM 440 O LYS 26 0.217 -13.941 25.023 1.00 42.04 ATOM 441 N MET 27 1.041 -15.763 23.992 1.00 34.51 ATOM 442 HN MET 27 1.616 -16.106 23.275 1.00 38.18 ATOM 443 CA MET 27 0.391 -16.722 24.896 1.00 53.22 ATOM 444 HA MET 27 0.022 -16.177 25.756 1.00 43.11 ATOM 445 CB MET 27 -0.792 -17.406 24.192 1.00 22.54 ATOM 446 HB1 MET 27 -1.271 -18.080 24.889 1.00 38.18 ATOM 447 HB2 MET 27 -0.416 -17.978 23.355 1.00 21.30 ATOM 448 CG MET 27 -1.846 -16.435 23.670 1.00 53.41 ATOM 449 HG1 MET 27 -1.382 -15.768 22.956 1.00 38.18 ATOM 450 HG2 MET 27 -2.228 -15.858 24.499 1.00 53.11 ATOM 451 SD MET 27 -3.231 -17.267 22.865 1.00 2.24 ATOM 452 CE MET 27 -2.386 -18.222 21.605 1.00 31.21 ATOM 453 HE1 MET 27 -1.719 -18.929 22.077 1.00 44.34 ATOM 454 HE2 MET 27 -1.817 -17.559 20.970 1.00 74.53 ATOM 455 HE3 MET 27 -3.113 -18.754 21.009 1.00 21.32 ATOM 456 C MET 27 1.392 -17.785 25.376 1.00 42.43 ATOM 457 O MET 27 2.297 -18.177 24.640 1.00 61.12 ATOM 458 N ASN 28 1.232 -18.244 26.615 1.00 53.12 ATOM 459 HN ASN 28 0.522 -17.868 27.174 1.00 38.18 ATOM 460 CA ASN 28 2.095 -19.297 27.165 1.00 30.42 ATOM 461 HA ASN 28 3.119 -19.057 26.909 1.00 34.14 ATOM 462 CB ASN 28 1.960 -19.345 28.692 1.00 1.12 ATOM 463 HB1 ASN 28 2.618 -20.108 29.083 1.00 38.18 ATOM 464 HB2 ASN 28 0.939 -19.592 28.948 1.00 70.22 ATOM 465 CG ASN 28 2.313 -18.023 29.350 1.00 73.54 ATOM 466 OD1 ASN 28 3.129 -17.257 28.845 1.00 54.41 ATOM 467 ND2 ASN 28 1.700 -17.744 30.483 1.00 23.31 ATOM 468 HD21 ASN 28 1.061 -18.392 30.837 1.00 23.02 ATOM 469 HD22 ASN 28 1.914 -16.895 30.924 1.00 53.10 ATOM 470 C ASN 28 1.739 -20.667 26.562 1.00 62.40 ATOM 471 O ASN 28 0.678 -21.217 26.845 1.00 54.11 ATOM 472 N LEU 29 2.627 -21.210 25.735 1.00 61.01 ATOM 473 HN LEU 29 3.486 -20.754 25.595 1.00 38.18 ATOM 474 CA LEU 29 2.365 -22.473 25.027 1.00 63.42 ATOM 475 HA LEU 29 1.295 -22.589 24.924 1.00 21.10 ATOM 476 CB LEU 29 3.000 -22.421 23.629 1.00 62.21 ATOM 477 HB1 LEU 29 2.699 -23.307 23.087 1.00 38.18 ATOM 478 HB2 LEU 29 4.076 -22.444 23.746 1.00 23.01 ATOM 479 CG LEU 29 2.638 -21.194 22.780 1.00 51.13 ATOM 480 HG LEU 29 2.922 -20.299 23.319 1.00 2.34 ATOM 481 CD1 LEU 29 3.414 -21.212 21.466 1.00 33.54 ATOM 482 HD11 LEU 29 4.471 -21.295 21.675 1.00 43.34 ATOM 483 HD12 LEU 29 3.230 -20.296 20.927 1.00 32.32 ATOM 484 HD13 LEU 29 3.097 -22.054 20.867 1.00 32.21 ATOM 485 CD2 LEU 29 1.131 -21.134 22.527 1.00 41.42 ATOM 486 HD21 LEU 29 0.607 -21.099 23.472 1.00 31.33 ATOM 487 HD22 LEU 29 0.818 -22.009 21.975 1.00 64.30 ATOM 488 HD23 LEU 29 0.896 -20.247 21.957 1.00 42.34 ATOM 489 C LEU 29 2.926 -23.683 25.789 1.00 41.34 ATOM 490 O LEU 29 3.522 -23.543 26.858 1.00 41.20 ATOM 491 N THR 30 2.706 -24.878 25.239 1.00 50.21 ATOM 492 HN THR 30 2.075 -24.948 24.493 1.00 38.18 ATOM 493 CA THR 30 3.372 -26.092 25.734 1.00 21.42 ATOM 494 HA THR 30 3.477 -25.997 26.808 1.00 43.24 ATOM 495 CB THR 30 2.556 -27.378 25.438 1.00 32.10 ATOM 496 HB THR 30 1.634 -27.336 26.001 1.00 11.11 ATOM 497 OG1 THR 30 3.298 -28.539 25.851 1.00 13.54 ATOM 498 HG1 THR 30 2.736 -29.324 25.784 1.00 21.44 ATOM 499 CG2 THR 30 2.210 -27.496 23.959 1.00 21.44 ATOM 500 HG21 THR 30 1.605 -26.651 23.659 1.00 33.53 ATOM 501 HG22 THR 30 1.659 -28.410 23.789 1.00 11.02 ATOM 502 HG23 THR 30 3.120 -27.512 23.375 1.00 22.21 ATOM 503 C THR 30 4.771 -26.228 25.112 1.00 32.43 ATOM 504 O THR 30 4.983 -25.864 23.955 1.00 62.55 ATOM 505 N ARG 31 5.719 -26.768 25.872 1.00 0.42 ATOM 506 HN ARG 31 5.469 -27.163 26.733 1.00 38.18 ATOM 507 CA ARG 31 7.129 -26.790 25.452 1.00 32.05 ATOM 508 HA ARG 31 7.372 -25.793 25.109 1.00 2.03 ATOM 509 CB ARG 31 8.029 -27.113 26.651 1.00 35.04 ATOM 510 HB1 ARG 31 9.050 -27.203 26.308 1.00 38.18 ATOM 511 HB2 ARG 31 7.717 -28.056 27.080 1.00 30.10 ATOM 512 CG ARG 31 7.980 -26.048 27.741 1.00 60.05 ATOM 513 HG1 ARG 31 6.979 -26.014 28.150 1.00 38.18 ATOM 514 HG2 ARG 31 8.219 -25.090 27.304 1.00 52.54 ATOM 515 CD ARG 31 8.963 -26.328 28.874 1.00 51.51 ATOM 516 HD1 ARG 31 8.972 -25.477 29.541 1.00 38.18 ATOM 517 HD2 ARG 31 9.950 -26.457 28.451 1.00 20.31 ATOM 518 NE ARG 31 8.623 -27.529 29.638 1.00 33.41 ATOM 519 HE ARG 31 8.346 -28.324 29.138 1.00 1.33 ATOM 520 CZ ARG 31 8.684 -27.604 30.943 1.00 13.42 ATOM 521 NH1 ARG 31 9.045 -26.577 31.647 1.00 73.01 ATOM 522 HH11 ARG 31 9.278 -25.718 31.197 1.00 5.43 ATOM 523 HH12 ARG 31 9.089 -26.651 32.642 1.00 64.14 ATOM 524 NH2 ARG 31 8.388 -28.708 31.545 1.00 30.35 ATOM 525 HH21 ARG 31 8.109 -29.507 31.018 1.00 71.31 ATOM 526 HH22 ARG 31 8.448 -28.762 32.541 1.00 51.30 ATOM 527 C ARG 31 7.405 -27.766 24.291 1.00 10.02 ATOM 528 O ARG 31 8.496 -27.758 23.718 1.00 54.10 ATOM 529 N GLY 32 6.424 -28.596 23.942 1.00 53.43 ATOM 530 HN GLY 32 5.590 -28.594 24.459 1.00 38.18 ATOM 531 CA GLY 32 6.578 -29.513 22.811 1.00 1.33 ATOM 532 HA1 GLY 32 6.358 -30.516 23.148 1.00 38.18 ATOM 533 HA2 GLY 32 7.602 -29.482 22.463 1.00 43.34 ATOM 534 C GLY 32 5.654 -29.178 21.640 1.00 75.33 ATOM 535 O GLY 32 5.343 -30.041 20.813 1.00 72.13 ATOM 536 N ILE 33 5.231 -27.919 21.557 1.00 34.20 ATOM 537 HN ILE 33 5.585 -27.256 22.188 1.00 38.18 ATOM 538 CA ILE 33 4.252 -27.495 20.549 1.00 0.35 ATOM 539 HA ILE 33 3.492 -28.263 20.491 1.00 22.22 ATOM 540 CB ILE 33 3.560 -26.167 20.967 1.00 52.33 ATOM 541 HB ILE 33 3.214 -26.280 21.984 1.00 11.22 ATOM 542 CG1 ILE 33 2.348 -25.876 20.062 1.00 23.35 ATOM 543 HG11 ILE 33 1.653 -26.703 20.130 1.00 38.18 ATOM 544 HG12 ILE 33 2.681 -25.777 19.040 1.00 42.53 ATOM 545 CG2 ILE 33 4.551 -25.002 20.941 1.00 42.32 ATOM 546 HG21 ILE 33 5.378 -25.218 21.603 1.00 40.42 ATOM 547 HG22 ILE 33 4.057 -24.100 21.269 1.00 25.24 ATOM 548 HG23 ILE 33 4.922 -24.864 19.936 1.00 4.30 ATOM 549 CD1 ILE 33 1.594 -24.612 20.428 1.00 23.44 ATOM 550 HD11 ILE 33 1.231 -24.688 21.444 1.00 21.44 ATOM 551 HD12 ILE 33 0.756 -24.486 19.757 1.00 40.52 ATOM 552 HD13 ILE 33 2.252 -23.760 20.344 1.00 64.03 ATOM 553 C ILE 33 4.883 -27.322 19.151 1.00 43.13 ATOM 554 O ILE 33 5.996 -26.811 19.011 1.00 51.21 ATOM 555 N ASN 34 4.164 -27.768 18.120 1.00 52.11 ATOM 556 HN ASN 34 3.346 -28.277 18.299 1.00 38.18 ATOM 557 CA ASN 34 4.570 -27.540 16.727 1.00 63.05 ATOM 558 HA ASN 34 5.522 -27.023 16.733 1.00 54.12 ATOM 559 CB ASN 34 4.731 -28.879 15.990 1.00 44.44 ATOM 560 HB1 ASN 34 3.763 -29.351 15.901 1.00 38.18 ATOM 561 HB2 ASN 34 5.382 -29.521 16.566 1.00 74.54 ATOM 562 CG ASN 34 5.321 -28.730 14.595 1.00 30.20 ATOM 563 OD1 ASN 34 5.161 -27.707 13.937 1.00 42.34 ATOM 564 ND2 ASN 34 5.994 -29.757 14.124 1.00 54.32 ATOM 565 HD21 ASN 34 6.077 -30.554 14.688 1.00 21.34 ATOM 566 HD22 ASN 34 6.382 -29.683 13.229 1.00 51.11 ATOM 567 C ASN 34 3.532 -26.660 16.008 1.00 45.22 ATOM 568 O ASN 34 2.408 -27.097 15.748 1.00 4.32 ATOM 569 N LEU 35 3.911 -25.424 15.703 1.00 73.25 ATOM 570 HN LEU 35 4.819 -25.133 15.939 1.00 38.18 ATOM 571 CA LEU 35 3.011 -24.478 15.035 1.00 21.24 ATOM 572 HA LEU 35 2.035 -24.575 15.492 1.00 74.44 ATOM 573 CB LEU 35 3.507 -23.038 15.240 1.00 54.10 ATOM 574 HB1 LEU 35 2.868 -22.376 14.669 1.00 38.18 ATOM 575 HB2 LEU 35 4.512 -22.968 14.844 1.00 31.21 ATOM 576 CG LEU 35 3.528 -22.546 16.698 1.00 25.14 ATOM 577 HG LEU 35 4.164 -23.199 17.281 1.00 14.33 ATOM 578 CD1 LEU 35 4.106 -21.135 16.781 1.00 73.51 ATOM 579 HD11 LEU 35 4.130 -20.815 17.814 1.00 55.32 ATOM 580 HD12 LEU 35 3.488 -20.457 16.210 1.00 44.32 ATOM 581 HD13 LEU 35 5.109 -21.131 16.380 1.00 1.42 ATOM 582 CD2 LEU 35 2.126 -22.589 17.305 1.00 22.13 ATOM 583 HD21 LEU 35 1.470 -21.929 16.753 1.00 62.52 ATOM 584 HD22 LEU 35 2.169 -22.269 18.335 1.00 44.31 ATOM 585 HD23 LEU 35 1.742 -23.599 17.261 1.00 2.33 ATOM 586 C LEU 35 2.878 -24.774 13.532 1.00 13.45 ATOM 587 O LEU 35 1.825 -24.538 12.938 1.00 51.34 ATOM 588 N ARG 36 3.940 -25.301 12.917 1.00 11.13 ATOM 589 HN ARG 36 4.743 -25.511 13.440 1.00 38.18 ATOM 590 CA ARG 36 3.920 -25.580 11.474 1.00 34.40 ATOM 591 HA ARG 36 3.568 -24.686 10.977 1.00 13.51 ATOM 592 CB ARG 36 5.325 -25.912 10.952 1.00 34.44 ATOM 593 HB1 ARG 36 5.594 -26.909 11.271 1.00 38.18 ATOM 594 HB2 ARG 36 6.029 -25.206 11.373 1.00 12.12 ATOM 595 CG ARG 36 5.428 -25.846 9.430 1.00 71.23 ATOM 596 HG1 ARG 36 5.188 -24.842 9.108 1.00 38.18 ATOM 597 HG2 ARG 36 4.716 -26.537 9.004 1.00 25.21 ATOM 598 CD ARG 36 6.820 -26.209 8.923 1.00 62.21 ATOM 599 HD1 ARG 36 7.548 -25.608 9.449 1.00 38.18 ATOM 600 HD2 ARG 36 6.874 -25.992 7.866 1.00 14.52 ATOM 601 NE ARG 36 7.127 -27.619 9.135 1.00 21.44 ATOM 602 HE ARG 36 7.730 -27.845 9.874 1.00 44.24 ATOM 603 CZ ARG 36 6.651 -28.592 8.403 1.00 51.10 ATOM 604 NH1 ARG 36 5.854 -28.344 7.407 1.00 2.11 ATOM 605 HH11 ARG 36 5.604 -27.401 7.187 1.00 55.41 ATOM 606 HH12 ARG 36 5.478 -29.096 6.874 1.00 14.21 ATOM 607 NH2 ARG 36 6.983 -29.814 8.665 1.00 52.33 ATOM 608 HH21 ARG 36 7.606 -30.011 9.419 1.00 33.20 ATOM 609 HH22 ARG 36 6.611 -30.560 8.116 1.00 53.20 ATOM 610 C ARG 36 2.946 -26.725 11.152 1.00 14.52 ATOM 611 O ARG 36 2.260 -26.702 10.131 1.00 60.02 ATOM 612 N LYS 37 2.889 -27.716 12.042 1.00 63.32 ATOM 613 HN LYS 37 3.534 -27.726 12.780 1.00 38.18 ATOM 614 CA LYS 37 1.908 -28.802 11.937 1.00 41.33 ATOM 615 HA LYS 37 2.113 -29.345 11.024 1.00 74.34 ATOM 616 CB LYS 37 2.062 -29.754 13.135 1.00 35.43 ATOM 617 HB1 LYS 37 1.915 -29.188 14.045 1.00 38.18 ATOM 618 HB2 LYS 37 3.069 -30.145 13.135 1.00 24.01 ATOM 619 CG LYS 37 1.097 -30.940 13.155 1.00 63.31 ATOM 620 HG1 LYS 37 1.657 -31.844 13.364 1.00 38.18 ATOM 621 HG2 LYS 37 0.626 -31.026 12.186 1.00 11.22 ATOM 622 CD LYS 37 0.011 -30.771 14.218 1.00 34.52 ATOM 623 HD1 LYS 37 -0.715 -30.049 13.868 1.00 38.18 ATOM 624 HD2 LYS 37 0.465 -30.412 15.131 1.00 12.42 ATOM 625 CE LYS 37 -0.699 -32.087 14.504 1.00 23.24 ATOM 626 HE1 LYS 37 0.046 -32.859 14.622 1.00 38.18 ATOM 627 HE2 LYS 37 -1.333 -32.328 13.665 1.00 53.32 ATOM 628 NZ LYS 37 -1.533 -32.027 15.735 1.00 44.01 ATOM 629 HZ1 LYS 37 -1.944 -32.961 15.937 1.00 53.31 ATOM 630 HZ2 LYS 37 -2.305 -31.342 15.622 1.00 24.14 ATOM 631 HZ3 LYS 37 -0.953 -31.740 16.549 1.00 41.40 ATOM 632 C LYS 37 0.481 -28.234 11.865 1.00 63.43 ATOM 633 O LYS 37 -0.356 -28.707 11.093 1.00 45.43 ATOM 634 N ILE 38 0.222 -27.205 12.669 1.00 15.31 ATOM 635 HN ILE 38 0.896 -26.934 13.327 1.00 38.18 ATOM 636 CA ILE 38 -1.046 -26.473 12.604 1.00 60.11 ATOM 637 HA ILE 38 -1.850 -27.189 12.714 1.00 53.05 ATOM 638 CB ILE 38 -1.152 -25.435 13.752 1.00 51.14 ATOM 639 HB ILE 38 -0.360 -24.711 13.621 1.00 45.13 ATOM 640 CG1 ILE 38 -0.974 -26.122 15.116 1.00 24.12 ATOM 641 HG11 ILE 38 -1.047 -25.380 15.901 1.00 38.18 ATOM 642 HG12 ILE 38 0.003 -26.582 15.156 1.00 55.33 ATOM 643 CG2 ILE 38 -2.485 -24.687 13.696 1.00 10.44 ATOM 644 HG21 ILE 38 -3.299 -25.389 13.805 1.00 65.14 ATOM 645 HG22 ILE 38 -2.576 -24.176 12.748 1.00 32.21 ATOM 646 HG23 ILE 38 -2.525 -23.964 14.498 1.00 24.05 ATOM 647 CD1 ILE 38 -2.001 -27.198 15.398 1.00 21.25 ATOM 648 HD11 ILE 38 -2.990 -26.767 15.371 1.00 33.23 ATOM 649 HD12 ILE 38 -1.819 -27.620 16.375 1.00 45.32 ATOM 650 HD13 ILE 38 -1.924 -27.974 14.651 1.00 63.43 ATOM 651 C ILE 38 -1.198 -25.757 11.249 1.00 11.41 ATOM 652 O ILE 38 -2.242 -25.845 10.604 1.00 25.40 ATOM 653 N ALA 39 -0.139 -25.067 10.820 1.00 75.34 ATOM 654 HN ALA 39 0.661 -25.029 11.386 1.00 38.18 ATOM 655 CA ALA 39 -0.133 -24.357 9.531 1.00 50.55 ATOM 656 HA ALA 39 -0.893 -23.586 9.576 1.00 33.24 ATOM 657 CB ALA 39 1.214 -23.677 9.313 1.00 43.25 ATOM 658 HB1 ALA 39 1.201 -23.138 8.377 1.00 61.42 ATOM 659 HB2 ALA 39 1.997 -24.422 9.287 1.00 34.14 ATOM 660 HB3 ALA 39 1.404 -22.986 10.121 1.00 44.11 ATOM 661 C ALA 39 -0.455 -25.297 8.353 1.00 55.34 ATOM 662 O ALA 39 -1.041 -24.878 7.353 1.00 64.02 ATOM 663 N GLU 40 -0.057 -26.562 8.470 1.00 15.12 ATOM 664 HN GLU 40 0.497 -26.818 9.240 1.00 38.18 ATOM 665 CA GLU 40 -0.400 -27.578 7.469 1.00 21.41 ATOM 666 HA GLU 40 -0.198 -27.159 6.492 1.00 35.31 ATOM 667 CB GLU 40 0.464 -28.834 7.658 1.00 73.03 ATOM 668 HB1 GLU 40 0.127 -29.599 6.971 1.00 38.18 ATOM 669 HB2 GLU 40 0.339 -29.193 8.670 1.00 24.03 ATOM 670 CG GLU 40 1.952 -28.601 7.418 1.00 50.42 ATOM 671 HG1 GLU 40 2.313 -27.889 8.149 1.00 38.18 ATOM 672 HG2 GLU 40 2.082 -28.190 6.427 1.00 34.03 ATOM 673 CD GLU 40 2.774 -29.877 7.524 1.00 45.11 ATOM 674 OE1 GLU 40 3.532 -30.031 8.505 1.00 71.22 ATOM 675 OE2 GLU 40 2.657 -30.739 6.627 1.00 15.53 ATOM 676 C GLU 40 -1.893 -27.947 7.540 1.00 42.43 ATOM 677 O GLU 40 -2.531 -28.195 6.514 1.00 4.42 ATOM 678 N LEU 41 -2.444 -27.975 8.754 1.00 54.41 ATOM 679 HN LEU 41 -1.877 -27.805 9.538 1.00 38.18 ATOM 680 CA LEU 41 -3.875 -28.258 8.957 1.00 53.22 ATOM 681 HA LEU 41 -4.148 -29.077 8.309 1.00 3.31 ATOM 682 CB LEU 41 -4.133 -28.669 10.414 1.00 42.43 ATOM 683 HB1 LEU 41 -5.196 -28.816 10.543 1.00 38.18 ATOM 684 HB2 LEU 41 -3.821 -27.854 11.054 1.00 41.41 ATOM 685 CG LEU 41 -3.410 -29.950 10.873 1.00 24.43 ATOM 686 HG LEU 41 -2.345 -29.816 10.744 1.00 45.34 ATOM 687 CD1 LEU 41 -3.668 -30.223 12.354 1.00 14.30 ATOM 688 HD11 LEU 41 -3.314 -29.388 12.942 1.00 34.34 ATOM 689 HD12 LEU 41 -3.143 -31.118 12.653 1.00 72.51 ATOM 690 HD13 LEU 41 -4.728 -30.356 12.519 1.00 61.34 ATOM 691 CD2 LEU 41 -3.839 -31.147 10.022 1.00 43.52 ATOM 692 HD21 LEU 41 -3.334 -32.036 10.370 1.00 21.14 ATOM 693 HD22 LEU 41 -3.579 -30.969 8.989 1.00 73.22 ATOM 694 HD23 LEU 41 -4.908 -31.286 10.105 1.00 55.25 ATOM 695 C LEU 41 -4.746 -27.047 8.588 1.00 43.11 ATOM 696 O LEU 41 -5.947 -27.181 8.349 1.00 71.44 ATOM 697 N MET 42 -4.133 -25.868 8.551 1.00 35.44 ATOM 698 HN MET 42 -3.189 -25.817 8.812 1.00 38.18 ATOM 699 CA MET 42 -4.827 -24.644 8.142 1.00 72.02 ATOM 700 HA MET 42 -5.875 -24.755 8.387 1.00 70.22 ATOM 701 CB MET 42 -4.272 -23.425 8.895 1.00 61.35 ATOM 702 HB1 MET 42 -4.806 -22.542 8.571 1.00 38.18 ATOM 703 HB2 MET 42 -3.226 -23.308 8.650 1.00 11.10 ATOM 704 CG MET 42 -4.395 -23.523 10.406 1.00 44.21 ATOM 705 HG1 MET 42 -3.783 -24.344 10.754 1.00 38.18 ATOM 706 HG2 MET 42 -5.428 -23.715 10.659 1.00 72.43 ATOM 707 SD MET 42 -3.871 -22.017 11.244 1.00 43.10 ATOM 708 CE MET 42 -5.058 -20.836 10.603 1.00 74.15 ATOM 709 HE1 MET 42 -4.966 -20.776 9.528 1.00 2.01 ATOM 710 HE2 MET 42 -4.869 -19.863 11.035 1.00 43.21 ATOM 711 HE3 MET 42 -6.057 -21.155 10.861 1.00 13.44 ATOM 712 C MET 42 -4.692 -24.405 6.629 1.00 43.45 ATOM 713 O MET 42 -3.589 -24.169 6.133 1.00 4.54 ATOM 714 N PRO 43 -5.800 -24.508 5.868 1.00 72.32 ATOM 715 CA PRO 43 -5.839 -24.090 4.450 1.00 23.33 ATOM 716 HA PRO 43 -5.172 -24.693 3.846 1.00 41.14 ATOM 717 CB PRO 43 -7.301 -24.365 4.037 1.00 32.13 ATOM 718 HB1 PRO 43 -7.351 -25.283 3.468 1.00 38.18 ATOM 719 HB2 PRO 43 -7.673 -23.546 3.434 1.00 2.11 ATOM 720 CG PRO 43 -8.054 -24.483 5.324 1.00 23.55 ATOM 721 HG1 PRO 43 -8.910 -25.130 5.195 1.00 38.18 ATOM 722 HG2 PRO 43 -8.368 -23.504 5.659 1.00 13.42 ATOM 723 CD PRO 43 -7.084 -25.089 6.298 1.00 33.22 ATOM 724 HD1 PRO 43 -7.070 -26.166 6.199 1.00 38.18 ATOM 725 HD2 PRO 43 -7.324 -24.806 7.312 1.00 63.30 ATOM 726 C PRO 43 -5.485 -22.598 4.255 1.00 53.22 ATOM 727 O PRO 43 -4.934 -21.949 5.148 1.00 52.11 ATOM 728 N GLY 44 -5.806 -22.053 3.084 1.00 43.42 ATOM 729 HN GLY 44 -6.258 -22.600 2.406 1.00 38.18 ATOM 730 CA GLY 44 -5.502 -20.655 2.802 1.00 2.23 ATOM 731 HA1 GLY 44 -5.624 -20.483 1.742 1.00 38.18 ATOM 732 HA2 GLY 44 -4.472 -20.463 3.066 1.00 54.04 ATOM 733 C GLY 44 -6.395 -19.677 3.567 1.00 43.02 ATOM 734 O GLY 44 -7.266 -19.035 2.982 1.00 4.25 ATOM 735 N ALA 45 -6.170 -19.564 4.874 1.00 13.32 ATOM 736 HN ALA 45 -5.466 -20.111 5.281 1.00 38.18 ATOM 737 CA ALA 45 -6.947 -18.658 5.729 1.00 73.53 ATOM 738 HA ALA 45 -7.956 -18.612 5.340 1.00 41.13 ATOM 739 CB ALA 45 -7.014 -19.213 7.149 1.00 12.41 ATOM 740 HB1 ALA 45 -7.635 -18.573 7.759 1.00 4.20 ATOM 741 HB2 ALA 45 -6.019 -19.255 7.570 1.00 62.11 ATOM 742 HB3 ALA 45 -7.435 -20.208 7.128 1.00 25.41 ATOM 743 C ALA 45 -6.356 -17.238 5.745 1.00 42.11 ATOM 744 O ALA 45 -5.137 -17.055 5.672 1.00 42.12 ATOM 745 N SER 46 -7.224 -16.233 5.844 1.00 45.12 ATOM 746 HN SER 46 -8.185 -16.437 5.877 1.00 38.18 ATOM 747 CA SER 46 -6.784 -14.829 5.909 1.00 2.41 ATOM 748 HA SER 46 -5.978 -14.702 5.199 1.00 52.13 ATOM 749 CB SER 46 -7.931 -13.881 5.532 1.00 43.31 ATOM 750 HB1 SER 46 -8.313 -14.151 4.557 1.00 38.18 ATOM 751 HB2 SER 46 -7.564 -12.866 5.502 1.00 25.31 ATOM 752 OG SER 46 -8.994 -13.952 6.471 1.00 64.21 ATOM 753 HG SER 46 -9.498 -14.764 6.321 1.00 32.40 ATOM 754 C SER 46 -6.262 -14.473 7.311 1.00 22.42 ATOM 755 O SER 46 -6.494 -15.208 8.272 1.00 33.23 ATOM 756 N GLY 47 -5.566 -13.337 7.418 1.00 31.14 ATOM 757 HN GLY 47 -5.435 -12.782 6.619 1.00 38.18 ATOM 758 CA GLY 47 -4.991 -12.906 8.693 1.00 62.34 ATOM 759 HA1 GLY 47 -4.614 -11.900 8.575 1.00 38.18 ATOM 760 HA2 GLY 47 -4.161 -13.555 8.938 1.00 32.23 ATOM 761 C GLY 47 -5.989 -12.922 9.852 1.00 3.11 ATOM 762 O GLY 47 -5.694 -13.446 10.927 1.00 11.12 ATOM 763 N ALA 48 -7.172 -12.354 9.626 1.00 41.05 ATOM 764 HN ALA 48 -7.332 -11.923 8.759 1.00 38.18 ATOM 765 CA ALA 48 -8.234 -12.330 10.640 1.00 71.23 ATOM 766 HA ALA 48 -7.860 -11.777 11.493 1.00 5.45 ATOM 767 CB ALA 48 -9.454 -11.591 10.102 1.00 55.41 ATOM 768 HB1 ALA 48 -9.157 -10.614 9.748 1.00 10.02 ATOM 769 HB2 ALA 48 -10.185 -11.478 10.890 1.00 15.32 ATOM 770 HB3 ALA 48 -9.889 -12.151 9.286 1.00 15.43 ATOM 771 C ALA 48 -8.623 -13.747 11.102 1.00 70.44 ATOM 772 O ALA 48 -8.812 -13.992 12.293 1.00 42.05 ATOM 773 N GLU 49 -8.726 -14.675 10.150 1.00 44.33 ATOM 774 HN GLU 49 -8.545 -14.423 9.221 1.00 38.18 ATOM 775 CA GLU 49 -9.100 -16.064 10.450 1.00 11.10 ATOM 776 HA GLU 49 -9.983 -16.040 11.074 1.00 4.34 ATOM 777 CB GLU 49 -9.438 -16.805 9.148 1.00 73.23 ATOM 778 HB1 GLU 49 -9.699 -17.827 9.386 1.00 38.18 ATOM 779 HB2 GLU 49 -8.564 -16.806 8.510 1.00 75.44 ATOM 780 CG GLU 49 -10.598 -16.179 8.381 1.00 24.00 ATOM 781 HG1 GLU 49 -10.366 -15.140 8.186 1.00 38.18 ATOM 782 HG2 GLU 49 -11.487 -16.235 8.993 1.00 33.05 ATOM 783 CD GLU 49 -10.876 -16.869 7.056 1.00 53.25 ATOM 784 OE1 GLU 49 -10.151 -16.590 6.075 1.00 3.12 ATOM 785 OE2 GLU 49 -11.829 -17.671 6.984 1.00 72.03 ATOM 786 C GLU 49 -7.981 -16.796 11.210 1.00 20.34 ATOM 787 O GLU 49 -8.240 -17.516 12.177 1.00 24.32 ATOM 788 N VAL 50 -6.735 -16.607 10.771 1.00 72.22 ATOM 789 HN VAL 50 -6.594 -16.076 9.959 1.00 38.18 ATOM 790 CA VAL 50 -5.574 -17.179 11.467 1.00 24.44 ATOM 791 HA VAL 50 -5.708 -18.252 11.509 1.00 72.52 ATOM 792 CB VAL 50 -4.252 -16.879 10.714 1.00 24.45 ATOM 793 HB VAL 50 -4.098 -15.807 10.713 1.00 62.42 ATOM 794 CG1 VAL 50 -3.061 -17.526 11.419 1.00 35.42 ATOM 795 HG11 VAL 50 -3.209 -18.595 11.473 1.00 21.24 ATOM 796 HG12 VAL 50 -2.969 -17.124 12.418 1.00 44.10 ATOM 797 HG13 VAL 50 -2.156 -17.317 10.865 1.00 70.15 ATOM 798 CG2 VAL 50 -4.335 -17.346 9.261 1.00 53.10 ATOM 799 HG21 VAL 50 -5.142 -16.831 8.761 1.00 51.33 ATOM 800 HG22 VAL 50 -4.516 -18.411 9.233 1.00 31.52 ATOM 801 HG23 VAL 50 -3.404 -17.126 8.759 1.00 72.02 ATOM 802 C VAL 50 -5.481 -16.634 12.902 1.00 44.24 ATOM 803 O VAL 50 -5.166 -17.364 13.848 1.00 22.54 ATOM 804 N LYS 51 -5.762 -15.338 13.050 1.00 63.34 ATOM 805 HN LYS 51 -5.904 -14.789 12.249 1.00 38.18 ATOM 806 CA LYS 51 -5.867 -14.713 14.370 1.00 52.54 ATOM 807 HA LYS 51 -4.935 -14.876 14.893 1.00 60.34 ATOM 808 CB LYS 51 -6.113 -13.204 14.228 1.00 61.12 ATOM 809 HB1 LYS 51 -7.013 -13.052 13.647 1.00 38.18 ATOM 810 HB2 LYS 51 -5.278 -12.765 13.698 1.00 35.25 ATOM 811 CG LYS 51 -6.270 -12.473 15.562 1.00 32.24 ATOM 812 HG1 LYS 51 -5.304 -12.417 16.048 1.00 38.18 ATOM 813 HG2 LYS 51 -6.953 -13.029 16.188 1.00 43.15 ATOM 814 CD LYS 51 -6.814 -11.060 15.381 1.00 25.11 ATOM 815 HD1 LYS 51 -6.129 -10.493 14.764 1.00 38.18 ATOM 816 HD2 LYS 51 -6.898 -10.590 16.351 1.00 64.11 ATOM 817 CE LYS 51 -8.186 -11.072 14.716 1.00 5.00 ATOM 818 HE1 LYS 51 -8.838 -11.721 15.282 1.00 38.18 ATOM 819 HE2 LYS 51 -8.084 -11.457 13.711 1.00 43.12 ATOM 820 NZ LYS 51 -8.792 -9.721 14.649 1.00 20.35 ATOM 821 HZ1 LYS 51 -9.020 -9.383 15.606 1.00 74.11 ATOM 822 HZ2 LYS 51 -9.666 -9.750 14.087 1.00 14.22 ATOM 823 HZ3 LYS 51 -8.133 -9.052 14.204 1.00 24.23 ATOM 824 C LYS 51 -7.011 -15.347 15.173 1.00 61.01 ATOM 825 O LYS 51 -6.888 -15.579 16.378 1.00 0.41 ATOM 826 N GLY 52 -8.129 -15.613 14.495 1.00 73.32 ATOM 827 HN GLY 52 -8.190 -15.346 13.552 1.00 38.18 ATOM 828 CA GLY 52 -9.262 -16.276 15.128 1.00 3.34 ATOM 829 HA1 GLY 52 -10.036 -16.422 14.388 1.00 38.18 ATOM 830 HA2 GLY 52 -9.647 -15.638 15.911 1.00 3.12 ATOM 831 C GLY 52 -8.896 -17.628 15.726 1.00 33.33 ATOM 832 O GLY 52 -9.261 -17.929 16.860 1.00 74.53 ATOM 833 N VAL 53 -8.164 -18.439 14.963 1.00 63.22 ATOM 834 HN VAL 53 -7.947 -18.159 14.047 1.00 38.18 ATOM 835 CA VAL 53 -7.681 -19.740 15.448 1.00 63.15 ATOM 836 HA VAL 53 -8.547 -20.347 15.679 1.00 33.34 ATOM 837 CB VAL 53 -6.851 -20.472 14.360 1.00 22.33 ATOM 838 HB VAL 53 -6.029 -19.830 14.070 1.00 44.11 ATOM 839 CG1 VAL 53 -6.265 -21.779 14.897 1.00 35.14 ATOM 840 HG11 VAL 53 -5.625 -21.570 15.743 1.00 3.33 ATOM 841 HG12 VAL 53 -5.687 -22.260 14.122 1.00 53.43 ATOM 842 HG13 VAL 53 -7.066 -22.436 15.208 1.00 74.14 ATOM 843 CG2 VAL 53 -7.706 -20.732 13.122 1.00 73.52 ATOM 844 HG21 VAL 53 -8.551 -21.349 13.391 1.00 3.51 ATOM 845 HG22 VAL 53 -7.114 -21.241 12.372 1.00 25.24 ATOM 846 HG23 VAL 53 -8.061 -19.793 12.723 1.00 42.44 ATOM 847 C VAL 53 -6.832 -19.583 16.721 1.00 74.42 ATOM 848 O VAL 53 -7.051 -20.276 17.715 1.00 0.15 ATOM 849 N CYS 54 -5.872 -18.658 16.683 1.00 75.14 ATOM 850 HN CYS 54 -5.734 -18.153 15.854 1.00 38.18 ATOM 851 CA CYS 54 -5.015 -18.377 17.845 1.00 23.41 ATOM 852 HA CYS 54 -4.491 -19.289 18.099 1.00 64.21 ATOM 853 CB CYS 54 -3.987 -17.290 17.502 1.00 62.11 ATOM 854 HB1 CYS 54 -3.367 -17.102 18.367 1.00 38.18 ATOM 855 HB2 CYS 54 -4.510 -16.381 17.239 1.00 54.51 ATOM 856 SG CYS 54 -2.893 -17.702 16.121 1.00 35.31 ATOM 857 HG CYS 54 -3.649 -17.918 15.052 1.00 62.13 ATOM 858 C CYS 54 -5.848 -17.927 19.055 1.00 22.14 ATOM 859 O CYS 54 -5.608 -18.349 20.188 1.00 20.22 ATOM 860 N THR 55 -6.832 -17.065 18.799 1.00 41.14 ATOM 861 HN THR 55 -6.968 -16.766 17.874 1.00 38.18 ATOM 862 CA THR 55 -7.716 -16.544 19.850 1.00 54.40 ATOM 863 HA THR 55 -7.092 -16.133 20.633 1.00 63.42 ATOM 864 CB THR 55 -8.617 -15.408 19.309 1.00 53.42 ATOM 865 HB THR 55 -9.241 -15.809 18.521 1.00 14.14 ATOM 866 OG1 THR 55 -7.797 -14.357 18.762 1.00 1.12 ATOM 867 HG1 THR 55 -7.876 -14.358 17.800 1.00 54.25 ATOM 868 CG2 THR 55 -9.517 -14.838 20.406 1.00 42.01 ATOM 869 HG21 THR 55 -10.162 -15.618 20.789 1.00 63.34 ATOM 870 HG22 THR 55 -10.122 -14.041 20.000 1.00 41.00 ATOM 871 HG23 THR 55 -8.908 -14.452 21.210 1.00 73.44 ATOM 872 C THR 55 -8.594 -17.652 20.449 1.00 54.22 ATOM 873 O THR 55 -8.706 -17.774 21.669 1.00 40.32 ATOM 874 N GLU 56 -9.212 -18.459 19.587 1.00 32.25 ATOM 875 HN GLU 56 -9.117 -18.292 18.627 1.00 38.18 ATOM 876 CA GLU 56 -10.030 -19.593 20.036 1.00 54.10 ATOM 877 HA GLU 56 -10.806 -19.197 20.678 1.00 14.10 ATOM 878 CB GLU 56 -10.692 -20.289 18.839 1.00 42.44 ATOM 879 HB1 GLU 56 -11.086 -21.243 19.163 1.00 38.18 ATOM 880 HB2 GLU 56 -9.944 -20.460 18.078 1.00 44.20 ATOM 881 CG GLU 56 -11.833 -19.488 18.217 1.00 42.53 ATOM 882 HG1 GLU 56 -12.142 -19.976 17.302 1.00 38.18 ATOM 883 HG2 GLU 56 -11.473 -18.495 17.986 1.00 22.25 ATOM 884 CD GLU 56 -13.039 -19.368 19.140 1.00 21.34 ATOM 885 OE1 GLU 56 -13.947 -20.218 19.051 1.00 65.00 ATOM 886 OE2 GLU 56 -13.086 -18.426 19.965 1.00 14.32 ATOM 887 C GLU 56 -9.200 -20.598 20.848 1.00 62.22 ATOM 888 O GLU 56 -9.674 -21.140 21.846 1.00 31.12 ATOM 889 N ALA 57 -7.960 -20.835 20.420 1.00 61.14 ATOM 890 HN ALA 57 -7.666 -20.442 19.572 1.00 38.18 ATOM 891 CA ALA 57 -7.029 -21.677 21.180 1.00 53.20 ATOM 892 HA ALA 57 -7.438 -22.677 21.221 1.00 71.35 ATOM 893 CB ALA 57 -5.679 -21.742 20.472 1.00 41.44 ATOM 894 HB1 ALA 57 -5.813 -22.131 19.472 1.00 70.32 ATOM 895 HB2 ALA 57 -5.010 -22.390 21.022 1.00 61.23 ATOM 896 HB3 ALA 57 -5.253 -20.750 20.416 1.00 72.13 ATOM 897 C ALA 57 -6.862 -21.144 22.612 1.00 3.21 ATOM 898 O ALA 57 -6.948 -21.897 23.588 1.00 64.24 ATOM 899 N GLY 58 -6.643 -19.833 22.726 1.00 45.44 ATOM 900 HN GLY 58 -6.511 -19.297 21.913 1.00 38.18 ATOM 901 CA GLY 58 -6.585 -19.188 24.032 1.00 42.30 ATOM 902 HA1 GLY 58 -6.343 -18.145 23.896 1.00 38.18 ATOM 903 HA2 GLY 58 -5.805 -19.653 24.618 1.00 72.10 ATOM 904 C GLY 58 -7.906 -19.294 24.793 1.00 33.14 ATOM 905 O GLY 58 -7.920 -19.409 26.019 1.00 54.34 ATOM 906 N MET 59 -9.020 -19.262 24.059 1.00 64.05 ATOM 907 HN MET 59 -8.942 -19.123 23.090 1.00 38.18 ATOM 908 CA MET 59 -10.354 -19.425 24.654 1.00 22.23 ATOM 909 HA MET 59 -10.460 -18.679 25.428 1.00 41.52 ATOM 910 CB MET 59 -11.453 -19.211 23.602 1.00 31.11 ATOM 911 HB1 MET 59 -12.410 -19.425 24.057 1.00 38.18 ATOM 912 HB2 MET 59 -11.293 -19.904 22.789 1.00 12.45 ATOM 913 CG MET 59 -11.519 -17.798 23.018 1.00 61.32 ATOM 914 HG1 MET 59 -11.881 -17.862 22.001 1.00 38.18 ATOM 915 HG2 MET 59 -10.523 -17.377 23.011 1.00 71.33 ATOM 916 SD MET 59 -12.610 -16.686 23.946 1.00 33.24 ATOM 917 CE MET 59 -11.709 -16.475 25.483 1.00 50.32 ATOM 918 HE1 MET 59 -10.714 -16.114 25.272 1.00 41.32 ATOM 919 HE2 MET 59 -11.646 -17.423 25.999 1.00 72.33 ATOM 920 HE3 MET 59 -12.227 -15.760 26.104 1.00 2.32 ATOM 921 C MET 59 -10.508 -20.815 25.289 1.00 31.43 ATOM 922 O MET 59 -11.055 -20.943 26.384 1.00 73.50 ATOM 923 N TYR 60 -10.019 -21.849 24.597 1.00 44.12 ATOM 924 HN TYR 60 -9.623 -21.688 23.711 1.00 38.18 ATOM 925 CA TYR 60 -10.062 -23.220 25.121 1.00 30.34 ATOM 926 HA TYR 60 -11.094 -23.450 25.352 1.00 3.24 ATOM 927 CB TYR 60 -9.555 -24.222 24.073 1.00 61.11 ATOM 928 HB1 TYR 60 -9.558 -25.215 24.502 1.00 38.18 ATOM 929 HB2 TYR 60 -8.543 -23.960 23.797 1.00 4.53 ATOM 930 CG TYR 60 -10.389 -24.259 22.805 1.00 32.43 ATOM 931 CD1 TYR 60 -9.798 -24.112 21.552 1.00 12.04 ATOM 932 HD1 TYR 60 -8.726 -23.981 21.486 1.00 61.34 ATOM 933 CD2 TYR 60 -11.769 -24.428 22.861 1.00 2.51 ATOM 934 HD2 TYR 60 -12.247 -24.546 23.825 1.00 62.41 ATOM 935 CE1 TYR 60 -10.557 -24.127 20.399 1.00 31.25 ATOM 936 HE1 TYR 60 -10.079 -24.012 19.436 1.00 54.30 ATOM 937 CE2 TYR 60 -12.532 -24.448 21.711 1.00 24.41 ATOM 938 HE2 TYR 60 -13.604 -24.581 21.776 1.00 44.42 ATOM 939 CZ TYR 60 -11.922 -24.297 20.482 1.00 10.10 ATOM 940 OH TYR 60 -12.683 -24.304 19.336 1.00 32.11 ATOM 941 HH TYR 60 -13.392 -23.657 19.425 1.00 21.41 ATOM 942 C TYR 60 -9.235 -23.341 26.410 1.00 31.22 ATOM 943 O TYR 60 -9.567 -24.118 27.306 1.00 61.13 ATOM 944 N ALA 61 -8.162 -22.561 26.497 1.00 33.31 ATOM 945 HN ALA 61 -7.898 -22.024 25.718 1.00 38.18 ATOM 946 CA ALA 61 -7.351 -22.499 27.712 1.00 41.23 ATOM 947 HA ALA 61 -7.148 -23.513 28.027 1.00 71.13 ATOM 948 CB ALA 61 -6.016 -21.820 27.420 1.00 4.10 ATOM 949 HB1 ALA 61 -5.400 -21.834 28.308 1.00 4.44 ATOM 950 HB2 ALA 61 -6.188 -20.797 27.119 1.00 64.20 ATOM 951 HB3 ALA 61 -5.510 -22.347 26.623 1.00 15.20 ATOM 952 C ALA 61 -8.091 -21.763 28.845 1.00 0.45 ATOM 953 O ALA 61 -8.251 -22.294 29.948 1.00 40.05 ATOM 954 N LEU 62 -8.555 -20.548 28.559 1.00 35.15 ATOM 955 HN LEU 62 -8.444 -20.202 27.647 1.00 38.18 ATOM 956 CA LEU 62 -9.218 -19.704 29.566 1.00 23.01 ATOM 957 HA LEU 62 -8.512 -19.553 30.371 1.00 50.31 ATOM 958 CB LEU 62 -9.565 -18.334 28.964 1.00 63.12 ATOM 959 HB1 LEU 62 -10.107 -17.763 29.705 1.00 38.18 ATOM 960 HB2 LEU 62 -10.216 -18.495 28.114 1.00 61.41 ATOM 961 CG LEU 62 -8.357 -17.499 28.499 1.00 3.25 ATOM 962 HG LEU 62 -7.827 -18.048 27.735 1.00 24.01 ATOM 963 CD1 LEU 62 -8.810 -16.176 27.887 1.00 31.30 ATOM 964 HD11 LEU 62 -9.347 -15.598 28.627 1.00 75.24 ATOM 965 HD12 LEU 62 -9.458 -16.371 27.045 1.00 43.41 ATOM 966 HD13 LEU 62 -7.946 -15.619 27.554 1.00 15.54 ATOM 967 CD2 LEU 62 -7.388 -17.256 29.657 1.00 10.24 ATOM 968 HD21 LEU 62 -7.041 -18.204 30.044 1.00 32.41 ATOM 969 HD22 LEU 62 -7.890 -16.710 30.442 1.00 52.23 ATOM 970 HD23 LEU 62 -6.543 -16.682 29.305 1.00 10.41 ATOM 971 C LEU 62 -10.481 -20.359 30.154 1.00 4.34 ATOM 972 O LEU 62 -10.706 -20.296 31.366 1.00 24.12 ATOM 973 N ARG 63 -11.295 -20.995 29.308 1.00 22.10 ATOM 974 HN ARG 63 -11.067 -21.018 28.353 1.00 38.18 ATOM 975 CA ARG 63 -12.534 -21.645 29.770 1.00 40.33 ATOM 976 HA ARG 63 -13.139 -20.882 30.242 1.00 73.40 ATOM 977 CB ARG 63 -13.324 -22.227 28.587 1.00 11.52 ATOM 978 HB1 ARG 63 -13.596 -21.420 27.921 1.00 38.18 ATOM 979 HB2 ARG 63 -14.226 -22.688 28.964 1.00 30.05 ATOM 980 CG ARG 63 -12.556 -23.272 27.779 1.00 74.43 ATOM 981 HG1 ARG 63 -12.209 -24.047 28.450 1.00 38.18 ATOM 982 HG2 ARG 63 -11.706 -22.798 27.310 1.00 12.12 ATOM 983 CD ARG 63 -13.423 -23.910 26.697 1.00 23.34 ATOM 984 HD1 ARG 63 -12.793 -24.508 26.053 1.00 38.18 ATOM 985 HD2 ARG 63 -13.889 -23.127 26.115 1.00 73.43 ATOM 986 NE ARG 63 -14.460 -24.764 27.269 1.00 62.33 ATOM 987 HE ARG 63 -14.262 -25.206 28.119 1.00 61.04 ATOM 988 CZ ARG 63 -15.623 -24.991 26.722 1.00 4.04 ATOM 989 NH1 ARG 63 -15.954 -24.425 25.603 1.00 21.11 ATOM 990 HH11 ARG 63 -15.315 -23.806 25.149 1.00 54.30 ATOM 991 HH12 ARG 63 -16.848 -24.602 25.201 1.00 13.34 ATOM 992 NH2 ARG 63 -16.454 -25.792 27.305 1.00 62.40 ATOM 993 HH21 ARG 63 -16.199 -26.231 28.165 1.00 44.42 ATOM 994 HH22 ARG 63 -17.348 -25.965 26.899 1.00 54.24 ATOM 995 C ARG 63 -12.257 -22.752 30.805 1.00 63.41 ATOM 996 O ARG 63 -13.128 -23.098 31.601 1.00 31.22 ATOM 997 N GLU 64 -11.047 -23.307 30.784 1.00 44.15 ATOM 998 HN GLU 64 -10.407 -23.023 30.097 1.00 38.18 ATOM 999 CA GLU 64 -10.649 -24.336 31.755 1.00 4.41 ATOM 1000 HA GLU 64 -11.539 -24.675 32.268 1.00 60.15 ATOM 1001 CB GLU 64 -10.016 -25.529 31.025 1.00 42.01 ATOM 1002 HB1 GLU 64 -9.651 -26.235 31.760 1.00 38.18 ATOM 1003 HB2 GLU 64 -9.180 -25.174 30.438 1.00 54.42 ATOM 1004 CG GLU 64 -10.977 -26.266 30.094 1.00 51.31 ATOM 1005 HG1 GLU 64 -11.327 -25.572 29.342 1.00 38.18 ATOM 1006 HG2 GLU 64 -11.817 -26.619 30.672 1.00 61.45 ATOM 1007 CD GLU 64 -10.337 -27.459 29.395 1.00 72.32 ATOM 1008 OE1 GLU 64 -10.874 -27.915 28.365 1.00 41.55 ATOM 1009 OE2 GLU 64 -9.281 -27.941 29.861 1.00 21.24 ATOM 1010 C GLU 64 -9.669 -23.776 32.800 1.00 1.01 ATOM 1011 O GLU 64 -9.028 -24.534 33.534 1.00 14.31 ATOM 1012 N ARG 65 -9.565 -22.445 32.860 1.00 53.15 ATOM 1013 HN ARG 65 -10.117 -21.908 32.254 1.00 38.18 ATOM 1014 CA ARG 65 -8.664 -21.753 33.801 1.00 24.24 ATOM 1015 HA ARG 65 -8.782 -20.691 33.629 1.00 42.14 ATOM 1016 CB ARG 65 -9.056 -22.057 35.261 1.00 62.50 ATOM 1017 HB1 ARG 65 -8.275 -21.690 35.914 1.00 38.18 ATOM 1018 HB2 ARG 65 -9.131 -23.128 35.381 1.00 73.14 ATOM 1019 CG ARG 65 -10.379 -21.440 35.712 1.00 74.12 ATOM 1020 HG1 ARG 65 -10.534 -21.669 36.758 1.00 38.18 ATOM 1021 HG2 ARG 65 -11.181 -21.869 35.129 1.00 24.21 ATOM 1022 CD ARG 65 -10.392 -19.925 35.529 1.00 72.41 ATOM 1023 HD1 ARG 65 -10.491 -19.703 34.476 1.00 38.18 ATOM 1024 HD2 ARG 65 -9.455 -19.527 35.890 1.00 3.14 ATOM 1025 NE ARG 65 -11.483 -19.278 36.259 1.00 35.20 ATOM 1026 HE ARG 65 -11.254 -18.830 37.099 1.00 5.12 ATOM 1027 CZ ARG 65 -12.726 -19.225 35.857 1.00 73.03 ATOM 1028 NH1 ARG 65 -13.109 -19.843 34.786 1.00 73.40 ATOM 1029 HH11 ARG 65 -12.455 -20.368 34.253 1.00 0.11 ATOM 1030 HH12 ARG 65 -14.067 -19.804 34.505 1.00 72.55 ATOM 1031 NH2 ARG 65 -13.588 -18.564 36.556 1.00 5.11 ATOM 1032 HH21 ARG 65 -13.300 -18.103 37.392 1.00 22.14 ATOM 1033 HH22 ARG 65 -14.541 -18.512 36.261 1.00 52.23 ATOM 1034 C ARG 65 -7.182 -22.111 33.577 1.00 12.35 ATOM 1035 O ARG 65 -6.358 -21.948 34.480 1.00 72.43 ATOM 1036 N ARG 66 -6.840 -22.577 32.377 1.00 65.01 ATOM 1037 HN ARG 66 -7.528 -22.678 31.689 1.00 38.18 ATOM 1038 CA ARG 66 -5.449 -22.931 32.061 1.00 54.41 ATOM 1039 HA ARG 66 -5.084 -23.581 32.845 1.00 74.22 ATOM 1040 CB ARG 66 -5.344 -23.664 30.715 1.00 64.41 ATOM 1041 HB1 ARG 66 -4.324 -24.007 30.592 1.00 38.18 ATOM 1042 HB2 ARG 66 -5.567 -22.962 29.922 1.00 21.43 ATOM 1043 CG ARG 66 -6.268 -24.866 30.544 1.00 70.51 ATOM 1044 HG1 ARG 66 -7.296 -24.526 30.536 1.00 38.18 ATOM 1045 HG2 ARG 66 -6.116 -25.551 31.368 1.00 11.14 ATOM 1046 CD ARG 66 -5.968 -25.584 29.229 1.00 72.31 ATOM 1047 HD1 ARG 66 -5.061 -26.162 29.353 1.00 38.18 ATOM 1048 HD2 ARG 66 -5.810 -24.840 28.459 1.00 10.32 ATOM 1049 NE ARG 66 -7.041 -26.477 28.800 1.00 52.13 ATOM 1050 HE ARG 66 -7.576 -26.922 29.490 1.00 51.24 ATOM 1051 CZ ARG 66 -7.323 -26.713 27.543 1.00 72.13 ATOM 1052 NH1 ARG 66 -6.652 -26.132 26.604 1.00 30.54 ATOM 1053 HH11 ARG 66 -5.918 -25.504 26.831 1.00 11.24 ATOM 1054 HH12 ARG 66 -6.879 -26.306 25.646 1.00 53.13 ATOM 1055 NH2 ARG 66 -8.275 -27.525 27.227 1.00 62.30 ATOM 1056 HH21 ARG 66 -8.804 -27.975 27.945 1.00 52.34 ATOM 1057 HH22 ARG 66 -8.485 -27.694 26.270 1.00 43.23 ATOM 1058 C ARG 66 -4.558 -21.680 31.998 1.00 4.21 ATOM 1059 O ARG 66 -5.029 -20.576 31.718 1.00 21.22 ATOM 1060 N VAL 67 -3.271 -21.863 32.263 1.00 73.33 ATOM 1061 HN VAL 67 -2.977 -22.733 32.604 1.00 38.18 ATOM 1062 CA VAL 67 -2.280 -20.798 32.082 1.00 1.13 ATOM 1063 HA VAL 67 -2.810 -19.864 31.939 1.00 11.11 ATOM 1064 CB VAL 67 -1.375 -20.660 33.333 1.00 73.45 ATOM 1065 HB VAL 67 -0.764 -21.550 33.408 1.00 74.12 ATOM 1066 CG1 VAL 67 -0.441 -19.458 33.202 1.00 71.25 ATOM 1067 HG11 VAL 67 0.153 -19.361 34.100 1.00 5.43 ATOM 1068 HG12 VAL 67 -1.026 -18.559 33.060 1.00 65.11 ATOM 1069 HG13 VAL 67 0.213 -19.598 32.353 1.00 34.10 ATOM 1070 CG2 VAL 67 -2.225 -20.557 34.601 1.00 11.21 ATOM 1071 HG21 VAL 67 -2.833 -21.446 34.700 1.00 14.22 ATOM 1072 HG22 VAL 67 -2.867 -19.690 34.538 1.00 2.21 ATOM 1073 HG23 VAL 67 -1.581 -20.466 35.464 1.00 31.25 ATOM 1074 C VAL 67 -1.419 -21.074 30.834 1.00 73.33 ATOM 1075 O VAL 67 -0.709 -20.194 30.338 1.00 52.11 ATOM 1076 N HIS 68 -1.483 -22.311 30.334 1.00 41.10 ATOM 1077 HN HIS 68 -2.027 -22.981 30.804 1.00 38.18 ATOM 1078 CA HIS 68 -0.771 -22.710 29.112 1.00 32.22 ATOM 1079 HA HIS 68 -0.263 -21.835 28.727 1.00 71.44 ATOM 1080 CB HIS 68 0.278 -23.788 29.429 1.00 43.42 ATOM 1081 HB1 HIS 68 0.674 -24.181 28.502 1.00 38.18 ATOM 1082 HB2 HIS 68 -0.191 -24.591 29.978 1.00 73.30 ATOM 1083 CG HIS 68 1.434 -23.295 30.250 1.00 44.45 ATOM 1084 ND1 HIS 68 1.548 -21.994 30.697 1.00 71.35 ATOM 1085 HD1 HIS 68 0.905 -21.276 30.536 1.00 53.23 ATOM 1086 CD2 HIS 68 2.539 -23.937 30.700 1.00 15.32 ATOM 1087 HD2 HIS 68 2.785 -24.979 30.545 1.00 44.20 ATOM 1088 CE1 HIS 68 2.668 -21.858 31.379 1.00 13.32 ATOM 1089 HE1 HIS 68 3.015 -20.950 31.848 1.00 32.32 ATOM 1090 NE2 HIS 68 3.286 -23.018 31.396 1.00 74.30 ATOM 1091 HE2 HIS 68 4.205 -23.158 31.716 1.00 38.18 ATOM 1092 C HIS 68 -1.742 -23.225 28.031 1.00 64.24 ATOM 1093 O HIS 68 -2.789 -23.794 28.337 1.00 63.13 ATOM 1094 N VAL 69 -1.378 -23.019 26.766 1.00 13.25 ATOM 1095 HN VAL 69 -0.529 -22.570 26.587 1.00 38.18 ATOM 1096 CA VAL 69 -2.203 -23.442 25.627 1.00 15.44 ATOM 1097 HA VAL 69 -3.187 -23.701 25.999 1.00 53.21 ATOM 1098 CB VAL 69 -2.359 -22.292 24.598 1.00 31.51 ATOM 1099 HB VAL 69 -1.384 -22.088 24.174 1.00 4.23 ATOM 1100 CG1 VAL 69 -3.292 -22.697 23.455 1.00 11.54 ATOM 1101 HG11 VAL 69 -2.899 -23.573 22.959 1.00 22.54 ATOM 1102 HG12 VAL 69 -3.365 -21.887 22.742 1.00 11.10 ATOM 1103 HG13 VAL 69 -4.274 -22.918 23.848 1.00 64.41 ATOM 1104 CG2 VAL 69 -2.852 -21.017 25.283 1.00 75.40 ATOM 1105 HG21 VAL 69 -3.824 -21.195 25.724 1.00 72.15 ATOM 1106 HG22 VAL 69 -2.926 -20.221 24.557 1.00 34.13 ATOM 1107 HG23 VAL 69 -2.154 -20.732 26.058 1.00 54.11 ATOM 1108 C VAL 69 -1.592 -24.669 24.927 1.00 34.02 ATOM 1109 O VAL 69 -0.373 -24.750 24.745 1.00 22.32 ATOM 1110 N THR 70 -2.442 -25.616 24.536 1.00 12.51 ATOM 1111 HN THR 70 -3.404 -25.471 24.669 1.00 38.18 ATOM 1112 CA THR 70 -1.990 -26.860 23.894 1.00 35.22 ATOM 1113 HA THR 70 -0.951 -27.017 24.147 1.00 3.22 ATOM 1114 CB THR 70 -2.805 -28.087 24.386 1.00 71.12 ATOM 1115 HB THR 70 -2.318 -28.989 24.040 1.00 14.43 ATOM 1116 OG1 THR 70 -4.141 -28.046 23.856 1.00 62.25 ATOM 1117 HG1 THR 70 -4.597 -27.270 24.206 1.00 71.55 ATOM 1118 CG2 THR 70 -2.877 -28.124 25.909 1.00 42.23 ATOM 1119 HG21 THR 70 -1.877 -28.172 26.316 1.00 3.22 ATOM 1120 HG22 THR 70 -3.434 -28.993 26.224 1.00 71.44 ATOM 1121 HG23 THR 70 -3.369 -27.232 26.269 1.00 43.10 ATOM 1122 C THR 70 -2.126 -26.784 22.369 1.00 5.35 ATOM 1123 O THR 70 -2.923 -26.005 21.843 1.00 1.14 ATOM 1124 N GLN 71 -1.348 -27.602 21.659 1.00 10.33 ATOM 1125 HN GLN 71 -0.677 -28.149 22.124 1.00 38.18 ATOM 1126 CA GLN 71 -1.475 -27.710 20.201 1.00 12.22 ATOM 1127 HA GLN 71 -1.313 -26.726 19.779 1.00 4.33 ATOM 1128 CB GLN 71 -0.420 -28.678 19.642 1.00 75.44 ATOM 1129 HB1 GLN 71 -0.506 -29.626 20.156 1.00 38.18 ATOM 1130 HB2 GLN 71 0.563 -28.268 19.830 1.00 54.31 ATOM 1131 CG GLN 71 -0.552 -28.933 18.145 1.00 20.31 ATOM 1132 HG1 GLN 71 -0.444 -27.991 17.623 1.00 38.18 ATOM 1133 HG2 GLN 71 -1.532 -29.340 17.943 1.00 24.30 ATOM 1134 CD GLN 71 0.489 -29.898 17.616 1.00 22.45 ATOM 1135 OE1 GLN 71 0.294 -31.108 17.611 1.00 53.32 ATOM 1136 NE2 GLN 71 1.593 -29.371 17.135 1.00 41.33 ATOM 1137 HE21 GLN 71 1.681 -28.397 17.140 1.00 1.22 ATOM 1138 HE22 GLN 71 2.278 -29.981 16.784 1.00 2.12 ATOM 1139 C GLN 71 -2.885 -28.185 19.821 1.00 54.52 ATOM 1140 O GLN 71 -3.438 -27.790 18.789 1.00 35.20 ATOM 1141 N GLU 72 -3.460 -29.019 20.687 1.00 40.42 ATOM 1142 HN GLU 72 -2.951 -29.296 21.476 1.00 38.18 ATOM 1143 CA GLU 72 -4.814 -29.541 20.500 1.00 34.30 ATOM 1144 HA GLU 72 -4.815 -30.124 19.591 1.00 23.02 ATOM 1145 CB GLU 72 -5.217 -30.455 21.676 1.00 43.13 ATOM 1146 HB1 GLU 72 -6.233 -30.792 21.517 1.00 38.18 ATOM 1147 HB2 GLU 72 -5.183 -29.879 22.589 1.00 45.32 ATOM 1148 CG GLU 72 -4.331 -31.693 21.860 1.00 20.44 ATOM 1149 HG1 GLU 72 -4.181 -32.158 20.895 1.00 38.18 ATOM 1150 HG2 GLU 72 -4.844 -32.389 22.509 1.00 50.32 ATOM 1151 CD GLU 72 -2.967 -31.383 22.469 1.00 33.05 ATOM 1152 OE1 GLU 72 -2.842 -31.419 23.714 1.00 44.23 ATOM 1153 OE2 GLU 72 -2.016 -31.098 21.709 1.00 14.40 ATOM 1154 C GLU 72 -5.833 -28.401 20.355 1.00 74.11 ATOM 1155 O GLU 72 -6.733 -28.465 19.515 1.00 23.45 ATOM 1156 N ASP 73 -5.678 -27.353 21.164 1.00 13.12 ATOM 1157 HN ASP 73 -4.948 -27.360 21.821 1.00 38.18 ATOM 1158 CA ASP 73 -6.572 -26.192 21.095 1.00 74.34 ATOM 1159 HA ASP 73 -7.579 -26.542 21.274 1.00 32.20 ATOM 1160 CB ASP 73 -6.208 -25.164 22.172 1.00 24.22 ATOM 1161 HB1 ASP 73 -6.907 -24.340 22.123 1.00 38.18 ATOM 1162 HB2 ASP 73 -5.210 -24.791 21.982 1.00 43.12 ATOM 1163 CG ASP 73 -6.248 -25.743 23.575 1.00 42.32 ATOM 1164 OD1 ASP 73 -5.307 -25.497 24.356 1.00 11.15 ATOM 1165 OD2 ASP 73 -7.211 -26.467 23.902 1.00 23.11 ATOM 1166 C ASP 73 -6.519 -25.531 19.708 1.00 10.13 ATOM 1167 O ASP 73 -7.553 -25.222 19.116 1.00 24.02 ATOM 1168 N PHE 74 -5.304 -25.329 19.194 1.00 74.41 ATOM 1169 HN PHE 74 -4.517 -25.597 19.715 1.00 38.18 ATOM 1170 CA PHE 74 -5.112 -24.721 17.872 1.00 2.11 ATOM 1171 HA PHE 74 -5.559 -23.737 17.898 1.00 72.32 ATOM 1172 CB PHE 74 -3.615 -24.572 17.557 1.00 70.43 ATOM 1173 HB1 PHE 74 -3.498 -24.292 16.519 1.00 38.18 ATOM 1174 HB2 PHE 74 -3.124 -25.521 17.721 1.00 65.54 ATOM 1175 CG PHE 74 -2.911 -23.536 18.397 1.00 63.31 ATOM 1176 CD1 PHE 74 -2.269 -23.889 19.576 1.00 64.12 ATOM 1177 HD1 PHE 74 -2.272 -24.922 19.895 1.00 21.13 ATOM 1178 CD2 PHE 74 -2.896 -22.203 18.006 1.00 14.33 ATOM 1179 HD2 PHE 74 -3.391 -21.914 17.089 1.00 21.31 ATOM 1180 CE1 PHE 74 -1.625 -22.936 20.342 1.00 23.35 ATOM 1181 HE1 PHE 74 -1.129 -23.224 21.258 1.00 4.43 ATOM 1182 CE2 PHE 74 -2.253 -21.248 18.769 1.00 53.12 ATOM 1183 HE2 PHE 74 -2.251 -20.214 18.451 1.00 13.31 ATOM 1184 CZ PHE 74 -1.620 -21.614 19.940 1.00 13.14 ATOM 1185 HZ PHE 74 -1.118 -20.869 20.538 1.00 24.43 ATOM 1186 C PHE 74 -5.800 -25.537 16.765 1.00 33.51 ATOM 1187 O PHE 74 -6.627 -25.008 16.023 1.00 21.50 ATOM 1188 N GLU 75 -5.474 -26.827 16.669 1.00 5.01 ATOM 1189 HN GLU 75 -4.858 -27.217 17.328 1.00 38.18 ATOM 1190 CA GLU 75 -6.025 -27.681 15.605 1.00 63.32 ATOM 1191 HA GLU 75 -5.826 -27.181 14.667 1.00 14.32 ATOM 1192 CB GLU 75 -5.317 -29.045 15.578 1.00 75.22 ATOM 1193 HB1 GLU 75 -4.272 -28.886 15.349 1.00 38.18 ATOM 1194 HB2 GLU 75 -5.754 -29.647 14.794 1.00 30.14 ATOM 1195 CG GLU 75 -5.401 -29.833 16.880 1.00 44.53 ATOM 1196 HG1 GLU 75 -6.428 -30.127 17.044 1.00 38.18 ATOM 1197 HG2 GLU 75 -5.077 -29.199 17.695 1.00 60.15 ATOM 1198 CD GLU 75 -4.533 -31.082 16.855 1.00 3.44 ATOM 1199 OE1 GLU 75 -5.016 -32.142 16.398 1.00 3.04 ATOM 1200 OE2 GLU 75 -3.360 -31.005 17.271 1.00 3.13 ATOM 1201 C GLU 75 -7.551 -27.847 15.731 1.00 43.21 ATOM 1202 O GLU 75 -8.252 -27.976 14.724 1.00 11.50 ATOM 1203 N MET 76 -8.066 -27.836 16.963 1.00 63.51 ATOM 1204 HN MET 76 -7.461 -27.837 17.736 1.00 38.18 ATOM 1205 CA MET 76 -9.521 -27.819 17.187 1.00 53.31 ATOM 1206 HA MET 76 -9.951 -28.631 16.616 1.00 43.51 ATOM 1207 CB MET 76 -9.849 -28.026 18.675 1.00 35.21 ATOM 1208 HB1 MET 76 -10.873 -27.727 18.852 1.00 38.18 ATOM 1209 HB2 MET 76 -9.196 -27.401 19.269 1.00 11.44 ATOM 1210 CG MET 76 -9.689 -29.466 19.143 1.00 0.45 ATOM 1211 HG1 MET 76 -9.844 -29.506 20.212 1.00 38.18 ATOM 1212 HG2 MET 76 -8.686 -29.799 18.914 1.00 21.14 ATOM 1213 SD MET 76 -10.867 -30.579 18.345 1.00 3.21 ATOM 1214 CE MET 76 -12.424 -29.917 18.945 1.00 44.00 ATOM 1215 HE1 MET 76 -12.516 -28.882 18.647 1.00 61.50 ATOM 1216 HE2 MET 76 -12.453 -29.985 20.023 1.00 55.43 ATOM 1217 HE3 MET 76 -13.244 -30.485 18.526 1.00 55.14 ATOM 1218 C MET 76 -10.129 -26.500 16.693 1.00 75.24 ATOM 1219 O MET 76 -11.178 -26.486 16.042 1.00 21.21 ATOM 1220 N ALA 77 -9.452 -25.397 17.001 1.00 30.34 ATOM 1221 HN ALA 77 -8.639 -25.475 17.548 1.00 38.18 ATOM 1222 CA ALA 77 -9.884 -24.070 16.558 1.00 44.54 ATOM 1223 HA ALA 77 -10.892 -23.911 16.922 1.00 23.42 ATOM 1224 CB ALA 77 -8.989 -22.996 17.165 1.00 3.13 ATOM 1225 HB1 ALA 77 -7.978 -23.124 16.805 1.00 74.20 ATOM 1226 HB2 ALA 77 -9.000 -23.082 18.242 1.00 63.13 ATOM 1227 HB3 ALA 77 -9.352 -22.018 16.880 1.00 64.11 ATOM 1228 C ALA 77 -9.890 -23.958 15.026 1.00 11.33 ATOM 1229 O ALA 77 -10.789 -23.353 14.447 1.00 4.34 ATOM 1230 N VAL 78 -8.891 -24.557 14.374 1.00 50.40 ATOM 1231 HN VAL 78 -8.191 -25.009 14.892 1.00 38.18 ATOM 1232 CA VAL 78 -8.802 -24.547 12.904 1.00 4.22 ATOM 1233 HA VAL 78 -8.646 -23.523 12.589 1.00 32.10 ATOM 1234 CB VAL 78 -7.608 -25.399 12.396 1.00 51.42 ATOM 1235 HB VAL 78 -7.745 -26.413 12.747 1.00 73.32 ATOM 1236 CG1 VAL 78 -7.566 -25.429 10.868 1.00 25.10 ATOM 1237 HG11 VAL 78 -8.477 -25.871 10.489 1.00 0.31 ATOM 1238 HG12 VAL 78 -6.721 -26.018 10.542 1.00 71.34 ATOM 1239 HG13 VAL 78 -7.470 -24.421 10.488 1.00 71.20 ATOM 1240 CG2 VAL 78 -6.291 -24.876 12.962 1.00 44.44 ATOM 1241 HG21 VAL 78 -6.147 -23.849 12.653 1.00 51.34 ATOM 1242 HG22 VAL 78 -5.472 -25.480 12.595 1.00 11.32 ATOM 1243 HG23 VAL 78 -6.318 -24.925 14.039 1.00 63.54 ATOM 1244 C VAL 78 -10.092 -25.076 12.258 1.00 43.01 ATOM 1245 O VAL 78 -10.662 -24.440 11.370 1.00 33.31 ATOM 1246 N ALA 79 -10.547 -26.238 12.719 1.00 72.23 ATOM 1247 HN ALA 79 -10.052 -26.690 13.437 1.00 38.18 ATOM 1248 CA ALA 79 -11.763 -26.861 12.186 1.00 23.11 ATOM 1249 HA ALA 79 -11.618 -27.010 11.124 1.00 62.00 ATOM 1250 CB ALA 79 -11.974 -28.229 12.828 1.00 40.04 ATOM 1251 HB1 ALA 79 -11.094 -28.840 12.677 1.00 71.31 ATOM 1252 HB2 ALA 79 -12.827 -28.713 12.374 1.00 51.52 ATOM 1253 HB3 ALA 79 -12.149 -28.110 13.887 1.00 34.23 ATOM 1254 C ALA 79 -13.001 -25.976 12.397 1.00 2.14 ATOM 1255 O ALA 79 -13.830 -25.825 11.499 1.00 64.54 ATOM 1256 N LYS 80 -13.115 -25.377 13.582 1.00 60.54 ATOM 1257 HN LYS 80 -12.398 -25.493 14.245 1.00 38.18 ATOM 1258 CA LYS 80 -14.282 -24.553 13.924 1.00 64.24 ATOM 1259 HA LYS 80 -15.165 -25.102 13.628 1.00 63.11 ATOM 1260 CB LYS 80 -14.335 -24.320 15.443 1.00 60.15 ATOM 1261 HB1 LYS 80 -13.503 -23.691 15.728 1.00 38.18 ATOM 1262 HB2 LYS 80 -14.240 -25.273 15.943 1.00 5.24 ATOM 1263 CG LYS 80 -15.627 -23.656 15.918 1.00 15.05 ATOM 1264 HG1 LYS 80 -16.466 -24.266 15.611 1.00 38.18 ATOM 1265 HG2 LYS 80 -15.708 -22.681 15.457 1.00 75.32 ATOM 1266 CD LYS 80 -15.663 -23.486 17.436 1.00 24.13 ATOM 1267 HD1 LYS 80 -16.591 -23.002 17.709 1.00 38.18 ATOM 1268 HD2 LYS 80 -14.832 -22.864 17.740 1.00 31.11 ATOM 1269 CE LYS 80 -15.571 -24.824 18.170 1.00 21.34 ATOM 1270 HE1 LYS 80 -15.600 -24.637 19.234 1.00 38.18 ATOM 1271 HE2 LYS 80 -14.633 -25.298 17.917 1.00 73.42 ATOM 1272 NZ LYS 80 -16.686 -25.744 17.814 1.00 32.31 ATOM 1273 HZ1 LYS 80 -16.628 -26.013 16.811 1.00 34.54 ATOM 1274 HZ2 LYS 80 -17.601 -25.282 17.985 1.00 10.21 ATOM 1275 HZ3 LYS 80 -16.636 -26.606 18.393 1.00 62.11 ATOM 1276 C LYS 80 -14.269 -23.205 13.174 1.00 11.12 ATOM 1277 O LYS 80 -15.261 -22.823 12.546 1.00 20.22 ATOM 1278 N VAL 81 -13.140 -22.497 13.243 1.00 14.54 ATOM 1279 HN VAL 81 -12.391 -22.858 13.759 1.00 38.18 ATOM 1280 CA VAL 81 -12.979 -21.193 12.577 1.00 60.21 ATOM 1281 HA VAL 81 -13.761 -20.539 12.939 1.00 1.23 ATOM 1282 CB VAL 81 -11.609 -20.551 12.934 1.00 32.31 ATOM 1283 HB VAL 81 -10.828 -21.246 12.656 1.00 1.34 ATOM 1284 CG1 VAL 81 -11.385 -19.253 12.158 1.00 72.13 ATOM 1285 HG11 VAL 81 -10.438 -18.818 12.446 1.00 60.22 ATOM 1286 HG12 VAL 81 -12.182 -18.557 12.376 1.00 54.41 ATOM 1287 HG13 VAL 81 -11.373 -19.465 11.098 1.00 5.53 ATOM 1288 CG2 VAL 81 -11.508 -20.302 14.439 1.00 13.54 ATOM 1289 HG21 VAL 81 -12.296 -19.631 14.749 1.00 20.55 ATOM 1290 HG22 VAL 81 -10.549 -19.860 14.670 1.00 12.14 ATOM 1291 HG23 VAL 81 -11.607 -21.239 14.966 1.00 41.34 ATOM 1292 C VAL 81 -13.104 -21.308 11.049 1.00 43.35 ATOM 1293 O VAL 81 -13.803 -20.519 10.411 1.00 71.14 ATOM 1294 N MET 82 -12.431 -22.298 10.464 1.00 13.24 ATOM 1295 HN MET 82 -11.879 -22.892 11.017 1.00 38.18 ATOM 1296 CA MET 82 -12.492 -22.518 9.013 1.00 40.11 ATOM 1297 HA MET 82 -12.513 -21.550 8.534 1.00 42.22 ATOM 1298 CB MET 82 -11.246 -23.276 8.537 1.00 75.50 ATOM 1299 HB1 MET 82 -11.321 -23.435 7.469 1.00 38.18 ATOM 1300 HB2 MET 82 -11.215 -24.236 9.033 1.00 33.35 ATOM 1301 CG MET 82 -9.937 -22.547 8.821 1.00 62.43 ATOM 1302 HG1 MET 82 -9.121 -23.121 8.401 1.00 38.18 ATOM 1303 HG2 MET 82 -9.806 -22.472 9.891 1.00 25.42 ATOM 1304 SD MET 82 -9.895 -20.886 8.119 1.00 45.05 ATOM 1305 CE MET 82 -10.081 -21.237 6.371 1.00 51.53 ATOM 1306 HE1 MET 82 -11.027 -21.729 6.200 1.00 0.35 ATOM 1307 HE2 MET 82 -9.277 -21.882 6.046 1.00 61.51 ATOM 1308 HE3 MET 82 -10.050 -20.313 5.813 1.00 23.44 ATOM 1309 C MET 82 -13.762 -23.288 8.607 1.00 0.40 ATOM 1310 O MET 82 -13.956 -23.606 7.431 1.00 14.04 ATOM 1311 N GLN 83 -14.613 -23.596 9.597 1.00 11.34 ATOM 1312 HN GLN 83 -14.367 -23.359 10.514 1.00 38.18 ATOM 1313 CA GLN 83 -15.901 -24.275 9.364 1.00 0.01 ATOM 1314 HA GLN 83 -16.368 -24.431 10.326 1.00 61.23 ATOM 1315 CB GLN 83 -16.817 -23.383 8.506 1.00 45.40 ATOM 1316 HB1 GLN 83 -17.783 -23.858 8.415 1.00 38.18 ATOM 1317 HB2 GLN 83 -16.382 -23.282 7.522 1.00 64.10 ATOM 1318 CG GLN 83 -17.025 -21.983 9.081 1.00 4.44 ATOM 1319 HG1 GLN 83 -16.058 -21.530 9.242 1.00 38.18 ATOM 1320 HG2 GLN 83 -17.542 -22.068 10.026 1.00 25.13 ATOM 1321 CD GLN 83 -17.839 -21.082 8.168 1.00 22.15 ATOM 1322 OE1 GLN 83 -18.703 -21.540 7.429 1.00 52.35 ATOM 1323 NE2 GLN 83 -17.561 -19.792 8.200 1.00 12.44 ATOM 1324 HE21 GLN 83 -16.855 -19.485 8.803 1.00 74.44 ATOM 1325 HE22 GLN 83 -18.075 -19.198 7.615 1.00 5.24 ATOM 1326 C GLN 83 -15.702 -25.645 8.691 1.00 13.31 ATOM 1327 O GLN 83 -16.607 -26.174 8.036 1.00 33.43 ATOM 1328 N LYS 84 -14.526 -26.231 8.896 1.00 53.02 ATOM 1329 HN LYS 84 -13.914 -25.844 9.558 1.00 38.18 ATOM 1330 CA LYS 84 -14.125 -27.446 8.184 1.00 14.31 ATOM 1331 HA LYS 84 -14.613 -27.440 7.218 1.00 23.30 ATOM 1332 CB LYS 84 -12.596 -27.441 7.970 1.00 0.21 ATOM 1333 HB1 LYS 84 -12.129 -27.999 8.770 1.00 38.18 ATOM 1334 HB2 LYS 84 -12.244 -26.419 8.014 1.00 71.22 ATOM 1335 CG LYS 84 -12.136 -28.037 6.638 1.00 12.14 ATOM 1336 HG1 LYS 84 -11.061 -27.937 6.566 1.00 38.18 ATOM 1337 HG2 LYS 84 -12.597 -27.482 5.833 1.00 22.50 ATOM 1338 CD LYS 84 -12.506 -29.513 6.484 1.00 44.41 ATOM 1339 HD1 LYS 84 -12.235 -29.836 5.488 1.00 38.18 ATOM 1340 HD2 LYS 84 -13.572 -29.622 6.616 1.00 11.33 ATOM 1341 CE LYS 84 -11.792 -30.399 7.502 1.00 25.03 ATOM 1342 HE1 LYS 84 -12.102 -30.112 8.497 1.00 38.18 ATOM 1343 HE2 LYS 84 -10.725 -30.258 7.402 1.00 12.24 ATOM 1344 NZ LYS 84 -12.106 -31.835 7.293 1.00 30.24 ATOM 1345 HZ1 LYS 84 -11.659 -32.414 8.033 1.00 75.04 ATOM 1346 HZ2 LYS 84 -11.756 -32.149 6.365 1.00 2.43 ATOM 1347 HZ3 LYS 84 -13.135 -31.986 7.328 1.00 32.34 ATOM 1348 C LYS 84 -14.551 -28.714 8.945 1.00 51.53 ATOM 1349 O LYS 84 -13.969 -29.060 9.975 1.00 11.43 ATOM 1350 N ASP 85 -15.563 -29.403 8.424 1.00 20.35 ATOM 1351 HN ASP 85 -16.031 -29.041 7.645 1.00 38.18 ATOM 1352 CA ASP 85 -16.004 -30.684 8.986 1.00 72.45 ATOM 1353 HA ASP 85 -15.548 -30.800 9.961 1.00 22.10 ATOM 1354 CB ASP 85 -17.532 -30.667 9.144 1.00 75.21 ATOM 1355 HB1 ASP 85 -17.989 -30.719 8.165 1.00 38.18 ATOM 1356 HB2 ASP 85 -17.826 -29.739 9.617 1.00 74.42 ATOM 1357 CG ASP 85 -18.058 -31.816 9.987 1.00 53.32 ATOM 1358 OD1 ASP 85 -18.551 -32.806 9.407 1.00 24.33 ATOM 1359 OD2 ASP 85 -17.969 -31.740 11.232 1.00 14.12 ATOM 1360 C ASP 85 -15.538 -31.847 8.081 1.00 14.21 ATOM 1361 O ASP 85 -14.896 -31.613 7.051 1.00 25.24 ATOM 1362 N SER 86 -15.840 -33.086 8.463 1.00 41.34 ATOM 1363 HN SER 86 -16.378 -33.217 9.274 1.00 38.18 ATOM 1364 HA SER 86 -14.328 -34.137 7.509 1.00 75.44 ATOM 1365 CB SER 86 -15.558 -35.536 8.557 1.00 62.01 ATOM 1366 HB1 SER 86 -16.602 -35.652 8.819 1.00 38.18 ATOM 1367 HB2 SER 86 -14.972 -35.447 9.459 1.00 65.00 ATOM 1368 OG SER 86 -15.132 -36.693 7.853 1.00 1.14 ATOM 1369 HG SER 86 -15.870 -37.035 7.333 1.00 72.01 ATOM 1370 CA SER 86 -15.383 -34.271 7.708 1.00 23.20 ATOM 1371 C SER 86 -16.114 -34.437 6.357 1.00 1.21 ATOM 1372 OT1 SER 86 -15.626 -33.893 5.340 1.00 38.18 ATOM 1373 OT2 SER 86 -17.164 -35.122 6.310 1.00 38.18 ATOM 1374 OH2 TIP3 1 -9.303 -30.050 -0.515 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -9.677 -30.763 -1.046 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -10.077 -29.697 -0.012 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -13.883 -29.059 3.079 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -13.183 -29.746 3.011 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -14.517 -29.431 3.731 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.847 -36.245 3.472 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.720 -35.835 2.594 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.951 -36.566 3.713 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -14.576 -35.026 3.139 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -15.037 -34.664 3.936 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -15.188 -34.831 2.403 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.154 -36.535 3.940 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -16.993 -35.914 4.688 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.314 -37.041 3.862 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -11.629 -29.438 0.748 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -12.447 -28.944 0.854 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -11.625 -30.060 1.510 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.560 -35.381 10.214 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -18.567 -34.560 9.673 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -18.804 -35.074 11.105 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -23.890 -33.698 10.153 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -24.143 -34.141 9.316 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -23.020 -33.295 9.954 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -17.823 -40.007 11.430 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -16.904 -40.302 11.271 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -17.969 -39.312 10.749 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -14.807 -40.164 7.346 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -14.598 -41.007 7.806 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -14.633 -39.479 8.022 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -25.117 -36.884 9.667 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -24.416 -37.564 9.694 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -25.134 -36.524 10.567 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -24.431 -35.569 12.247 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -24.194 -34.942 11.531 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -24.242 -35.077 13.067 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -13.902 -41.889 9.262 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -13.020 -41.495 9.369 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -14.413 -41.541 10.024 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -21.398 -33.355 15.030 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -22.295 -33.688 15.228 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -21.209 -33.708 14.134 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -14.770 -33.578 11.501 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.278 -34.182 12.073 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -14.614 -32.793 12.061 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -19.784 -34.695 5.752 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -19.911 -35.110 4.874 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -18.832 -34.864 5.963 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -18.129 -35.641 1.423 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.500 -34.962 1.119 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -17.669 -36.075 2.163 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -13.743 -38.346 9.217 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -14.156 -38.204 10.092 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -14.141 -37.639 8.651 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -15.341 -41.780 13.625 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -16.281 -42.049 13.522 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -15.105 -42.078 14.506 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -24.473 -36.089 5.172 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -23.595 -36.515 5.035 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -24.882 -36.112 4.306 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -21.457 -34.237 12.450 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -20.482 -34.112 12.406 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -21.636 -34.945 11.788 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -22.989 -38.617 10.088 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -23.220 -38.582 11.048 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -22.749 -39.534 9.935 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -20.785 -31.677 18.307 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -21.357 -31.399 17.565 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -20.447 -30.831 18.675 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -10.005 -30.939 4.823 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -9.919 -29.979 4.616 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -9.081 -31.269 4.818 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -19.111 -33.191 16.695 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -19.805 -33.420 16.047 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.559 -32.589 17.318 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -20.469 -27.281 5.430 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -20.246 -28.066 5.978 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -19.848 -27.329 4.690 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -16.045 -25.687 0.076 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -15.949 -26.312 -0.646 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -16.078 -26.254 0.880 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -12.458 -36.356 4.455 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -13.294 -36.095 4.018 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -12.656 -37.228 4.849 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.832 -37.698 6.999 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -17.602 -38.235 6.217 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -17.773 -36.767 6.681 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.767 -37.880 9.746 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -18.104 -36.970 9.945 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.850 -37.952 8.768 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.227 -37.551 12.905 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.052 -38.486 12.693 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -19.053 -37.355 12.447 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.661 -36.157 10.443 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -21.436 -35.751 9.581 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -22.079 -37.005 10.205 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -21.498 -34.897 7.921 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -20.994 -34.900 7.079 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -22.435 -35.009 7.644 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -15.456 -37.664 11.356 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -16.283 -37.709 10.829 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -15.600 -36.913 11.959 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -15.005 -38.301 4.026 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -15.686 -38.925 4.352 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.196 -38.561 4.506 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.786 -33.955 12.539 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -18.530 -33.146 12.026 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -17.932 -34.341 12.815 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -12.866 -38.839 5.755 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -13.473 -39.423 6.250 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -12.114 -39.427 5.508 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -16.782 -32.385 3.431 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.687 -32.060 3.670 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -16.518 -32.953 4.198 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -16.488 -31.942 13.521 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.627 -31.535 13.284 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.013 -31.893 12.687 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -10.003 -37.816 2.199 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -10.933 -38.123 2.096 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -9.628 -38.422 2.861 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -16.682 -33.850 15.506 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -16.595 -33.118 14.856 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -17.518 -33.648 15.984 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.350 -32.669 9.472 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -20.398 -32.627 9.705 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -21.408 -33.436 8.859 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -24.239 -35.162 7.743 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -24.698 -35.834 8.297 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -24.458 -35.423 6.820 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.781 -29.731 13.120 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -18.978 -29.033 12.455 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.563 -30.519 12.576 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -24.387 -28.667 8.594 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -25.177 -28.096 8.570 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -23.884 -28.411 7.785 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -12.899 -33.226 5.229 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -13.854 -33.459 5.282 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -12.623 -33.553 4.353 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -16.546 -27.641 19.874 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.971 -27.238 20.660 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -16.770 -28.599 19.945 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -10.084 -28.291 4.059 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -9.312 -27.931 3.563 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -10.791 -27.646 3.900 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.333 -32.197 6.791 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.615 -33.053 6.398 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -19.032 -32.440 7.696 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -16.766 -39.859 5.475 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -17.190 -40.711 5.339 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -16.109 -40.026 6.190 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -19.010 -31.186 4.261 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -19.141 -30.227 4.278 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -19.241 -31.480 5.166 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -22.054 -37.228 4.736 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -21.340 -36.862 4.166 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -21.584 -37.640 5.466 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.815 -29.983 8.738 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -22.752 -29.737 8.837 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -21.776 -30.911 9.044 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -16.076 -27.622 2.001 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -16.814 -27.943 2.555 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.301 -28.119 2.324 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.047 -29.701 15.321 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -16.629 -30.577 15.320 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -17.625 -29.716 14.526 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -11.958 -31.069 2.913 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.080 -32.029 2.738 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -11.279 -31.042 3.626 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -16.168 -33.703 1.182 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -16.048 -33.057 0.481 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -16.437 -33.164 1.966 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -16.492 -35.434 13.226 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -16.440 -35.094 14.145 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -17.110 -36.201 13.287 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -12.208 -33.817 2.572 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -11.566 -34.539 2.538 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -13.079 -34.272 2.592 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -23.798 -38.206 12.621 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -23.986 -37.248 12.497 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -24.117 -38.396 13.506 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -14.739 -35.003 17.102 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -15.071 -34.729 17.984 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -15.383 -34.614 16.476 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -12.250 -31.177 14.811 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -11.958 -30.722 15.607 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -11.936 -32.102 14.937 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -12.551 -38.865 2.119 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -12.735 -39.751 2.492 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -13.380 -38.384 2.237 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -13.024 -41.186 3.543 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -12.208 -40.978 4.051 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -13.118 -42.137 3.628 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -11.714 -40.173 8.984 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -10.972 -39.573 8.790 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -12.467 -39.565 9.171 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.068 -40.440 11.307 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.020 -40.905 12.179 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.004 -39.492 11.537 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -21.603 -30.742 15.812 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -21.345 -31.607 15.419 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -20.999 -30.102 15.403 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -18.330 -27.908 16.992 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -17.757 -28.597 16.599 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -19.105 -27.880 16.398 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.683 -27.340 15.726 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.173 -28.176 15.574 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -14.845 -27.473 15.270 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -23.926 -30.280 14.378 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -23.211 -30.493 15.008 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -23.815 -30.933 13.658 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -19.465 -27.698 11.450 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -18.994 -27.700 10.591 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -20.396 -27.511 11.202 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -23.511 -32.376 12.581 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -22.648 -32.843 12.515 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -23.937 -32.548 11.717 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -24.152 -33.935 14.707 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -24.895 -33.623 15.233 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -24.050 -33.257 14.004 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -17.808 -28.530 4.033 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -17.529 -27.734 4.546 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -17.177 -29.220 4.308 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.220 -31.270 25.528 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.694 -31.317 24.703 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.081 -30.367 25.842 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -16.961 -32.630 21.382 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -17.848 -32.940 21.088 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -16.977 -32.746 22.363 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -14.685 -34.133 31.011 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -15.501 -33.852 30.584 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -14.573 -35.066 30.725 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -17.019 -32.735 24.084 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -17.881 -32.617 24.539 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -16.369 -32.340 24.700 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -14.632 -36.754 30.100 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -15.357 -37.146 29.604 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -14.025 -37.486 30.254 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -17.839 -30.738 30.447 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -18.642 -31.104 30.883 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -18.105 -30.620 29.518 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.297 -31.971 25.358 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -19.331 -30.994 25.272 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -20.213 -32.230 25.479 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -10.014 -31.248 32.586 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -10.426 -31.539 31.744 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -10.774 -30.951 33.130 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -19.191 -29.246 25.244 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -18.421 -29.072 24.656 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -19.836 -28.545 25.008 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -18.801 -24.656 19.234 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -19.693 -25.061 19.266 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.809 -24.004 19.966 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -17.025 -28.876 23.591 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -16.145 -28.703 24.004 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -16.866 -29.632 23.006 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -11.112 -27.487 33.990 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -10.361 -27.821 33.448 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -10.687 -26.899 34.649 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -14.323 -32.287 33.078 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -14.443 -33.103 32.550 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -14.211 -31.592 32.412 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -12.325 -27.705 26.056 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -11.615 -27.230 25.619 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -11.981 -27.862 26.971 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -20.403 -29.425 33.319 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -20.085 -28.779 32.646 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -20.259 -28.980 34.157 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.165 -28.947 36.881 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.363 -29.799 36.439 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -14.012 -28.667 37.241 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.874 -34.377 19.541 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -16.139 -35.166 20.020 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -16.123 -33.639 20.136 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -13.407 -30.119 31.416 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -12.953 -30.127 32.288 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -12.803 -30.629 30.831 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.008 -30.996 23.026 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -13.048 -31.138 22.821 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.472 -31.459 22.315 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -19.167 -33.284 19.927 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -19.933 -32.786 19.580 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -18.821 -33.749 19.154 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -17.453 -30.158 20.229 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -18.395 -30.151 19.990 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -17.289 -31.070 20.546 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -12.061 -35.586 17.156 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -11.839 -34.960 17.871 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -13.046 -35.561 17.113 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -19.847 -29.204 18.890 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -19.096 -28.716 18.498 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -20.634 -28.731 18.553 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -9.133 -28.633 32.443 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -9.151 -28.358 31.488 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -9.341 -29.589 32.419 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -11.432 -31.335 22.307 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -11.004 -32.028 21.758 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -10.693 -30.738 22.550 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -9.969 -30.546 28.356 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -9.357 -30.558 27.593 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -10.286 -29.611 28.398 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -13.896 -31.258 35.558 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.050 -31.997 36.157 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.166 -31.608 34.671 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -15.969 -28.918 31.072 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.622 -29.655 30.989 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -15.106 -29.371 31.127 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -18.121 -30.010 27.680 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -18.624 -29.675 26.906 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -17.602 -30.745 27.322 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.724 -27.745 29.235 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -17.920 -28.492 28.627 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -16.991 -28.081 29.794 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -20.175 -31.528 31.606 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -20.269 -30.790 32.253 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -20.833 -32.167 31.882 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -20.428 -26.270 22.058 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -20.795 -26.090 21.169 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -19.471 -26.402 21.899 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.483 -28.631 24.576 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -13.737 -28.253 25.099 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -14.054 -29.274 23.978 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -12.156 -30.037 33.812 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -12.692 -30.428 34.533 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -11.902 -29.154 34.153 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -8.539 -28.146 37.965 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -8.111 -27.282 37.794 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -9.483 -27.923 38.087 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.786 -14.204 -6.689 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.151 -13.502 -6.107 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.056 -13.774 -7.151 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -17.971 -11.027 -7.432 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -18.774 -11.589 -7.465 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -17.395 -11.473 -6.773 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -18.409 -14.627 -7.483 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -17.488 -14.719 -7.161 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -18.305 -14.438 -8.444 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -9.448 -19.801 -0.149 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -9.476 -20.660 -0.628 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -9.100 -19.170 -0.819 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -18.074 -13.434 -9.900 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -17.840 -12.499 -9.856 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -18.302 -13.580 -10.824 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -8.222 -18.269 -2.005 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -8.362 -18.790 -2.826 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -7.954 -17.393 -2.324 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -13.872 -18.557 -4.681 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -13.720 -18.734 -5.615 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -14.360 -17.699 -4.675 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -18.620 -9.490 -4.607 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -18.196 -9.907 -5.373 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -18.989 -10.241 -4.104 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -19.788 -13.457 -1.057 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -20.078 -14.386 -0.938 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -20.576 -12.935 -0.854 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -15.503 -19.542 -2.642 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -15.274 -20.478 -2.461 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -15.029 -19.336 -3.472 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -15.916 -14.523 -1.227 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -16.697 -14.860 -0.750 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -16.152 -14.626 -2.168 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -19.641 -14.284 -5.082 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -19.188 -14.510 -5.925 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -20.591 -14.311 -5.311 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.196 -16.189 -4.878 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -15.342 -15.628 -5.668 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.985 -16.016 -4.320 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -20.278 -12.569 -7.613 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -21.072 -12.912 -7.162 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -19.689 -13.347 -7.681 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -16.830 -12.122 -5.203 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -17.587 -12.253 -4.593 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -16.054 -12.047 -4.603 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -17.381 -15.080 -3.595 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -18.200 -14.881 -4.091 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -17.680 -15.683 -2.869 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -20.676 -21.341 0.027 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -20.109 -22.070 0.351 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -21.511 -21.767 -0.180 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -17.293 -18.998 -0.544 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.749 -19.255 -1.320 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -17.011 -19.615 0.161 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -13.688 -18.145 -1.098 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -13.827 -18.730 -0.323 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.433 -18.365 -1.692 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -14.703 -12.215 -3.533 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -14.280 -11.899 -2.708 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.298 -13.107 -3.677 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -11.911 -19.360 -2.815 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -12.412 -19.071 -3.600 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -12.335 -18.881 -2.075 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -7.904 -27.563 2.596 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -7.188 -28.229 2.558 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -7.878 -27.134 1.722 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -11.957 -21.989 -2.046 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -12.915 -22.157 -1.936 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -11.912 -21.059 -2.363 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -13.364 -10.628 -5.320 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -13.864 -11.264 -4.766 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -12.966 -11.187 -6.031 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -22.193 -14.108 -6.244 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -22.487 -14.883 -6.741 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -23.010 -13.716 -5.908 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -17.041 -7.113 -4.750 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -17.616 -7.883 -4.564 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -16.199 -7.512 -5.061 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.011 -4.447 -4.674 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.759 -3.816 -4.759 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -16.441 -5.320 -4.619 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -20.189 -10.108 -8.941 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.295 -10.054 -8.568 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.525 -10.968 -8.625 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -18.858 -21.946 3.287 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -19.230 -21.033 3.365 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -19.071 -22.365 4.147 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -13.897 -18.544 8.622 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -13.006 -18.340 8.250 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -13.726 -19.238 9.291 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -21.185 -16.823 12.087 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -21.275 -16.135 12.780 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -20.446 -17.382 12.407 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -25.988 -26.286 8.437 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -26.502 -25.887 7.729 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -25.093 -25.883 8.339 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -21.742 -17.738 7.074 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -22.241 -18.537 6.876 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -21.864 -17.612 8.035 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -25.965 -26.542 15.576 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -25.311 -26.940 14.968 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -26.448 -25.902 15.017 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.837 -17.205 6.708 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.856 -17.171 6.651 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.053 -16.589 7.416 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -20.765 -15.204 14.312 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -19.807 -15.375 14.397 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -20.974 -14.648 15.066 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -25.969 -25.974 11.289 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -25.171 -26.538 11.344 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -26.235 -26.035 10.355 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -13.894 -14.321 11.678 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -14.072 -13.634 10.990 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.019 -15.156 11.210 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -18.958 -27.388 8.750 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -18.167 -26.943 8.397 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -19.137 -28.109 8.111 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.003 -13.838 4.301 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -14.129 -13.913 4.723 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.624 -13.861 5.039 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.091 -16.988 6.795 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.605 -17.344 6.033 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -14.723 -17.491 7.564 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -19.218 -23.448 1.101 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -19.333 -24.336 1.461 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -19.087 -22.879 1.900 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -13.289 -19.125 5.320 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -13.581 -19.823 5.915 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -12.655 -18.586 5.871 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -19.965 -17.184 4.969 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -19.134 -17.235 5.491 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.672 -17.333 5.635 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -22.528 -17.388 9.799 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -22.902 -16.515 9.640 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -21.964 -17.262 10.604 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -16.829 -20.984 1.474 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.793 -21.796 0.926 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -17.457 -21.208 2.192 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -12.584 -26.664 3.553 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -12.796 -26.199 2.737 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -13.063 -27.517 3.474 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -11.091 -14.162 3.647 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -10.630 -14.999 3.433 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -10.674 -13.498 3.066 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -15.379 -13.356 1.661 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -16.271 -13.682 1.397 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -15.325 -13.561 2.627 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -23.838 -27.653 11.079 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -22.978 -27.242 10.859 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -24.071 -28.160 10.270 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -14.040 -31.098 12.694 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -13.360 -31.080 13.411 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -13.670 -30.532 12.000 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -11.671 -20.800 1.285 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -10.984 -20.314 0.778 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -11.557 -21.719 1.012 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -24.200 -19.401 10.858 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -23.562 -18.795 10.428 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -24.958 -18.845 11.056 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -23.174 -27.502 6.469 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -23.299 -26.602 6.817 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -22.336 -27.455 5.979 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.811 -23.115 -0.257 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -17.761 -23.227 -0.056 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -16.435 -24.020 -0.145 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.277 -22.763 21.249 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -20.173 -22.716 20.837 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -19.012 -21.826 21.346 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -26.791 -24.754 13.645 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -26.731 -25.264 12.806 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -25.950 -24.248 13.672 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -21.529 -24.786 6.176 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -20.823 -24.144 5.958 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -21.170 -25.645 5.876 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.922 -13.389 19.411 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.226 -13.941 20.154 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -16.564 -12.585 19.843 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -23.573 -25.110 7.976 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -23.310 -24.706 8.830 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -22.891 -24.794 7.340 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -14.315 -20.156 0.612 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -13.520 -20.394 1.127 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.065 -20.361 1.211 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -17.836 -15.171 17.373 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -17.652 -14.396 17.935 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -17.734 -15.934 17.982 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -12.297 -18.630 2.827 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -12.727 -18.859 3.685 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -12.076 -19.496 2.429 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.748 -19.381 3.261 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.844 -19.042 2.350 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -19.895 -18.598 3.826 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -23.300 -21.788 11.880 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -22.565 -21.341 12.313 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -23.799 -21.058 11.444 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -13.250 -13.926 15.792 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -12.358 -13.711 16.113 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -13.772 -14.089 16.616 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -12.574 -14.423 5.818 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -12.044 -14.211 5.006 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -12.371 -15.362 5.990 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -19.911 -15.445 2.774 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -19.823 -16.161 3.445 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -20.521 -14.819 3.180 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -19.108 -17.942 13.518 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -19.238 -18.493 14.294 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -18.648 -17.148 13.862 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.035 -16.492 -1.433 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.815 -16.326 -0.869 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -17.753 -17.401 -1.189 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -13.409 -12.256 13.625 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -13.433 -12.867 14.396 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -13.711 -12.808 12.877 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -7.702 -12.769 1.874 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -7.251 -11.900 1.949 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -8.635 -12.568 2.067 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -10.394 -16.813 3.432 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -10.989 -17.590 3.348 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -10.206 -16.763 4.405 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -20.231 -16.023 0.123 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -20.212 -15.802 1.079 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -20.329 -17.002 0.111 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -14.458 -25.261 5.356 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -13.629 -25.511 4.918 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -14.189 -24.603 6.029 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.227 -23.351 5.650 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.429 -23.883 5.765 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.128 -22.622 6.308 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -17.889 -23.728 12.907 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -18.423 -22.976 12.629 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -16.968 -23.430 12.772 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -16.878 -26.471 5.459 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -16.890 -26.347 6.426 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.046 -26.029 5.175 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -14.441 -12.528 9.691 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -14.615 -11.619 9.372 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -14.581 -13.091 8.900 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -24.040 -27.591 13.844 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -24.143 -27.632 12.868 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -24.047 -28.535 14.123 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.007 -12.183 -3.484 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.342 -12.893 -4.078 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.241 -12.498 -2.587 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -14.628 -14.233 18.089 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.458 -13.839 18.419 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -14.501 -15.021 18.648 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -19.857 -18.753 0.513 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -18.931 -18.847 0.207 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -20.268 -19.624 0.301 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -18.062 -15.680 14.722 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -18.010 -15.537 15.701 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -17.271 -15.249 14.380 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -24.337 -23.606 13.687 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -24.124 -22.895 13.049 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -23.710 -24.328 13.458 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -16.272 -19.355 19.943 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -15.825 -18.962 20.718 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -15.523 -19.723 19.400 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -27.492 -23.104 15.782 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -28.408 -22.822 15.728 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -27.388 -23.729 15.035 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -22.718 -24.271 10.491 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -22.942 -23.372 10.802 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -22.712 -24.809 11.310 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -22.508 -25.512 13.041 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -21.561 -25.659 13.228 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -22.967 -26.225 13.545 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -24.773 -23.126 16.366 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -24.583 -23.293 15.418 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -25.745 -22.996 16.393 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -19.689 -25.872 13.467 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -19.045 -25.135 13.393 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -19.483 -26.446 12.697 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -20.181 -28.222 14.943 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.741 -28.822 14.300 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -20.119 -27.339 14.522 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -21.295 -25.883 19.410 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -21.275 -26.632 18.781 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -22.124 -25.411 19.185 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -10.587 -13.246 14.774 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -10.900 -14.028 14.274 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -10.613 -12.527 14.127 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -12.126 -15.212 13.638 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -12.690 -14.988 12.874 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.678 -14.996 14.414 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -7.773 -17.374 1.068 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -8.278 -17.977 0.505 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -7.717 -17.843 1.929 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -14.683 -21.893 -1.465 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.515 -21.277 -0.722 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -15.467 -22.411 -1.172 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -14.667 -14.361 7.598 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -13.864 -14.233 7.056 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -14.932 -15.285 7.414 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -11.310 -8.827 10.971 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -12.264 -8.743 11.173 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -11.232 -8.490 10.055 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -21.474 -26.707 9.945 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -21.775 -25.802 9.748 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.748 -26.864 9.309 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -15.669 -30.295 4.787 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -15.356 -30.774 5.582 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -16.039 -31.006 4.215 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -19.821 -29.439 7.015 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.612 -29.502 7.610 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -19.551 -30.374 6.889 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.887 -14.186 0.928 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -18.541 -13.942 0.246 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -18.403 -14.693 1.582 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -10.938 -12.285 6.948 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -10.178 -12.883 6.774 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -11.716 -12.821 6.724 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -21.677 -27.722 17.364 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -22.587 -27.418 17.220 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -21.365 -27.973 16.474 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -11.128 -10.782 13.211 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -11.225 -10.221 12.420 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -11.974 -11.280 13.257 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -18.386 -18.171 27.149 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.553 -18.683 27.217 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -19.046 -18.728 27.627 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -19.935 -19.973 28.529 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -19.586 -20.884 28.603 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -20.494 -19.873 29.303 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -14.790 -26.428 29.588 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -15.378 -26.249 30.349 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -14.054 -26.925 29.972 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -19.271 -17.842 24.573 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -20.200 -17.799 24.826 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -18.793 -17.883 25.430 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -14.550 -14.947 27.724 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -15.521 -15.129 27.783 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -14.463 -14.010 28.006 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -20.306 -24.206 32.015 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -21.144 -24.626 31.793 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -19.710 -24.449 31.273 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.643 -11.527 21.097 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.598 -12.060 21.922 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.782 -10.624 21.405 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -12.615 -17.258 32.102 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -13.207 -18.049 32.100 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -12.756 -16.854 31.223 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.053 -21.274 24.515 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -17.293 -21.156 23.908 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.624 -20.514 24.329 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.421 -20.121 21.395 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -17.835 -19.971 20.621 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.728 -19.224 21.634 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -13.130 -22.563 34.120 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.046 -22.684 34.422 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -13.154 -22.829 33.176 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -14.636 -17.488 26.481 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.607 -16.676 27.022 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -14.318 -17.206 25.616 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -16.835 -15.084 21.756 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -16.085 -15.497 21.296 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -16.421 -14.404 22.327 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -10.102 -18.084 32.695 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -10.284 -18.945 32.277 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -10.956 -17.599 32.616 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -13.432 -14.937 21.813 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -13.017 -15.591 22.403 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -13.755 -15.471 21.050 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -15.173 -13.275 23.119 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -14.456 -13.819 22.728 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -14.840 -13.047 24.015 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.484 -26.285 31.731 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.346 -27.260 31.741 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.006 -25.967 32.527 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -14.648 -22.341 20.516 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -15.287 -21.932 21.115 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -14.342 -21.592 19.940 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -14.593 -22.770 23.768 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -14.024 -22.977 23.015 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -15.163 -22.040 23.442 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -23.628 -24.980 18.132 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -24.308 -25.668 18.321 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -24.105 -24.323 17.580 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.754 -20.718 30.945 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.981 -21.392 30.272 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -18.217 -21.026 31.755 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -18.468 -25.186 30.168 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.696 -25.330 30.759 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.437 -25.948 29.553 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -22.130 -22.747 17.223 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -22.995 -22.476 16.863 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -22.224 -23.702 17.361 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.252 -21.899 27.035 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.556 -21.703 26.125 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -16.725 -21.110 27.284 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -19.122 -21.803 32.991 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -18.735 -22.383 33.670 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -19.757 -22.377 32.527 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -16.103 -20.849 22.631 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -16.929 -20.640 22.141 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.555 -20.035 22.537 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.954 -15.678 29.884 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.073 -15.265 29.779 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.405 -15.508 29.031 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -18.486 -17.320 21.976 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -17.974 -16.486 22.020 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -18.775 -17.473 22.904 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -16.019 -19.533 27.604 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -15.397 -18.897 27.181 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -16.013 -19.276 28.555 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -16.289 -18.645 30.129 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.862 -19.393 30.439 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -16.730 -17.857 30.461 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -14.685 -18.596 22.123 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.044 -18.628 21.362 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -14.267 -18.004 22.759 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -10.553 -9.964 16.779 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -11.425 -10.095 16.361 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -10.704 -10.193 17.722 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.644 -25.599 33.664 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.275 -25.770 34.537 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.105 -26.166 33.060 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.691 -26.645 22.170 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -17.521 -27.458 22.699 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.413 -25.923 22.749 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -18.296 -23.993 24.014 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -18.243 -23.062 24.323 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -18.733 -23.926 23.144 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -18.462 -24.208 34.198 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -19.188 -24.413 33.580 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -18.753 -24.610 35.054 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -18.893 -25.885 25.963 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -19.642 -26.450 25.692 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -18.881 -25.173 25.295 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -25.636 -26.794 18.240 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -26.455 -27.173 18.564 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -25.774 -26.720 17.264 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -14.104 -12.062 31.054 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.683 -11.475 31.552 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -14.179 -12.925 31.519 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.748 -16.332 19.872 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.601 -16.642 19.503 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.138 -17.113 19.763 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -17.418 -17.017 19.340 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -18.006 -16.976 20.118 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -17.122 -17.954 19.317 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -17.182 -15.684 27.619 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -17.988 -15.172 27.512 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -17.474 -16.613 27.505 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -21.647 -22.520 19.937 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -22.536 -22.808 20.164 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -21.664 -22.439 18.960 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -15.917 -23.196 33.974 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.431 -24.015 33.742 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -16.835 -23.506 34.139 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -19.428 -23.571 38.730 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -20.230 -23.093 38.950 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -18.705 -22.983 39.042 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.322 -19.291 31.945 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -14.887 -19.269 31.147 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.910 -19.647 32.642 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -19.394 -27.651 31.549 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -18.944 -27.939 30.735 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -19.102 -26.740 31.669 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -19.313 -25.265 36.548 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -19.356 -24.622 37.288 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -19.329 -26.136 36.990 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -19.378 -27.506 38.162 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -19.050 -27.117 38.980 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -19.981 -28.197 38.450 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -11.677 -10.699 27.779 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -11.452 -9.766 27.883 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -11.017 -11.168 28.340 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -10.440 -14.297 30.327 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -10.185 -13.525 29.785 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -10.736 -13.905 31.173 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -10.969 -15.412 37.147 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -10.739 -14.578 36.723 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -10.305 -16.049 36.798 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.840 -14.513 32.225 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -13.822 -15.229 32.877 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.624 -14.960 31.376 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -9.805 -25.797 35.773 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -9.006 -25.791 36.351 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -9.571 -25.193 35.042 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -14.012 -12.948 25.608 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.155 -12.508 26.472 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -13.947 -13.888 25.833 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -18.772 -22.551 29.138 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -18.205 -22.479 28.332 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -18.701 -23.490 29.396 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -20.920 -27.192 24.567 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -21.880 -27.162 24.638 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -20.735 -26.858 23.651 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -10.683 -11.057 22.413 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -10.974 -10.947 23.343 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -11.414 -11.553 21.993 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -13.297 -27.423 32.244 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -13.328 -28.298 31.816 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -12.487 -27.454 32.797 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -11.609 -12.925 32.435 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -12.373 -13.518 32.584 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -11.983 -12.179 31.940 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -14.837 -17.735 42.341 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -14.804 -17.346 43.218 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.442 -18.630 42.460 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -12.583 -21.828 39.636 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -12.070 -21.360 40.330 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -11.902 -22.203 39.049 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -11.861 -25.771 40.040 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -11.025 -25.682 40.525 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -11.658 -26.405 39.323 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.003 -17.460 38.622 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -11.718 -16.594 38.239 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -12.792 -17.241 39.152 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -15.794 -20.444 33.883 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -16.736 -20.242 33.799 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -15.754 -21.429 33.814 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -17.726 -21.608 39.790 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -18.034 -21.020 40.483 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -16.772 -21.405 39.713 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -15.065 -20.659 40.106 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -14.313 -21.144 39.706 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -14.784 -20.512 41.032 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -5.327 -21.650 37.518 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -4.486 -22.123 37.374 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -5.986 -22.362 37.635 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -15.986 -17.539 37.239 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -16.814 -17.084 37.403 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -15.573 -17.618 38.125 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -14.651 -17.904 39.625 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -14.760 -17.606 40.559 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -14.790 -18.873 39.671 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -10.384 -23.431 38.727 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -10.839 -24.216 38.392 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -10.288 -23.604 39.693 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -10.218 -23.886 41.396 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -9.656 -23.319 41.965 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -11.122 -23.743 41.736 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -13.722 -20.209 42.526 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -13.922 -20.978 43.109 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -12.765 -20.306 42.325 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -14.075 -22.587 43.774 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -13.705 -23.100 43.021 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -14.489 -23.250 44.330 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.055 -23.794 41.544 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -13.128 -23.102 40.856 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -12.871 -24.614 41.037 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -11.161 -27.251 37.785 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -10.858 -26.777 36.985 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -11.825 -27.895 37.446 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -15.177 2.460 -14.331 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -15.386 2.609 -15.259 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -15.844 2.963 -13.851 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -15.186 1.144 -8.869 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -15.348 0.222 -8.574 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -14.214 1.193 -8.982 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -12.437 1.220 -9.218 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -12.166 2.166 -9.266 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -12.241 0.869 -10.115 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -19.631 12.720 -5.442 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.666 12.713 -5.300 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -19.779 12.017 -6.089 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -19.124 -2.223 -8.150 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -19.012 -1.738 -8.992 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -18.295 -2.729 -8.055 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -16.348 -5.513 -10.140 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -17.037 -6.181 -9.935 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -16.795 -4.888 -10.764 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -20.865 -3.435 -6.481 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -21.103 -4.273 -6.923 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -20.301 -2.964 -7.142 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -15.497 5.865 -6.910 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -16.108 6.053 -7.646 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -14.610 5.845 -7.327 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -21.067 -7.587 -9.387 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -20.840 -8.535 -9.220 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -21.674 -7.619 -10.135 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -14.339 0.251 -12.964 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -13.415 0.452 -12.741 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -14.606 0.983 -13.565 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -18.320 10.319 -6.579 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -17.745 10.442 -7.368 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -17.896 10.872 -5.892 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -21.704 3.840 -2.903 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -21.116 4.614 -2.835 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -21.105 3.084 -2.858 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -20.156 4.051 -0.222 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -20.212 4.179 0.748 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -19.372 3.474 -0.342 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -21.557 -6.082 -7.128 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -21.396 -6.537 -7.984 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -21.253 -6.734 -6.451 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -18.573 -1.117 -10.653 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -19.345 -0.700 -11.047 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -17.830 -0.505 -10.873 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -16.930 -3.866 -7.999 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -17.429 -4.455 -7.392 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -16.729 -4.435 -8.772 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -18.480 -5.725 -6.622 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -19.323 -5.505 -6.196 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -17.985 -6.220 -5.933 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -16.692 -0.532 -5.771 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -16.485 0.417 -5.880 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -16.353 -0.942 -6.592 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -23.528 -5.353 -5.331 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -22.796 -5.528 -5.967 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -24.263 -5.878 -5.668 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -17.575 2.312 -3.731 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -18.302 2.106 -3.112 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -17.639 1.621 -4.406 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -16.488 -3.457 -17.882 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -16.780 -4.249 -18.343 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -16.859 -2.732 -18.396 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -21.048 -1.578 -3.003 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -21.735 -1.881 -3.628 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -20.646 -2.408 -2.673 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -15.582 -1.502 -8.159 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -16.130 -2.319 -8.192 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -14.837 -1.687 -8.767 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -22.758 4.190 1.684 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -23.586 4.337 2.193 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -23.059 4.115 0.759 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -16.135 2.113 -6.443 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -15.758 1.874 -7.318 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -16.877 2.722 -6.662 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -15.027 -2.449 -12.884 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -15.089 -2.754 -13.823 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -14.856 -1.487 -12.958 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -18.336 -7.063 -9.010 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -18.458 -6.547 -8.181 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -19.247 -7.204 -9.336 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -12.768 5.491 -7.445 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -12.492 4.882 -8.159 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -11.962 5.615 -6.916 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -23.654 3.729 -0.943 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -22.988 4.003 -1.612 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -23.842 2.797 -1.166 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -19.971 0.927 -2.430 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -20.306 0.068 -2.777 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -20.497 1.076 -1.616 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -22.698 -5.372 -2.664 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -23.402 -4.985 -2.108 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -23.074 -5.365 -3.569 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -25.193 -2.635 -3.260 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -25.914 -2.717 -3.893 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -24.393 -2.530 -3.819 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -22.856 -2.769 -4.761 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -23.175 -3.686 -4.895 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -22.109 -2.688 -5.398 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -24.323 -3.703 -0.927 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -24.676 -3.227 -1.714 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -25.083 -3.781 -0.338 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -20.801 -7.779 -5.152 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -20.019 -8.350 -5.037 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -21.290 -7.875 -4.309 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -20.089 -9.717 -1.496 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -20.721 -9.206 -2.041 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -20.034 -9.207 -0.656 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -21.935 -7.998 -2.594 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -22.122 -7.037 -2.610 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -22.445 -8.322 -1.816 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -9.544 7.671 -7.992 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -10.258 8.224 -7.618 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -9.044 8.288 -8.559 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -11.923 -0.237 -11.517 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.426 -0.985 -11.866 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.159 -0.652 -11.066 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -10.670 4.367 -11.841 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -11.254 4.777 -12.488 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -9.873 4.155 -12.339 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -16.543 0.573 -11.269 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -15.796 0.467 -11.891 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -16.128 0.908 -10.451 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -14.034 -4.148 -10.848 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -14.783 -4.750 -10.650 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -14.371 -3.581 -11.575 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -17.265 -3.425 -11.545 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -17.810 -2.659 -11.278 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -16.566 -3.038 -12.109 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -18.081 3.961 -6.780 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -19.030 3.794 -6.785 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -17.975 4.763 -7.336 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -19.008 7.749 -6.163 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -19.957 7.816 -5.999 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -18.719 8.689 -6.286 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -17.881 6.335 -8.219 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -18.038 6.878 -9.002 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -18.284 6.850 -7.484 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -18.049 -2.667 -4.723 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -18.942 -2.659 -5.098 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -17.627 -1.857 -5.089 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -14.740 -8.295 -5.773 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -14.214 -9.119 -5.675 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -15.311 -8.468 -6.561 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -11.350 -8.847 -5.179 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.597 -8.367 -5.988 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -12.025 -9.556 -5.112 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -16.509 -8.727 -7.775 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -17.022 -9.561 -7.756 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -17.055 -8.122 -8.320 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -17.496 -1.160 3.603 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -16.614 -1.496 3.869 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -17.442 -0.204 3.752 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -11.445 -7.612 8.424 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -11.008 -6.797 8.075 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -11.091 -8.336 7.854 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -16.418 -6.799 6.443 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -16.861 -6.772 7.296 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -15.529 -7.164 6.646 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -14.732 -4.990 9.997 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -14.750 -4.049 9.797 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -13.789 -5.175 10.204 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -16.476 2.151 1.561 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -15.704 2.537 2.021 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -17.144 2.024 2.270 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.010 -8.750 11.361 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -14.783 -8.227 11.057 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -14.072 -9.577 10.852 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -14.012 3.050 2.552 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -13.392 2.783 1.842 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -13.821 4.001 2.689 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -19.745 -2.584 3.051 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -20.211 -1.904 2.517 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -18.940 -2.125 3.371 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -16.599 -3.998 2.385 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -16.801 -4.729 3.011 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -16.055 -3.377 2.915 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -10.404 -12.001 2.101 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -11.384 -11.883 2.168 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -10.199 -11.769 1.172 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -10.854 4.896 0.360 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -10.495 4.754 -0.552 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -10.835 5.871 0.469 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -17.487 7.567 -1.744 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -17.417 7.483 -2.710 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -17.206 8.493 -1.561 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -20.725 8.732 2.961 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -20.701 8.496 2.026 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -21.528 9.254 3.056 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -20.392 -4.062 -1.966 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -19.714 -4.715 -1.746 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -21.127 -4.598 -2.344 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -20.894 -4.790 2.086 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -21.378 -4.271 1.409 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -20.511 -4.101 2.682 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -13.055 -3.912 5.292 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -13.042 -4.846 4.994 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -12.797 -3.959 6.222 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -23.199 -8.459 -0.226 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -22.797 -7.985 0.532 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -23.947 -8.924 0.156 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -21.874 -3.133 0.129 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -22.784 -3.329 -0.187 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -21.302 -3.363 -0.635 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -23.730 1.083 -1.735 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -23.406 0.974 -2.640 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -24.459 0.453 -1.666 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -20.887 -0.845 1.303 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -21.380 -1.558 0.844 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -21.167 -0.025 0.843 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -12.668 -0.325 1.941 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -12.384 -1.175 2.346 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -13.399 -0.022 2.514 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -17.906 2.651 -0.653 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -17.364 2.506 0.162 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -17.509 3.451 -1.064 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -14.355 4.897 -0.016 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -13.597 4.294 -0.001 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -14.009 5.726 0.356 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -10.384 8.877 -2.005 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -9.443 9.124 -1.884 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -10.401 8.417 -2.872 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -14.419 0.643 3.808 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -14.335 1.513 3.352 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -14.532 0.876 4.735 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -20.193 4.009 2.564 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -21.159 3.992 2.359 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -20.088 4.799 3.141 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -25.310 4.546 2.641 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -25.654 4.674 1.729 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -26.096 4.542 3.191 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -19.823 -8.051 0.636 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -19.317 -7.214 0.676 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -20.613 -7.880 1.187 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -18.710 1.737 3.089 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -19.444 1.113 3.043 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -19.140 2.619 2.987 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -18.557 -5.560 0.913 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -17.853 -5.070 1.373 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -19.385 -5.238 1.332 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -22.115 -7.232 2.060 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -22.432 -7.318 2.966 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -21.721 -6.329 2.029 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -16.059 -7.379 10.186 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -15.615 -6.504 10.074 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -16.870 -7.172 10.662 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -16.661 4.902 -1.539 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -15.912 4.879 -0.898 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -17.022 5.810 -1.453 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -25.965 4.821 0.010 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -26.325 5.302 -0.738 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -25.135 4.427 -0.333 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -21.515 1.376 -0.202 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -21.444 2.318 0.046 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -22.396 1.306 -0.632 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -12.098 2.467 0.579 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -11.608 3.292 0.373 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -11.457 1.928 1.078 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -9.396 -1.048 4.872 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -9.550 -0.261 5.412 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -8.805 -0.743 4.170 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -14.991 -2.246 3.981 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -14.518 -1.399 3.893 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -14.350 -2.832 4.440 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -14.813 -6.885 2.537 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -14.677 -6.172 1.900 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -15.689 -6.686 2.939 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -12.216 -7.529 15.178 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -12.600 -8.405 15.399 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -12.624 -7.300 14.310 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -17.105 -6.232 3.869 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -18.016 -6.550 3.852 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -16.817 -6.381 4.804 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -13.130 -10.187 15.628 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -13.767 -10.561 16.249 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -13.199 -10.764 14.840 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -14.043 -9.438 3.523 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -14.345 -8.630 3.065 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -13.551 -9.106 4.284 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -8.940 -8.535 12.226 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -9.807 -8.603 11.768 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -8.286 -8.488 11.494 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -14.941 -9.836 8.899 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -14.586 -9.442 8.084 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -15.563 -9.167 9.234 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -13.893 -7.709 7.050 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -13.540 -7.339 6.209 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -13.124 -7.702 7.652 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -13.102 -11.718 2.292 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -13.464 -10.957 2.803 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -13.843 -12.347 2.246 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -22.459 -4.351 6.758 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -23.213 -3.845 7.066 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -21.817 -3.688 6.496 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -20.329 6.271 4.124 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -20.830 6.326 4.941 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -20.349 7.183 3.767 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -10.982 7.641 0.357 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -11.934 7.774 0.533 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -10.845 8.030 -0.538 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -12.823 -12.326 21.084 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -13.733 -12.005 20.950 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -12.932 -13.284 21.262 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -11.151 -10.745 19.406 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -10.711 -10.412 20.199 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -11.765 -11.423 19.744 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -10.543 11.851 -8.033 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.171 12.487 -7.398 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -11.415 12.236 -8.276 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -9.060 13.202 -5.813 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -8.706 12.303 -6.039 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.536 13.471 -5.043 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -16.239 10.878 -8.221 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -16.037 11.514 -8.936 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -15.569 11.064 -7.542 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -11.646 14.193 -5.763 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -10.720 13.891 -5.678 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -12.126 13.692 -5.075 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -17.694 6.202 -4.205 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -18.092 6.688 -4.957 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -18.467 5.890 -3.685 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -14.390 11.814 -6.277 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -13.866 12.049 -5.483 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -13.886 12.208 -7.020 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -15.041 15.183 -8.454 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -15.775 15.693 -8.098 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -14.241 15.619 -8.077 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -15.448 12.924 -9.909 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -15.830 13.134 -10.769 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -15.427 13.790 -9.435 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -20.052 13.060 -0.802 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -20.399 13.038 -1.725 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -20.305 13.929 -0.479 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -21.094 13.470 -3.281 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -21.857 13.880 -3.696 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -20.528 13.195 -4.039 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -16.652 10.160 -1.240 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -16.078 10.895 -1.532 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -17.378 10.604 -0.740 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -19.661 5.790 -2.273 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -19.189 6.546 -1.880 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -19.916 5.237 -1.496 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -13.070 12.887 -8.472 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -13.759 12.680 -9.138 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -13.139 13.848 -8.353 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -12.779 16.114 -7.281 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -12.350 15.426 -6.718 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -12.365 16.936 -7.000 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -16.908 12.106 -5.038 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -16.054 12.069 -5.517 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -16.657 12.243 -4.117 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -13.750 7.622 0.579 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -14.345 8.292 1.002 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -13.902 7.744 -0.371 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -18.428 11.306 0.464 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -18.967 11.145 1.244 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -18.951 11.964 -0.058 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -13.059 12.556 -3.959 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -13.761 12.829 -3.342 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -12.589 11.845 -3.480 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -14.709 12.161 -1.657 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -13.928 11.562 -1.635 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -14.647 12.662 -0.835 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -12.582 10.484 -2.097 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -13.082 9.694 -2.380 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -11.676 10.141 -1.934 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -15.551 9.543 1.238 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -16.021 9.740 0.403 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -16.099 9.948 1.919 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 6.561 -26.922 4.008 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 6.050 -26.641 4.810 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 6.023 -26.583 3.257 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -7.919 -26.729 -0.079 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -8.447 -27.491 -0.358 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -7.017 -26.929 -0.412 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -3.283 -28.174 2.537 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -3.542 -27.440 3.143 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -3.019 -28.902 3.147 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -7.532 -33.669 2.406 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -7.771 -34.411 1.812 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -7.384 -32.908 1.794 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -7.374 -28.915 -2.084 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -7.432 -29.447 -2.910 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -7.999 -29.361 -1.471 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -5.440 -27.149 -1.201 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -5.941 -27.900 -1.589 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -4.499 -27.449 -1.230 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 4.372 -31.143 10.767 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 3.656 -31.778 10.859 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 4.116 -30.606 9.970 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 5.996 -35.854 12.463 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 6.497 -35.179 11.955 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 6.466 -36.672 12.290 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -6.453 -36.062 14.068 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -6.634 -36.790 14.713 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -6.822 -36.393 13.225 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -0.209 -31.572 9.643 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -0.020 -31.813 8.713 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -0.110 -30.613 9.666 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -10.112 -36.030 5.814 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -9.369 -35.754 5.235 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -10.887 -36.083 5.204 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -1.451 -33.281 11.372 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -1.039 -32.665 10.726 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -0.696 -33.801 11.722 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -10.872 -37.750 7.832 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -11.800 -37.987 7.666 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -10.625 -37.206 7.055 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 5.354 -31.727 7.382 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 4.884 -32.016 6.588 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 4.668 -31.217 7.889 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -3.439 -36.904 12.955 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -4.081 -37.293 13.561 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -3.762 -37.164 12.066 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -3.852 -34.448 11.628 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -3.605 -35.115 12.296 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -3.019 -33.937 11.481 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 3.420 -31.657 16.811 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 2.909 -32.456 17.046 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 4.211 -31.697 17.387 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -5.725 -36.801 7.925 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -6.263 -37.282 7.263 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -6.224 -35.980 8.086 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -7.329 -36.566 11.419 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -6.497 -36.939 11.062 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.166 -35.599 11.435 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.244 -37.862 15.879 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -8.158 -37.518 16.035 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -7.060 -38.399 16.652 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -7.609 -37.660 6.065 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -7.462 -37.037 5.322 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -8.472 -37.401 6.419 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 8.320 -27.181 0.845 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 8.628 -27.322 1.764 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 8.981 -27.625 0.306 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -17.986 -42.227 13.093 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -18.061 -41.426 12.531 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -18.720 -42.780 12.815 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -12.825 -32.878 9.697 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -12.360 -33.710 9.530 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -13.559 -33.131 10.303 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 1.196 -27.395 4.076 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 1.965 -27.047 4.600 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 1.314 -28.369 4.105 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -8.605 -34.457 14.889 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -8.129 -33.606 14.787 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -7.957 -35.123 14.591 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 0.671 -37.819 16.575 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 1.514 -38.222 16.355 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 0.761 -36.891 16.274 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -11.049 -42.229 7.229 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -11.379 -43.040 7.626 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -11.276 -41.534 7.880 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -8.471 -39.431 4.116 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -8.122 -39.055 4.947 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -7.851 -39.099 3.428 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.933 -38.146 17.415 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -1.798 -38.769 18.133 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -1.035 -38.022 17.033 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -10.847 -40.556 5.049 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -9.956 -40.300 4.721 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.666 -41.215 5.755 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -6.929 -32.322 14.467 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -6.244 -32.288 15.180 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -7.288 -31.430 14.443 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 0.542 -32.376 7.076 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 0.983 -33.196 7.324 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 1.289 -31.755 6.866 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 6.004 -32.621 14.598 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 6.378 -32.972 15.415 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 5.237 -33.214 14.412 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -7.184 -34.520 8.765 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.017 -35.009 8.943 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -6.912 -34.185 9.647 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -1.473 -32.182 5.187 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -0.763 -32.306 5.854 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -2.159 -32.834 5.442 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -3.641 -35.999 17.590 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -3.143 -36.843 17.493 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -3.953 -35.798 16.687 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 10.884 -32.788 16.713 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 11.121 -32.654 15.768 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 10.988 -31.893 17.112 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 7.683 -32.996 8.300 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 7.497 -33.529 9.092 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 6.802 -32.728 7.977 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 4.167 -34.557 14.071 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 4.750 -35.060 13.456 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 3.583 -35.224 14.442 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.332 -36.007 1.111 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -9.005 -36.562 1.583 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -8.563 -36.101 0.181 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -6.262 -33.860 6.304 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -6.760 -33.087 5.962 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -6.597 -33.976 7.223 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.375 -34.714 12.836 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 1.146 -34.746 13.416 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -0.357 -35.045 13.395 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -0.121 -30.331 2.332 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 0.705 -30.210 2.850 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -0.563 -31.069 2.768 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 9.105 -27.703 3.458 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 8.177 -27.482 3.711 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 9.365 -28.387 4.088 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.967 -30.030 4.085 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 2.849 -29.695 3.807 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 2.130 -30.403 4.986 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -6.504 -33.946 11.396 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -5.520 -34.025 11.447 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.732 -33.366 12.137 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -3.642 -33.855 5.604 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -3.415 -34.790 5.645 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -4.556 -33.815 5.969 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -7.703 -35.397 4.537 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -7.105 -34.909 5.144 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -7.649 -34.894 3.698 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -2.665 -29.896 4.499 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.091 -30.671 4.717 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.581 -29.308 5.279 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -3.418 -26.489 4.644 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -3.239 -27.053 5.419 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -3.459 -25.584 5.011 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -4.802 -31.535 4.104 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -4.433 -32.392 4.384 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -4.065 -30.904 4.240 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -6.857 -38.021 2.410 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -7.344 -37.277 2.005 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -5.986 -37.979 2.009 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -2.830 -27.651 -1.540 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -2.341 -28.140 -0.842 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -2.136 -27.302 -2.109 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -1.384 -28.666 0.560 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.821 -29.328 1.027 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -2.120 -28.502 1.183 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -11.148 -33.602 15.463 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -10.296 -33.935 15.104 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -11.617 -34.411 15.759 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -1.613 -34.159 17.371 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -2.254 -34.874 17.555 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -1.679 -33.569 18.163 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -1.788 -35.290 14.477 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -2.593 -34.961 14.927 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -2.121 -36.006 13.896 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -9.634 -36.672 16.257 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -10.525 -36.505 16.631 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -9.344 -35.800 15.935 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -4.323 -34.591 15.288 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.100 -34.943 14.803 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -4.633 -33.724 15.643 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -1.947 -32.284 19.243 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.525 -31.721 18.681 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -1.959 -31.842 20.123 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -4.727 -36.894 10.464 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -4.931 -37.009 9.506 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -4.378 -35.986 10.526 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 0.858 -35.200 15.727 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 1.122 -34.581 16.443 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -0.117 -35.138 15.706 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -2.422 -24.692 1.136 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -2.248 -25.400 1.784 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.532 -24.375 0.896 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -7.460 -32.042 4.630 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -6.576 -31.652 4.457 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -7.624 -32.611 3.847 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 4.301 -32.379 21.389 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 4.620 -31.580 20.929 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 3.661 -32.029 22.053 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 6.670 -31.651 12.084 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 5.813 -31.457 11.630 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 6.404 -31.974 12.974 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -10.923 -34.252 7.869 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -10.343 -34.755 8.477 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -10.841 -34.728 7.018 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -9.371 -36.045 9.372 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -9.885 -36.779 8.967 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -8.957 -36.449 10.159 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -1.008 -26.496 2.793 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -1.663 -27.212 2.733 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -0.242 -26.908 3.255 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 4.320 -28.676 3.705 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 3.930 -27.954 4.265 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 5.265 -28.483 3.702 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -7.302 -31.374 0.955 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -6.765 -30.660 1.352 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -8.009 -30.903 0.478 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -3.724 -33.083 25.547 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -3.486 -32.414 24.844 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -3.227 -32.793 26.324 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 2.126 -31.340 25.748 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 2.275 -31.822 26.569 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 1.160 -31.429 25.589 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 0.099 -35.657 29.458 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -0.736 -35.841 29.939 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -0.115 -35.858 28.520 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -0.539 -31.306 25.063 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -0.653 -30.622 25.760 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -1.414 -31.321 24.587 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -2.063 -35.992 31.139 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -2.827 -35.382 31.032 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -2.457 -36.809 31.461 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -6.918 -31.476 29.810 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -7.701 -30.971 29.535 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -6.480 -31.718 28.965 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -9.072 -30.153 23.028 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -8.358 -29.593 23.375 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -8.970 -30.997 23.514 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -0.186 -29.536 27.115 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -0.796 -29.646 27.873 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 0.598 -29.111 27.504 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -1.215 -29.649 29.696 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -1.691 -30.459 29.978 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -1.362 -29.017 30.435 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 8.203 -35.492 31.008 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 8.346 -34.689 30.455 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 7.920 -36.180 30.356 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.165 -36.307 26.776 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -0.428 -37.145 26.383 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -0.515 -35.629 26.150 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 4.748 -37.914 28.688 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 4.643 -38.441 27.887 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 3.996 -37.273 28.651 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 6.719 -33.385 22.318 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 7.268 -33.584 21.549 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 5.924 -32.962 21.941 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -6.243 -33.419 24.449 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -6.308 -33.800 23.539 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -5.287 -33.427 24.642 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -4.463 -34.344 28.125 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -5.077 -33.597 27.976 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -4.295 -34.691 27.240 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.323 -31.783 31.806 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -0.605 -31.557 31.613 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.307 -32.752 31.944 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.957 -33.160 33.365 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.548 -32.465 33.012 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.905 -33.810 32.646 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 4.955 -35.015 23.631 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 4.373 -34.325 23.956 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 5.763 -34.536 23.347 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -5.386 -31.154 32.108 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -6.097 -31.235 32.792 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -5.875 -31.181 31.256 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -8.777 -32.470 24.488 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -9.328 -33.137 24.055 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -7.875 -32.871 24.496 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -11.464 -31.708 30.287 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -10.941 -31.254 29.579 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -11.769 -32.523 29.870 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 7.642 -32.121 34.636 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 7.639 -33.058 34.344 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 6.852 -31.731 34.199 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -2.517 -31.782 30.908 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -2.886 -32.667 30.742 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -3.222 -31.321 31.391 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -4.145 -34.280 30.789 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -5.104 -34.208 31.024 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -4.151 -34.368 29.804 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 1.526 -33.433 17.727 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 1.014 -32.602 17.838 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 1.394 -33.905 18.560 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 3.337 -28.450 34.866 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 3.122 -29.383 34.657 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 4.321 -28.425 34.871 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.803 -33.871 31.163 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -7.686 -34.127 31.447 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -6.925 -32.982 30.771 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 2.488 -36.430 28.236 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 1.958 -36.387 27.427 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 1.877 -36.126 28.934 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -5.929 -32.093 27.287 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -6.643 -31.458 27.051 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -5.686 -32.499 26.435 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 2.387 -33.722 33.508 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 2.861 -34.533 33.713 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 1.562 -34.028 33.074 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 7.817 -34.696 33.705 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 7.406 -35.573 33.845 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 8.068 -34.704 32.760 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.942 -33.060 20.776 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -8.989 -32.988 20.558 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.352 -33.368 19.942 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 0.212 -34.526 32.000 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -0.692 -34.868 32.122 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 0.473 -34.862 31.118 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 0.160 -30.015 22.766 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -0.551 -30.414 22.195 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 0.027 -30.444 23.634 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 2.751 -31.035 33.886 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 1.926 -30.764 33.457 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 2.687 -32.019 33.921 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 2.719 -31.000 23.081 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 2.597 -31.165 24.038 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 1.859 -30.629 22.791 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -7.352 -32.749 19.852 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -7.202 -31.842 19.565 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -6.732 -33.282 19.295 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -6.841 -29.033 24.453 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -7.078 -28.101 24.199 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -5.894 -29.101 24.235 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -7.479 -28.193 34.500 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -7.722 -28.931 35.101 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -8.008 -28.366 33.686 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -3.128 -31.930 35.654 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -3.330 -32.573 36.337 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -3.343 -32.397 34.814 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -5.495 -34.020 18.367 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -5.233 -33.362 17.686 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -4.857 -34.751 18.251 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -6.451 -34.386 21.917 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -5.848 -34.883 21.355 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -6.894 -33.768 21.300 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -1.301 -34.609 24.953 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -2.219 -34.291 24.922 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -0.820 -33.998 24.378 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.578 -35.056 20.843 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 4.632 -35.411 21.748 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 4.271 -34.135 20.967 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -10.925 -33.282 18.226 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -10.860 -33.362 17.255 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -10.910 -32.317 18.384 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 6.553 -33.938 19.311 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 5.981 -34.588 19.775 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 5.941 -33.229 19.052 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 7.384 -37.222 29.120 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 7.810 -37.810 28.491 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 6.426 -37.373 28.981 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -8.017 -30.621 26.382 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -7.557 -30.018 25.756 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -8.421 -31.305 25.799 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -7.491 -31.393 33.783 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -8.368 -31.495 33.358 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -7.693 -30.995 34.651 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -1.414 -28.059 31.991 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -2.334 -28.350 32.177 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -1.126 -27.633 32.834 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 1.022 -26.934 31.116 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 0.139 -27.226 31.423 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 1.234 -27.549 30.385 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 2.672 -31.036 30.666 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 1.828 -31.280 31.118 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 3.209 -31.837 30.723 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 4.899 -29.437 31.196 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 4.690 -28.508 31.064 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 4.092 -29.909 30.904 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 5.543 -30.766 33.481 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 4.605 -30.936 33.703 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 5.501 -30.283 32.622 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -3.460 -29.206 35.529 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -3.293 -30.171 35.644 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -2.995 -28.791 36.281 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -8.193 -30.185 36.219 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -8.336 -29.468 36.883 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -8.144 -30.986 36.748 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -0.709 -20.640 -7.896 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -0.609 -21.279 -8.608 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -1.313 -21.077 -7.264 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -9.243 -17.149 -4.856 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -9.144 -18.119 -4.777 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -8.330 -16.828 -5.010 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -10.085 -14.005 -7.046 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -9.968 -14.853 -7.495 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -9.189 -13.802 -6.677 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -5.160 -18.323 -4.936 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -5.015 -19.205 -5.322 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -4.285 -18.077 -4.564 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 5.475 -22.005 -1.045 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 5.295 -21.525 -1.881 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 6.364 -22.391 -1.181 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -7.505 -27.180 -4.374 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -7.478 -27.554 -3.477 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -7.263 -26.243 -4.250 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -6.746 -16.090 -4.840 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -6.770 -15.927 -3.877 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -6.118 -16.848 -4.942 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -7.297 -24.025 -6.836 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -7.154 -24.819 -6.301 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -7.567 -24.362 -7.696 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 7.537 -15.087 -4.187 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 7.734 -14.280 -4.671 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 8.050 -15.780 -4.654 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 7.538 -18.804 -3.788 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 8.007 -18.224 -4.424 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 7.098 -18.177 -3.175 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 3.938 -17.958 -3.410 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 4.755 -17.486 -3.130 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 3.222 -17.399 -3.089 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -7.647 -13.734 -5.883 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -6.816 -13.286 -6.067 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -7.371 -14.608 -5.515 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.641 -20.865 -6.019 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.671 -20.708 -6.970 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -3.748 -21.253 -5.869 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -1.175 -14.763 -2.060 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -2.091 -14.706 -1.739 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -0.956 -15.717 -1.998 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -11.972 -12.003 -7.199 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -11.433 -11.383 -7.707 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -11.392 -12.786 -7.082 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 6.181 -15.491 0.082 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 6.777 -14.810 0.448 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 5.307 -15.271 0.467 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -7.840 -29.919 -4.574 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -7.987 -30.374 -5.408 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -7.808 -28.972 -4.818 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -0.113 -25.463 -2.763 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -0.078 -25.823 -1.839 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 0.666 -25.841 -3.188 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 4.000 -24.285 -0.877 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 4.507 -23.449 -0.962 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 4.682 -24.957 -0.698 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -7.017 -21.930 -5.099 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -6.175 -21.503 -5.373 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -7.235 -22.530 -5.848 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -8.630 -19.843 -4.218 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -8.033 -20.557 -4.536 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -9.462 -20.298 -4.027 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -2.020 -24.094 -4.273 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -2.858 -24.431 -3.892 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -1.331 -24.645 -3.852 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.544 -18.799 -6.304 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.045 -19.340 -6.963 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.346 -18.538 -6.772 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -2.115 -21.869 -5.832 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -1.384 -21.431 -5.339 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -2.135 -22.782 -5.461 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -0.350 -16.751 -4.632 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -0.059 -17.024 -3.739 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -0.046 -17.475 -5.219 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -10.687 -14.895 -4.415 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.549 -14.497 -5.295 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -10.219 -15.766 -4.473 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 1.540 -14.495 -1.512 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 0.579 -14.520 -1.714 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.953 -14.275 -2.359 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 6.205 -16.698 -2.454 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 6.619 -16.004 -3.020 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 6.190 -16.295 -1.558 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -0.056 -20.753 -4.478 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -0.098 -20.311 -3.609 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 0.287 -20.060 -5.083 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -4.507 -6.175 -4.067 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -5.213 -5.548 -3.833 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -3.682 -5.671 -3.933 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -2.843 -17.550 -3.745 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -2.058 -17.133 -4.156 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -3.142 -16.896 -3.081 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 1.555 -11.586 -4.188 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 1.173 -12.481 -4.311 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.925 -10.995 -4.644 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -9.359 -22.224 -1.338 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -10.284 -22.281 -1.686 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -8.951 -23.067 -1.604 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 1.893 -22.769 -0.212 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 2.649 -23.380 -0.371 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 1.477 -22.673 -1.092 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 0.391 -22.725 -2.490 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 0.203 -23.684 -2.572 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 0.345 -22.393 -3.406 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 7.431 -23.353 -2.441 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 7.989 -22.617 -2.774 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 7.072 -23.755 -3.238 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 1.856 -16.099 0.787 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 1.724 -15.631 -0.061 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 2.610 -15.629 1.199 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -6.822 -24.518 -3.868 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -7.173 -24.410 -2.956 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -6.968 -23.644 -4.284 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.257 -25.006 -2.980 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -5.132 -24.884 -3.407 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -4.299 -25.903 -2.606 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -0.059 -17.271 -1.901 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.808 -17.821 -1.590 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 0.724 -17.662 -1.460 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -0.304 -20.180 -1.800 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 0.445 -19.729 -1.357 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -0.025 -21.120 -1.842 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 0.258 -26.603 -0.343 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 0.899 -26.377 0.362 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -0.274 -27.329 0.043 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -4.931 -24.604 0.022 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -4.071 -24.613 0.508 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -5.046 -25.529 -0.273 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -10.273 -6.899 -10.114 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -10.771 -6.054 -10.209 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.935 -7.591 -10.326 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -11.993 -9.090 -10.241 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -12.653 -9.451 -10.844 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -11.430 -9.858 -10.010 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 0.220 -13.985 -4.312 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 0.113 -14.869 -4.713 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -0.405 -13.992 -3.560 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -13.318 -14.450 -3.875 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -13.868 -15.183 -4.223 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -12.403 -14.700 -4.117 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 5.265 -20.431 -3.471 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 4.635 -19.752 -3.777 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 6.139 -20.047 -3.670 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -7.825 -22.002 0.972 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -8.265 -22.307 0.156 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -8.266 -21.163 1.179 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 7.576 -24.582 5.359 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 6.721 -24.815 5.796 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 7.767 -25.350 4.800 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 4.860 -26.321 1.870 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 4.643 -27.239 1.659 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 5.341 -25.997 1.077 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -0.044 -8.893 -2.709 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 0.028 -9.181 -3.639 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.998 -8.748 -2.582 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 6.386 -25.588 -0.301 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 7.094 -26.127 0.126 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 6.870 -24.990 -0.893 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -2.852 -9.052 -3.178 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -2.877 -9.165 -4.148 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -3.142 -9.927 -2.828 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -0.252 -9.806 -5.354 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 0.092 -9.426 -6.168 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -1.225 -9.802 -5.480 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -9.625 -8.587 -7.994 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -9.575 -7.995 -8.773 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -9.606 -9.484 -8.376 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -10.135 -11.028 -9.388 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -10.170 -11.965 -9.154 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -9.464 -10.989 -10.113 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -8.277 -11.148 -11.380 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -7.333 -11.333 -11.312 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -8.448 -11.129 -12.330 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -7.463 -24.278 -1.223 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -6.651 -24.152 -0.692 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.882 -25.074 -0.825 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -5.797 -29.458 2.328 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -5.532 -30.178 2.934 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -4.979 -28.938 2.203 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 1.976 -25.955 1.805 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 1.789 -26.472 2.616 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 2.944 -25.834 1.819 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 4.601 -10.381 -0.597 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 5.053 -9.666 -1.049 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.708 -10.397 -1.007 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 4.126 -14.612 1.753 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 4.192 -13.634 1.739 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 4.647 -14.876 2.541 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -4.446 -12.181 4.973 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -4.021 -13.065 5.004 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -3.712 -11.569 4.799 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 1.374 -12.172 0.007 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.461 -13.051 -0.414 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.690 -11.545 -0.681 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -0.059 -10.146 1.404 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 0.672 -10.284 2.042 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 0.157 -10.753 0.670 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -0.865 -11.440 6.906 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -1.234 -11.294 7.785 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 0.084 -11.535 7.057 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 7.143 -13.613 2.011 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 7.396 -12.939 2.678 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 6.785 -14.348 2.547 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -3.476 -14.701 5.466 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -4.008 -15.518 5.508 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -2.684 -14.907 5.968 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 4.941 -11.949 1.622 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 5.822 -12.364 1.546 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 4.871 -11.380 0.817 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -4.713 -9.909 0.202 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -3.967 -9.976 0.850 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -4.557 -9.054 -0.259 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 0.191 -23.839 1.520 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 0.754 -23.341 0.883 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 0.694 -24.668 1.678 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 5.005 -22.085 2.096 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 5.884 -22.368 2.419 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 5.068 -22.170 1.131 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -2.292 -10.258 4.854 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -1.897 -9.355 4.863 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -1.704 -10.781 5.450 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -0.455 -11.145 12.855 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 0.257 -10.949 12.237 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -0.648 -10.277 13.285 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -2.742 -10.290 2.056 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -2.729 -10.295 3.031 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.794 -10.274 1.804 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 6.891 -12.067 4.265 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 6.887 -12.067 5.243 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 6.006 -11.769 4.025 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 5.877 -24.138 31.411 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 5.994 -24.888 32.028 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 6.792 -23.879 31.170 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -7.843 -14.643 31.796 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -7.891 -15.382 32.436 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -8.551 -14.837 31.156 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -0.354 -13.948 32.746 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -0.333 -13.502 31.879 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -0.548 -13.224 33.377 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 1.958 -15.564 32.517 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 1.159 -15.014 32.653 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 2.668 -14.912 32.325 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 6.667 -20.640 27.985 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 7.298 -21.280 27.610 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 6.845 -20.660 28.942 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -5.693 -12.812 31.202 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -4.921 -12.792 31.801 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -6.204 -13.592 31.493 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 4.192 -14.075 31.891 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 4.214 -13.092 31.799 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 4.880 -14.265 32.540 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -4.713 -14.052 34.142 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -4.526 -14.947 33.797 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -5.594 -14.137 34.565 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -7.283 -14.521 35.076 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -8.009 -13.880 34.894 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -7.529 -15.311 34.550 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -3.327 -12.260 32.701 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -2.511 -12.021 33.186 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -3.806 -12.857 33.323 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -5.300 -9.759 21.386 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -6.054 -10.292 21.701 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -5.726 -9.001 20.926 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 2.075 -23.970 33.959 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 2.911 -23.674 34.370 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 2.270 -24.881 33.659 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -2.132 -24.495 32.224 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -1.567 -24.512 33.024 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -2.776 -25.231 32.368 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -5.857 -18.471 33.167 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -5.939 -18.831 34.087 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -5.531 -19.233 32.638 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -1.025 -11.606 34.097 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -1.020 -10.645 34.179 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.995 -11.926 35.036 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 7.373 -20.531 33.556 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 7.807 -20.805 34.369 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 7.666 -19.596 33.432 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -2.498 -10.656 30.596 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -1.615 -11.075 30.579 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -2.973 -11.136 31.307 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -2.295 -11.062 19.424 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -2.315 -10.189 19.000 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -2.389 -10.865 20.375 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 5.523 -10.276 17.762 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 5.240 -9.799 16.951 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 5.750 -9.558 18.390 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -8.288 -11.941 31.824 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -8.236 -12.915 31.917 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -7.388 -11.682 31.563 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -3.413 -15.052 20.544 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -3.659 -15.754 21.169 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -2.503 -14.834 20.777 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 1.425 -29.007 29.324 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 1.974 -29.715 29.718 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 0.503 -29.297 29.499 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 2.944 -11.689 27.421 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 3.781 -12.208 27.373 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 2.272 -12.295 27.086 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -8.039 -10.689 21.526 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -8.086 -11.478 20.976 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -8.891 -10.688 22.013 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -0.991 -12.467 36.633 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -1.020 -13.452 36.648 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -1.131 -12.215 37.550 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 4.009 -17.477 32.607 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 3.601 -18.239 33.071 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 3.329 -16.781 32.654 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 0.496 -17.117 35.409 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.223 -16.884 34.814 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -0.313 -16.889 34.901 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 2.214 -23.705 37.263 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 3.119 -23.702 37.599 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 2.084 -24.615 36.939 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 2.687 -19.440 33.900 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 3.411 -20.111 33.919 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.155 -19.642 34.692 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -0.572 -23.995 34.466 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 0.387 -23.922 34.250 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -0.679 -23.425 35.253 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -0.618 -26.784 34.288 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -0.653 -25.815 34.414 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -0.483 -27.135 35.189 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -4.125 -26.245 32.741 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -4.056 -27.222 32.753 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -4.967 -26.059 33.198 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -2.750 -27.647 37.840 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -2.936 -26.698 37.626 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -3.493 -27.904 38.430 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -0.088 -8.216 16.781 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 0.337 -8.291 17.668 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -1.047 -8.358 16.968 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -11.898 -11.170 24.992 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -11.712 -10.949 25.923 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -12.653 -11.782 25.041 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -13.877 -12.293 28.310 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -13.999 -12.170 29.278 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -13.127 -11.698 28.088 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 4.088 -15.615 26.367 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 4.390 -16.154 25.602 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 3.805 -16.270 27.022 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 4.797 -17.322 24.324 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 5.298 -17.612 23.548 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 3.912 -17.733 24.207 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 6.344 -17.777 31.243 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 6.171 -17.119 30.541 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 5.525 -17.754 31.794 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.183 -13.246 27.063 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 5.751 -13.533 27.791 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 4.804 -14.089 26.710 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 5.335 -18.778 19.890 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 5.901 -19.364 19.349 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 4.533 -18.641 19.339 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 4.695 -21.216 33.851 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 4.747 -22.124 34.226 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.632 -20.965 33.703 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 4.744 -23.791 34.708 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 5.157 -24.491 34.164 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 4.802 -24.140 35.625 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 6.073 -28.377 34.757 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 6.185 -29.311 34.484 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 6.777 -28.234 35.424 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 2.355 -26.486 36.584 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 2.661 -27.188 35.969 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 1.430 -26.741 36.792 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -7.941 -16.744 33.602 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -8.738 -17.223 33.265 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -7.200 -17.375 33.448 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -9.426 -12.994 34.202 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -8.974 -12.297 33.697 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -10.282 -13.098 33.744 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 2.887 -26.464 33.007 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 2.837 -27.226 33.624 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 2.170 -26.639 32.349 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.048 -11.646 31.113 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 0.790 -11.328 30.552 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 0.273 -11.336 31.998 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 4.299 -11.368 31.716 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 4.846 -10.575 31.702 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 3.542 -11.146 31.132 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 2.337 -10.644 29.931 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 2.621 -9.705 29.828 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 2.510 -11.041 29.051 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -9.772 -11.730 29.495 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -9.442 -11.683 30.418 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -9.026 -11.361 28.961 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -7.638 -10.561 28.300 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -7.430 -10.056 27.510 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -6.774 -10.645 28.765 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -5.146 -10.791 29.454 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -5.350 -11.568 30.019 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -4.227 -10.566 29.685 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -3.875 -28.959 32.814 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -4.495 -29.686 32.593 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -3.667 -29.102 33.767 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -6.204 -21.919 42.237 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -5.482 -22.458 42.634 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -5.765 -21.106 41.949 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -11.127 -20.744 41.735 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -10.344 -21.134 42.174 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -10.747 -20.053 41.138 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -10.143 -18.996 39.960 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -9.283 -18.545 39.829 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -10.789 -18.417 39.507 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 0.006 -22.205 36.641 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 0.812 -22.724 36.876 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 0.349 -21.309 36.441 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -5.829 -18.728 41.270 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -6.652 -18.399 40.859 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -5.686 -18.138 42.015 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 1.173 -19.650 36.293 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 0.796 -18.771 36.059 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 1.706 -19.476 37.076 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -0.157 -27.624 36.963 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 0.058 -28.511 37.269 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -1.074 -27.474 37.292 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -5.392 -24.095 35.734 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -5.705 -24.741 35.070 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -5.654 -23.228 35.366 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -7.505 -25.652 37.246 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.338 -24.782 37.672 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -6.634 -25.907 36.877 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -8.852 -21.980 42.847 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -8.767 -21.853 43.798 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.919 -21.962 42.518 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -4.204 -23.516 43.347 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -4.107 -24.035 44.175 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -3.647 -23.978 42.715 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -3.340 -25.065 37.293 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -4.074 -24.864 36.677 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -2.967 -24.190 37.509 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -1.682 -16.032 34.037 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -1.301 -15.323 33.476 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -2.559 -16.214 33.632 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -4.142 -16.408 32.788 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -4.328 -16.275 31.851 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -4.705 -17.177 33.037 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -7.769 -17.666 39.484 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.721 -16.788 39.068 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -7.150 -18.213 38.952 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -5.276 -28.130 38.864 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -6.176 -28.228 39.188 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -5.386 -27.823 37.939 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -6.726 -15.890 37.449 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -6.878 -15.268 36.702 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.784 -15.804 37.637 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -6.209 -19.273 35.707 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -6.097 -18.977 36.631 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -6.070 -20.234 35.749 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -1.153 -15.168 36.625 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -1.603 -15.397 35.788 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -0.451 -15.834 36.704 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -5.732 -19.157 38.456 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -5.396 -19.139 39.370 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -5.542 -20.076 38.148 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -2.504 -22.479 37.761 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -2.355 -22.006 38.585 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -1.650 -22.396 37.279 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -8.942 -17.036 36.285 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -8.638 -17.090 35.364 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -8.134 -16.815 36.791 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -7.608 -23.139 38.481 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -7.434 -22.959 39.414 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -8.585 -23.102 38.409 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.485 -27.411 36.229 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -4.709 -27.910 35.899 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.210 -27.683 35.635 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -6.658 -25.693 33.849 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -7.494 -25.231 33.649 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -6.938 -26.610 34.067 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -3.719 -25.357 45.364 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -3.263 -25.299 46.209 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -4.149 -26.218 45.384 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -10.423 -1.353 -7.056 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.673 -1.200 -6.433 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -10.443 -2.329 -7.168 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.499 3.218 -7.666 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -2.644 3.767 -6.861 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -2.121 3.831 -8.304 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -10.255 -1.721 -9.779 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -9.370 -2.158 -9.821 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -10.285 -1.342 -8.873 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -12.964 -1.573 -8.881 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -12.777 -0.616 -8.824 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -12.137 -1.955 -9.216 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -11.442 -4.419 -10.085 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -11.034 -3.577 -10.349 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -12.381 -4.337 -10.386 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -6.519 -4.274 -3.812 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -7.004 -4.551 -4.603 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -5.790 -3.710 -4.162 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -2.145 1.537 -3.835 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -1.837 1.446 -4.750 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -2.933 0.973 -3.795 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -6.793 -5.852 -7.127 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -6.357 -4.974 -7.085 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -7.103 -5.918 -8.055 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -8.438 -0.981 -5.295 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -7.677 -0.371 -5.378 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -8.299 -1.423 -4.436 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -2.999 -9.671 -5.913 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -3.737 -9.027 -6.033 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -3.267 -10.434 -6.434 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -4.198 -0.227 -4.822 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -3.523 0.044 -5.487 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -5.027 0.211 -5.132 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -5.951 -0.694 -2.598 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -5.741 0.027 -1.965 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -5.279 -0.599 -3.295 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -7.275 3.123 -4.140 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -7.479 3.575 -4.992 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -7.143 3.860 -3.508 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -11.499 3.816 -9.297 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -11.317 4.085 -10.229 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -10.633 3.845 -8.872 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -10.297 3.314 -4.755 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -10.670 2.627 -5.352 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -10.355 4.135 -5.276 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -5.120 -7.917 -6.027 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -5.729 -7.340 -6.525 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -4.848 -7.366 -5.258 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -3.918 -11.257 -2.082 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -3.526 -12.094 -1.772 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.250 -10.835 -1.265 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -5.817 -3.255 -7.134 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -5.451 -2.596 -7.736 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -5.302 -3.135 -6.306 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -2.122 -3.646 2.673 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -2.168 -4.587 2.947 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -1.581 -3.229 3.350 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -12.281 -8.017 -7.677 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -12.642 -8.321 -8.529 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -11.318 -8.162 -7.765 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -7.942 -3.048 -9.232 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -7.876 -3.993 -9.477 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -7.488 -2.994 -8.377 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -2.321 -4.458 -3.582 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -1.430 -4.510 -3.948 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -2.211 -4.753 -2.645 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -2.642 4.595 -5.333 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -3.396 4.833 -4.785 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -1.971 4.305 -4.703 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -2.339 0.734 -6.612 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -1.779 0.289 -7.257 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -2.482 1.633 -6.999 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -2.549 1.526 -1.118 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -2.277 1.633 -2.055 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -1.720 1.467 -0.636 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -10.212 5.754 -6.204 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -9.952 6.306 -6.981 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -10.236 6.396 -5.459 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -2.027 -5.526 -1.073 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -2.843 -5.455 -0.560 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -1.475 -6.135 -0.557 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -9.327 -6.355 -6.318 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -8.374 -6.176 -6.472 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -9.469 -7.236 -6.714 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -7.250 5.325 -2.525 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -6.866 4.815 -1.770 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -6.811 6.199 -2.469 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -5.207 1.168 -0.725 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.209 0.491 -0.017 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -4.250 1.383 -0.850 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -8.121 -2.266 -2.831 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -7.699 -3.123 -3.038 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -7.364 -1.681 -2.589 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -4.917 -4.985 -0.872 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -4.692 -4.348 -0.151 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -5.032 -4.426 -1.652 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -4.376 -2.978 -4.795 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -3.575 -3.404 -4.415 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -4.191 -2.016 -4.728 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -7.286 -6.207 -0.190 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -6.371 -5.913 -0.384 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -7.707 -5.431 0.193 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -4.588 -7.769 -1.451 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -4.503 -6.799 -1.412 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -3.960 -8.038 -2.162 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -0.874 -7.384 1.309 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 0.021 -7.062 1.461 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -0.767 -8.355 1.232 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -11.202 1.370 -6.640 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -10.867 0.454 -6.675 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -11.763 1.445 -7.430 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -10.506 -4.090 -7.483 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -10.748 -4.380 -8.385 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -10.085 -4.879 -7.081 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -15.128 -3.285 -15.480 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -15.725 -3.260 -16.259 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -14.446 -3.913 -15.728 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -9.897 4.572 -2.132 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -10.187 4.198 -2.985 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -8.995 4.912 -2.312 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -6.498 1.007 -5.577 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -6.755 1.447 -6.399 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -6.689 1.679 -4.877 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -10.118 8.052 -4.682 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -10.557 8.622 -5.349 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -9.183 8.354 -4.687 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -7.757 4.420 -6.488 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -8.653 4.780 -6.350 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -7.318 5.082 -7.033 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -8.678 10.102 -9.082 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -8.339 10.443 -9.917 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -9.364 10.755 -8.815 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.799 -5.766 -9.710 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.689 -6.148 -9.874 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -7.269 -6.075 -10.455 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 2.146 -10.327 -1.854 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 1.409 -9.682 -1.953 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 2.140 -10.822 -2.707 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -11.639 -2.174 3.673 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -10.867 -1.916 4.211 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -12.068 -2.884 4.194 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 5.868 -6.632 7.844 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 5.586 -7.491 8.237 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 6.757 -6.501 8.183 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -6.884 -5.609 9.622 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -6.134 -5.155 10.021 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -6.853 -5.334 8.672 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -10.470 -5.162 7.826 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -10.048 -4.970 8.681 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -10.024 -4.555 7.197 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 3.663 -5.759 6.559 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 4.462 -6.100 7.034 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 3.991 -5.528 5.684 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -9.417 -5.222 10.657 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -9.293 -5.325 11.625 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -8.529 -5.407 10.282 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -10.874 4.109 3.027 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -11.673 4.606 3.276 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -10.710 4.377 2.100 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 5.219 -8.972 9.080 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 4.287 -8.897 9.370 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 5.598 -9.652 9.671 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 2.718 -9.053 10.360 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 2.484 -10.009 10.320 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 3.114 -8.939 11.239 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -10.238 0.839 1.946 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -10.027 1.272 2.796 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -11.091 0.372 2.115 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -7.025 -8.302 10.281 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -6.834 -8.895 9.516 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -6.962 -7.399 9.906 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 4.315 -8.239 13.277 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 4.708 -8.381 14.163 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 3.398 -7.959 13.471 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 2.030 -7.692 14.708 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 1.340 -8.130 15.228 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 2.583 -7.244 15.376 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -2.546 -6.301 3.289 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -2.192 -6.765 4.081 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -2.074 -6.721 2.537 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -6.722 -4.848 14.853 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -7.002 -4.359 15.664 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -5.798 -4.599 14.739 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -13.098 -6.600 12.792 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -13.515 -7.390 12.393 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -12.713 -6.124 12.027 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -8.497 -8.462 0.663 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -8.871 -8.136 1.503 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -8.039 -7.678 0.288 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -13.065 -6.656 4.658 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -12.213 -6.426 4.211 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -13.709 -6.714 3.921 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -11.053 -5.636 3.198 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -10.205 -6.107 3.081 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -10.959 -4.838 2.667 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -9.029 -3.542 6.110 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -8.624 -4.080 5.390 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -9.122 -2.651 5.719 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -7.592 -5.036 4.333 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -8.035 -5.812 3.943 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -6.709 -5.018 3.895 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 0.770 -7.603 8.939 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 1.168 -6.709 9.058 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 1.373 -8.197 9.440 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -5.126 -5.101 3.139 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -4.298 -5.606 3.267 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -4.890 -4.425 2.479 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -6.718 -4.709 7.095 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -7.510 -4.153 6.964 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -6.507 -5.028 6.206 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -9.034 -5.402 13.450 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -9.778 -4.983 13.927 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -8.232 -5.020 13.869 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -4.294 4.356 3.641 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -4.120 3.930 4.487 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -3.490 4.857 3.456 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -6.291 3.713 -0.608 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -5.883 2.831 -0.733 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -6.350 3.813 0.363 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -6.515 3.922 2.128 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -5.685 4.078 2.640 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -7.077 4.672 2.357 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -9.163 2.246 4.080 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -8.745 2.659 4.845 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -9.773 2.945 3.733 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 2.265 -5.323 8.896 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 2.897 -4.908 9.490 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 2.731 -5.358 8.034 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -1.345 -7.703 5.342 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -0.395 -7.450 5.410 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -1.664 -7.664 6.268 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -6.588 -8.650 4.070 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -5.675 -8.340 4.126 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -6.583 -9.277 3.307 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 6.704 -9.624 12.899 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 6.590 -10.153 12.084 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 5.913 -9.045 12.917 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -7.082 1.197 2.432 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -6.737 2.057 2.119 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -7.823 1.441 3.015 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -6.457 -9.899 8.177 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -6.988 -9.911 7.354 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -5.528 -9.823 7.862 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -5.634 -0.772 1.204 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -6.025 -0.075 1.779 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.318 -1.446 1.155 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -7.531 -3.333 16.940 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -7.504 -2.486 17.396 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -8.427 -3.686 17.138 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -4.249 -3.244 1.084 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -4.457 -2.289 1.124 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -3.387 -3.322 1.565 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -7.054 -7.458 13.970 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -7.806 -7.223 13.389 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -6.884 -6.640 14.480 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -5.635 -9.228 12.464 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -6.083 -8.514 12.966 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -5.905 -9.069 11.539 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -11.330 -4.911 14.971 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -11.667 -5.827 15.097 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -12.035 -4.468 14.481 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -3.988 -9.034 14.580 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -4.671 -8.661 15.173 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -4.475 -9.240 13.751 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -1.282 -9.090 14.361 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -2.246 -8.894 14.434 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -0.897 -8.694 15.164 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 0.711 -5.580 16.402 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 0.293 -6.428 16.649 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 0.538 -5.497 15.458 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -7.826 -6.850 17.712 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -8.417 -7.127 16.975 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -8.095 -5.938 17.896 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -2.683 -8.632 17.366 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -3.567 -8.545 16.957 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -2.814 -8.297 18.285 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -13.252 5.732 2.868 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -13.722 6.160 3.595 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -13.289 6.384 2.145 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -9.531 -7.299 15.599 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -10.495 -7.484 15.664 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -9.449 -6.753 14.798 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 7.802 -7.681 16.638 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 8.476 -7.757 17.348 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 8.111 -8.309 15.947 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -10.468 -9.614 6.806 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -9.508 -9.721 6.636 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -10.787 -10.536 6.956 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -12.114 -5.649 10.421 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -11.189 -5.366 10.597 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -12.029 -6.281 9.682 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 5.186 -8.236 15.908 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 4.581 -7.517 16.191 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 6.079 -7.903 16.135 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -10.582 -9.242 4.063 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -10.740 -10.138 3.740 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -10.735 -9.303 5.026 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 9.944 -13.729 12.904 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 9.263 -14.135 12.313 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 9.566 -12.874 13.144 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -1.894 -7.777 8.058 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -0.950 -7.820 8.337 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -2.313 -7.231 8.734 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 2.078 -11.701 10.076 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 1.511 -12.449 9.885 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 2.994 -12.084 10.052 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 6.252 -11.083 10.583 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 7.042 -11.586 10.351 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 5.508 -11.724 10.423 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -7.912 -10.165 5.883 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -7.444 -9.515 5.309 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -8.030 -10.935 5.315 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -6.807 -10.205 1.858 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -6.017 -10.193 1.271 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -7.486 -9.699 1.357 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.894 -9.596 7.173 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -3.225 -8.967 7.509 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -3.513 -9.926 6.341 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.135 -6.981 6.231 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 2.011 -6.550 6.222 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 1.017 -7.258 7.160 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 2.375 -11.174 2.375 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 2.039 -11.647 1.586 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 3.337 -11.336 2.355 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -8.571 8.862 1.009 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -9.382 8.331 0.861 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -8.673 9.205 1.902 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -8.872 -7.342 3.246 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -9.590 -7.953 3.559 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -8.046 -7.765 3.567 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -5.215 -10.702 18.577 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -5.034 -10.367 19.472 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -5.230 -11.676 18.685 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -7.792 9.696 -1.478 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -7.962 9.436 -0.539 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -7.857 10.684 -1.468 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 5.673 -7.253 28.351 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 6.261 -8.040 28.399 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 5.913 -6.834 27.513 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 3.154 -7.154 22.715 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 3.544 -6.508 23.336 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 3.922 -7.642 22.362 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 5.679 -7.455 25.431 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 5.071 -6.721 25.206 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 5.103 -8.117 25.866 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 3.353 -8.158 29.439 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 2.623 -7.524 29.282 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 4.169 -7.638 29.251 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -1.127 -8.526 29.275 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -1.686 -8.561 28.492 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -1.540 -9.164 29.890 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 0.606 -8.069 19.416 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 1.177 -7.347 19.697 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -0.001 -8.201 20.174 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 4.606 -5.518 19.066 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 4.381 -4.751 19.605 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 5.555 -5.383 18.836 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -6.494 1.632 29.220 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -7.100 2.308 29.522 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -6.649 1.576 28.277 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -5.439 -8.402 16.923 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -5.470 -9.195 17.503 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -6.166 -7.840 17.248 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 2.026 -7.035 26.245 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 1.614 -6.917 27.129 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 2.589 -7.835 26.348 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 3.801 -5.525 24.845 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 3.701 -4.593 25.064 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 3.079 -5.970 25.348 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 3.353 -6.303 16.713 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 3.713 -6.003 17.573 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 2.465 -5.884 16.667 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 5.280 -8.754 21.847 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.041 -8.420 22.369 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 5.528 -8.563 20.915 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 7.258 -5.682 18.446 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.160 -5.687 18.790 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 7.334 -6.128 17.576 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 0.684 -7.540 23.839 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 1.509 -7.380 23.329 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 0.931 -7.332 24.759 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -3.089 -8.022 19.938 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -3.869 -7.710 20.412 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -2.353 -7.887 20.570 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -9.950 -4.467 17.314 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -10.655 -4.628 17.950 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -10.384 -4.586 16.441 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 5.854 -8.009 19.323 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.650 -7.537 19.028 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 5.145 -7.335 19.265 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 8.912 -6.675 21.338 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 8.973 -5.749 21.597 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 8.291 -7.069 21.998 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 10.813 -8.591 22.007 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 11.525 -8.597 21.356 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 10.288 -7.801 21.782 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 1.006 -6.864 28.811 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 0.640 -6.080 29.233 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 0.322 -7.560 28.965 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 3.771 -9.068 26.775 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 3.539 -10.016 26.855 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 3.966 -8.795 27.692 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -5.153 -13.476 18.935 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -6.056 -13.850 18.989 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -4.625 -14.034 19.547 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -2.716 -10.274 22.155 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -2.902 -10.923 22.842 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -3.609 -9.976 21.860 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -6.908 -8.008 20.081 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -7.648 -8.551 20.386 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -7.238 -7.590 19.259 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -0.944 -8.159 21.711 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -1.434 -8.957 21.996 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -0.442 -7.886 22.514 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -8.148 10.723 -6.374 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -8.064 10.308 -7.252 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -7.792 10.053 -5.755 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -7.678 15.441 -6.879 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -8.066 15.984 -7.570 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -8.328 14.730 -6.738 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -5.818 14.875 -4.975 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -6.444 15.176 -5.673 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -4.953 14.944 -5.390 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 -11.280 9.464 -6.788 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 -12.206 9.535 -7.048 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 -10.873 10.294 -7.123 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -7.550 8.986 -4.299 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -7.699 9.524 -3.500 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -6.880 8.335 -4.021 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -5.976 7.781 -2.311 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -5.108 7.985 -1.947 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -6.571 8.449 -1.904 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -8.253 12.378 -1.415 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -7.641 13.034 -1.827 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -8.886 12.919 -0.935 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -6.766 14.364 -2.479 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -6.444 14.481 -3.403 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -6.268 15.012 -1.974 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 12.246 -33.750 18.861 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.077 -34.693 18.961 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 11.768 -33.506 18.033 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 9.853 -31.240 8.074 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 9.451 -30.958 8.917 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 9.307 -32.000 7.799 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 14.489 -32.173 18.524 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 13.687 -32.708 18.705 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 15.206 -32.812 18.536 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 5.669 -31.423 18.413 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 6.576 -31.553 18.072 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 5.780 -30.814 19.166 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 12.340 -33.772 9.126 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 12.624 -33.140 9.812 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 13.073 -33.797 8.508 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 9.079 -30.372 16.038 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 9.821 -30.220 16.661 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.577 -31.104 16.443 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 10.164 -33.257 10.746 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 10.540 -33.651 9.933 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 10.937 -32.863 11.192 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 8.780 -30.899 10.583 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.077 -31.019 11.260 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.326 -31.711 10.665 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 12.151 -30.152 8.956 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 11.345 -30.585 8.581 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 12.625 -29.827 8.182 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 7.543 -34.060 11.012 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 7.225 -33.224 11.410 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 8.515 -33.936 10.942 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 11.162 -30.330 17.825 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 10.839 -29.948 18.674 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 12.072 -29.973 17.735 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 11.452 -31.790 14.170 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 11.755 -31.833 13.250 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.754 -31.120 14.160 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 8.786 -28.624 13.984 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 8.027 -28.139 14.318 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.991 -29.270 14.698 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 14.044 -30.659 13.140 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 13.683 -30.935 13.992 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 14.490 -29.808 13.334 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 12.540 -31.799 11.181 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 13.211 -31.423 11.801 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 12.422 -31.099 10.503 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.302 -26.605 4.895 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 10.646 -26.786 4.202 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 11.566 -25.678 4.739 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 15.962 -35.398 34.009 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 16.313 -36.137 33.502 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 16.474 -35.404 34.826 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 8.354 -30.199 28.252 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 8.542 -30.613 29.124 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 8.685 -30.843 27.609 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 8.954 -33.604 29.273 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 8.641 -33.214 28.442 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 9.898 -33.807 29.097 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 8.090 -32.582 17.465 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 8.982 -32.918 17.253 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 7.739 -33.228 18.119 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.669 -32.553 26.768 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 10.439 -33.009 27.166 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.518 -33.022 25.933 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 12.811 -30.420 30.388 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.068 -29.691 30.982 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.422 -31.095 30.991 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 13.511 -34.215 33.735 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 12.862 -34.957 33.750 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 14.381 -34.656 33.851 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.497 -30.663 33.226 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.993 -31.223 33.851 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 10.198 -30.261 33.775 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 7.082 -37.232 32.898 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 7.365 -36.673 32.150 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 6.370 -37.794 32.520 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 10.830 -32.945 23.497 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 10.757 -32.630 22.562 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 11.087 -33.867 23.413 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 11.055 -35.099 31.055 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 11.389 -35.500 31.886 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 10.140 -35.426 30.988 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 11.506 -36.061 33.616 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 10.971 -36.862 33.407 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 11.040 -35.663 34.389 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 12.298 -32.723 31.786 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 11.718 -33.396 31.378 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 12.599 -33.145 32.618 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 5.237 -38.560 31.372 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 5.133 -38.311 30.433 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 4.607 -39.275 31.498 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 13.364 -29.664 25.442 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 12.440 -29.972 25.294 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 13.901 -30.282 24.933 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 13.801 -32.433 28.856 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 14.747 -32.343 29.007 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 13.403 -31.716 29.394 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 10.901 -30.739 25.033 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 10.917 -31.506 24.410 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 10.398 -31.069 25.799 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.801 -29.590 18.015 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 14.008 -29.181 18.865 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 14.142 -30.511 18.102 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.548 -30.409 36.575 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.469 -30.714 36.730 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.163 -31.097 35.991 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.065 -32.020 35.342 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.406 -31.323 34.747 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.235 -32.854 34.856 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.691 -38.017 33.187 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 9.682 -38.966 33.335 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.742 -37.768 33.171 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.903 -32.204 20.879 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.693 -31.304 20.558 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 11.386 -32.615 20.142 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.557 -33.953 28.565 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 12.412 -33.463 28.537 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.641 -34.533 29.352 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 9.880 -34.985 35.520 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 9.147 -34.755 34.916 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 9.482 -34.968 36.393 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 8.790 -31.256 30.682 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 8.926 -32.204 30.490 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 9.164 -31.136 31.589 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.814 -28.073 31.576 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.180 -27.577 31.020 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 14.676 -27.853 31.203 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 13.536 -28.870 28.090 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 13.395 -29.239 27.188 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 13.261 -29.592 28.691 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 8.309 -27.558 20.203 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 7.530 -27.292 19.681 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 8.481 -26.792 20.781 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 11.172 -31.003 36.934 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 11.569 -31.011 37.811 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 11.798 -31.539 36.382 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 11.270 -17.675 0.812 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 11.646 -17.552 1.692 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.670 -18.520 0.495 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 9.014 -17.041 -5.421 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.287 -17.079 -6.344 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 9.864 -16.946 -4.921 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 12.281 -20.027 -0.076 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 12.859 -20.061 -0.842 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 11.488 -20.552 -0.350 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.327 -16.615 -4.107 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 12.222 -16.274 -4.194 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.127 -16.520 -3.144 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 8.843 -21.206 -3.510 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 8.353 -20.351 -3.490 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 9.401 -21.137 -4.292 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 10.119 -21.331 -1.026 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.683 -21.343 -1.898 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 9.390 -21.512 -0.392 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.902 -16.137 -1.456 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 11.045 -16.710 -0.671 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.411 -15.385 -1.111 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.009 -19.004 1.820 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.600 -18.527 1.207 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.504 -19.012 2.666 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 7.473 -22.735 3.231 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.297 -23.398 3.925 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 8.363 -22.389 3.459 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 8.091 -21.443 0.825 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 7.819 -21.953 1.610 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 8.309 -20.556 1.179 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.084 -14.748 11.212 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.449 -14.295 10.604 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.283 -15.596 10.751 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 13.462 -26.936 11.907 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 13.386 -25.989 11.760 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.756 -27.323 11.343 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 15.989 -20.756 10.223 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 15.063 -20.453 10.124 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 16.170 -21.243 9.390 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 15.015 -28.121 13.772 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.814 -27.595 13.668 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 14.382 -27.730 13.121 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 12.949 -16.793 15.687 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 12.344 -16.029 15.525 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 13.241 -17.052 14.791 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 8.791 -21.524 10.361 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 9.401 -21.692 9.610 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 8.118 -20.914 9.983 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 10.423 -17.185 13.678 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 10.706 -18.130 13.692 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 11.243 -16.699 13.496 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 6.002 -15.536 3.614 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 6.194 -16.388 3.158 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 6.542 -15.571 4.419 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 7.070 -19.757 9.148 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 6.196 -19.397 8.960 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.644 -19.365 8.447 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 16.174 -19.695 12.711 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 16.164 -18.751 12.437 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 16.304 -20.188 11.864 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.753 -20.788 15.557 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 14.702 -20.541 15.597 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.565 -20.856 14.598 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 10.891 -18.002 7.979 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 11.158 -17.500 7.186 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.971 -18.280 7.784 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 16.640 -15.166 13.868 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 16.502 -15.370 14.819 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 17.043 -14.293 13.871 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 11.792 -15.004 11.289 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.157 -14.498 11.838 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.456 -15.319 11.924 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 11.471 -27.780 10.164 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 11.689 -28.675 9.830 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 11.313 -27.254 9.345 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 13.503 -20.424 12.872 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 13.311 -20.422 11.907 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 14.462 -20.226 12.921 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 16.027 -22.025 7.733 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 15.121 -22.188 7.420 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 16.583 -22.313 7.001 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.439 -22.870 12.643 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 8.567 -22.539 11.722 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.635 -23.811 12.586 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 10.031 -21.631 7.959 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.609 -21.007 7.316 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 10.971 -21.349 7.980 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 13.355 -19.947 10.190 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.891 -19.085 10.267 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 13.075 -20.291 9.310 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.588 -20.660 7.697 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.032 -21.311 7.103 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.505 -19.862 7.156 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 15.251 -22.254 2.104 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 15.805 -21.912 1.395 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 14.348 -22.118 1.788 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 13.711 -22.548 6.120 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 14.489 -22.816 5.581 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 12.967 -23.059 5.734 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 11.930 -17.640 10.482 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 11.716 -16.696 10.619 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 11.520 -17.853 9.609 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 16.284 -19.732 15.428 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 17.200 -19.912 15.673 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 16.292 -19.744 14.441 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 10.672 -18.965 4.069 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.150 -19.364 4.800 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.026 -18.134 4.459 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 15.902 -17.051 12.082 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 16.323 -16.773 11.261 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 16.197 -16.379 12.744 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 6.345 -24.811 17.142 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 6.857 -24.075 17.537 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.350 -25.498 17.831 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 11.187 -16.653 5.522 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.317 -16.199 5.532 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.835 -15.932 5.708 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 15.823 -23.265 4.584 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 15.619 -22.837 3.722 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 16.292 -24.069 4.343 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.863 -21.763 4.170 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.414 -21.090 3.740 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.470 -21.290 4.946 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.955 -27.727 11.415 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.884 -27.767 11.109 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.985 -28.101 12.322 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.597 -15.777 6.048 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.393 -16.607 6.523 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.669 -15.106 6.758 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 13.977 -15.368 17.847 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 13.903 -15.966 18.604 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 13.520 -15.846 17.120 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.934 -22.402 17.557 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.087 -23.364 17.368 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 13.245 -21.944 16.745 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 10.380 -20.274 16.478 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 10.456 -21.038 17.100 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 10.577 -19.492 17.039 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 11.017 -19.736 13.855 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.905 -19.943 13.483 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 11.069 -20.043 14.787 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 16.384 -17.935 17.698 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 16.067 -18.519 16.988 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 16.578 -17.096 17.248 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 13.206 -25.043 17.405 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 12.905 -25.291 18.296 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.536 -25.884 17.016 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.941 -24.022 20.317 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 10.856 -24.377 20.262 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 9.502 -24.596 20.979 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 6.565 -17.578 1.863 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 6.525 -17.039 1.048 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.352 -18.145 1.739 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.658 -13.794 7.930 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 7.890 -13.861 8.544 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 8.400 -13.091 7.309 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 6.605 -12.014 7.080 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 6.326 -11.157 7.429 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 6.292 -12.656 7.747 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 7.868 -23.057 18.606 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 8.682 -22.699 18.196 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 8.196 -23.555 19.377 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.230 -17.012 12.861 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.812 -17.431 12.077 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 14.191 -17.042 12.661 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 16.454 -15.335 16.622 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 15.555 -15.231 17.009 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 17.029 -14.857 17.229 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 6.794 -12.415 16.555 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.114 -11.908 15.800 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.348 -11.749 17.118 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 13.440 -12.167 13.689 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 13.678 -12.816 13.022 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 13.609 -11.300 13.254 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 6.921 -14.068 13.518 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 7.249 -14.363 12.641 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 6.006 -13.809 13.353 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 7.827 -16.699 9.381 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 7.146 -16.174 8.945 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.063 -17.382 8.718 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 11.027 -26.592 7.707 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 10.569 -25.729 7.647 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 11.257 -26.802 6.780 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 9.725 -24.219 7.078 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.899 -24.225 6.547 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 9.748 -23.321 7.479 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 12.746 -14.535 6.307 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 12.268 -14.435 7.166 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 13.188 -13.694 6.186 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 11.499 -23.814 5.018 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 10.976 -24.029 5.821 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 10.953 -23.144 4.553 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 14.129 -27.400 16.349 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 14.415 -27.700 15.466 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 14.020 -28.227 16.859 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 10.321 -29.494 20.269 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 9.600 -28.840 20.123 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 10.600 -29.332 21.202 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 11.165 -22.182 24.347 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 11.899 -21.821 23.796 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 10.368 -21.857 23.917 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 8.505 -23.759 24.246 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.325 -23.221 25.041 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 9.338 -24.223 24.459 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 12.167 -25.517 27.078 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 11.738 -25.461 26.195 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 13.091 -25.786 26.878 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 8.710 -22.183 26.615 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 9.220 -21.415 26.328 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 9.330 -22.676 27.201 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 11.126 -24.711 30.745 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.547 -25.533 30.409 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 11.760 -24.367 31.384 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 10.645 -23.445 28.093 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 11.232 -24.036 27.581 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 10.874 -23.627 29.014 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 6.808 -18.183 22.111 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 6.842 -19.037 22.608 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 6.185 -18.365 21.364 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 14.000 -27.103 24.284 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 14.385 -26.875 25.154 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 13.595 -27.975 24.428 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 8.215 -17.983 33.203 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.571 -17.110 33.385 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 7.618 -17.845 32.432 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 5.157 -15.718 29.764 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 4.731 -15.140 30.423 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 4.418 -16.226 29.376 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.062 -10.226 25.474 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.322 -10.371 24.538 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 8.909 -10.002 25.923 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 12.461 -26.797 29.451 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.859 -27.584 29.009 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 12.205 -26.216 28.700 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 17.451 -26.349 27.181 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 18.075 -26.695 27.826 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 18.000 -25.867 26.552 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.394 -23.278 30.742 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.358 -23.283 30.724 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.156 -22.334 30.641 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 7.263 -20.370 18.760 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 7.983 -20.034 19.317 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 7.301 -21.344 18.879 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 11.026 -24.852 24.672 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.160 -23.873 24.656 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 11.571 -25.177 23.926 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 13.773 -22.054 20.091 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 13.455 -22.166 19.167 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 14.367 -21.271 20.041 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 13.091 -25.044 22.823 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 13.462 -25.884 23.189 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 13.633 -24.354 23.224 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 7.347 -20.471 30.839 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 7.358 -20.619 31.811 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 7.056 -19.542 30.747 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 7.701 -20.332 16.036 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 7.266 -20.301 16.914 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 8.657 -20.359 16.249 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 5.587 -26.068 33.342 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 4.638 -26.235 33.143 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 5.879 -26.880 33.812 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 13.308 -18.825 17.510 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 13.402 -19.625 16.951 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 13.235 -18.092 16.862 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.966 -15.721 20.562 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.375 -15.437 21.292 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.223 -14.882 20.117 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 8.990 -18.216 20.263 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 8.252 -18.299 20.895 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 9.424 -17.365 20.513 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.323 -12.763 18.393 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 13.668 -13.673 18.268 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 12.947 -12.529 17.513 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 12.617 -24.612 20.194 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 13.112 -23.771 20.135 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 12.776 -24.917 21.115 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 10.697 -18.181 18.156 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 11.648 -18.316 18.355 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.247 -18.320 19.020 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 10.433 -22.143 18.432 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 11.375 -22.293 18.182 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 10.302 -22.717 19.220 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 7.988 -15.695 22.499 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 7.468 -15.249 23.175 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 7.591 -16.592 22.441 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 14.966 -19.633 19.605 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 14.330 -19.274 18.954 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 15.806 -19.209 19.369 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 12.974 -21.215 22.580 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 13.435 -20.373 22.513 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 13.164 -21.659 21.725 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 14.719 -26.594 26.882 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 14.509 -27.399 27.395 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 15.685 -26.461 27.027 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 14.991 -32.032 32.038 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 15.339 -32.813 32.484 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 14.107 -32.308 31.726 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 8.006 -27.810 36.671 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 8.203 -28.779 36.756 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 8.380 -27.423 37.469 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 13.775 -30.041 33.517 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 13.857 -29.205 33.014 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 14.333 -30.675 33.015 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 5.577 -11.409 24.890 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 5.428 -12.059 25.605 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 6.407 -10.959 25.147 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 6.697 -20.476 23.572 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 6.157 -20.294 24.372 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 6.817 -21.432 23.580 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 4.752 -25.238 37.009 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 5.379 -25.897 37.323 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 3.902 -25.727 36.939 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 5.259 -19.761 25.825 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 5.735 -19.988 26.659 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 5.354 -18.798 25.749 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 10.648 -29.032 22.898 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 10.775 -29.620 23.667 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 9.855 -28.512 23.127 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 10.702 -13.483 19.089 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 11.635 -13.199 19.081 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 10.360 -13.190 18.237 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 8.660 -25.562 22.149 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 8.825 -26.340 22.716 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 8.437 -24.846 22.786 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 9.274 -27.507 34.247 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 8.822 -27.481 35.114 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 10.063 -28.071 34.407 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 11.325 -29.272 34.755 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 12.195 -29.491 34.359 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 11.324 -29.753 35.608 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 13.789 -10.332 19.522 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.588 -11.217 19.138 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 14.637 -10.453 19.956 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 12.110 -12.177 16.048 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 12.647 -12.104 15.221 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 11.760 -11.264 16.187 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.967 -9.795 12.457 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 13.947 -9.433 11.564 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 14.336 -9.085 12.994 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.474 -14.650 14.979 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 10.959 -14.320 14.215 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 11.716 -13.838 15.469 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 8.680 -9.517 14.789 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 9.434 -9.588 14.194 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 7.895 -9.567 14.188 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 11.339 -14.264 8.577 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 10.375 -14.132 8.460 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 11.432 -14.547 9.505 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 11.106 -9.708 16.537 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 11.294 -9.222 17.359 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 10.181 -9.495 16.339 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 12.128 -8.330 18.867 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 12.679 -9.109 19.136 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 12.771 -7.691 18.539 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.381 -7.791 23.317 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 7.890 -8.603 23.503 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 6.900 -7.609 24.162 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 9.469 -7.648 18.808 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 10.423 -7.877 18.851 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 9.239 -7.408 19.731 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 4.179 -11.561 19.839 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 3.549 -12.144 19.367 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 4.656 -11.099 19.120 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 7.223 -9.441 27.967 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 7.325 -9.603 27.006 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 7.791 -10.098 28.377 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 8.839 -10.218 22.885 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.651 -9.712 22.637 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 8.767 -10.895 22.202 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 10.335 -9.394 26.748 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 10.277 -8.673 27.384 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 11.249 -9.371 26.443 1.00 0.00 WAT1 END