REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1269.68, 66.1106, 88.74, 37.575, 404.403, -371.7, -1498.09, 2.94492, 0.339338 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.90893E-03,0.482563,1.21427,42.9125,4.924224E-03,0.239628 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 11 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:29 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -6.988 2.020 0.691 1.00 0.52 ATOM 2 CB MET 1 -6.384 0.505 2.088 1.00 5.01 ATOM 3 HB1 MET 1 -5.541 0.171 1.498 1.00 38.53 ATOM 4 HB2 MET 1 -6.830 -0.350 2.576 1.00 45.32 ATOM 5 CG MET 1 -5.864 1.451 3.164 1.00 12.12 ATOM 6 HG1 MET 1 -5.098 0.943 3.733 1.00 38.53 ATOM 7 HG2 MET 1 -6.681 1.715 3.820 1.00 23.11 ATOM 8 SD MET 1 -5.163 2.966 2.475 1.00 34.02 ATOM 9 CE MET 1 -4.692 3.837 3.968 1.00 74.04 ATOM 10 HE1 MET 1 -5.569 4.015 4.573 1.00 31.25 ATOM 11 HE2 MET 1 -4.239 4.782 3.707 1.00 24.00 ATOM 12 HE3 MET 1 -3.986 3.241 4.527 1.00 12.01 ATOM 13 C MET 1 -7.822 0.152 0.050 1.00 0.45 ATOM 14 O MET 1 -8.802 -0.579 0.190 1.00 63.53 ATOM 15 N MET 1 -8.615 1.588 1.935 1.00 43.22 ATOM 16 HT1 MET 1 -8.329 2.233 2.699 1.00 38.53 ATOM 17 HT2 MET 1 -9.099 0.767 2.355 1.00 38.53 ATOM 18 HT3 MET 1 -9.286 2.084 1.312 1.00 38.53 ATOM 19 CA MET 1 -7.423 1.145 1.156 1.00 54.43 ATOM 20 N GLY 2 -7.054 0.121 -1.041 1.00 0.24 ATOM 21 HN GLY 2 -6.259 0.697 -1.083 1.00 38.53 ATOM 22 CA GLY 2 -7.383 -0.741 -2.178 1.00 73.55 ATOM 23 HA1 GLY 2 -6.936 -0.315 -3.065 1.00 38.53 ATOM 24 HA2 GLY 2 -8.457 -0.752 -2.309 1.00 11.23 ATOM 25 C GLY 2 -6.894 -2.185 -2.035 1.00 74.31 ATOM 26 O GLY 2 -6.883 -2.934 -3.010 1.00 0.20 ATOM 27 N HIS 3 -6.479 -2.572 -0.825 1.00 61.13 ATOM 28 HN HIS 3 -6.457 -1.911 -0.103 1.00 38.53 ATOM 29 CA HIS 3 -6.049 -3.955 -0.537 1.00 60.31 ATOM 30 HA HIS 3 -5.803 -4.001 0.515 1.00 44.13 ATOM 31 CB HIS 3 -7.195 -4.945 -0.814 1.00 11.25 ATOM 32 HB1 HIS 3 -6.861 -5.946 -0.582 1.00 38.53 ATOM 33 HB2 HIS 3 -7.461 -4.895 -1.859 1.00 73.55 ATOM 34 CG HIS 3 -8.432 -4.677 -0.015 1.00 63.44 ATOM 35 ND1 HIS 3 -8.691 -5.276 1.197 1.00 20.34 ATOM 36 HD1 HIS 3 -8.112 -5.930 1.649 1.00 41.34 ATOM 37 CD2 HIS 3 -9.485 -3.866 -0.261 1.00 2.44 ATOM 38 HD2 HIS 3 -9.620 -3.238 -1.130 1.00 20.34 ATOM 39 CE1 HIS 3 -9.844 -4.844 1.661 1.00 52.22 ATOM 40 HE1 HIS 3 -10.301 -5.143 2.593 1.00 1.42 ATOM 41 NE2 HIS 3 -10.348 -3.988 0.797 1.00 75.32 ATOM 42 HE2 HIS 3 -11.056 -3.340 1.013 1.00 38.53 ATOM 43 C HIS 3 -4.797 -4.369 -1.343 1.00 22.22 ATOM 44 O HIS 3 -4.520 -5.558 -1.503 1.00 61.52 ATOM 45 N HIS 4 -4.026 -3.390 -1.815 1.00 51.02 ATOM 46 HN HIS 4 -4.257 -2.459 -1.606 1.00 38.53 ATOM 47 CA HIS 4 -2.831 -3.671 -2.628 1.00 31.24 ATOM 48 HA HIS 4 -3.122 -4.389 -3.384 1.00 11.22 ATOM 49 CB HIS 4 -2.342 -2.400 -3.334 1.00 1.44 ATOM 50 HB1 HIS 4 -1.346 -2.569 -3.719 1.00 38.53 ATOM 51 HB2 HIS 4 -2.311 -1.588 -2.621 1.00 0.55 ATOM 52 CG HIS 4 -3.212 -1.975 -4.479 1.00 0.15 ATOM 53 ND1 HIS 4 -2.965 -2.347 -5.782 1.00 42.55 ATOM 54 HD1 HIS 4 -2.220 -2.910 -6.085 1.00 22.31 ATOM 55 CD2 HIS 4 -4.329 -1.211 -4.517 1.00 35.15 ATOM 56 HD2 HIS 4 -4.815 -0.744 -3.672 1.00 3.34 ATOM 57 CE1 HIS 4 -3.885 -1.832 -6.569 1.00 1.14 ATOM 58 HE1 HIS 4 -3.943 -1.956 -7.640 1.00 41.14 ATOM 59 NE2 HIS 4 -4.726 -1.139 -5.828 1.00 52.53 ATOM 60 HE2 HIS 4 -5.602 -0.823 -6.133 1.00 38.53 ATOM 61 C HIS 4 -1.687 -4.288 -1.802 1.00 74.41 ATOM 62 O HIS 4 -0.719 -4.799 -2.365 1.00 23.14 ATOM 63 N HIS 5 -1.791 -4.232 -0.476 1.00 72.44 ATOM 64 HN HIS 5 -2.560 -3.770 -0.075 1.00 38.53 ATOM 65 CA HIS 5 -0.777 -4.837 0.397 1.00 21.33 ATOM 66 HA HIS 5 0.189 -4.654 -0.056 1.00 24.44 ATOM 67 CB HIS 5 -0.794 -4.181 1.783 1.00 1.04 ATOM 68 HB1 HIS 5 -0.173 -4.754 2.457 1.00 38.53 ATOM 69 HB2 HIS 5 -1.806 -4.170 2.159 1.00 43.41 ATOM 70 CG HIS 5 -0.290 -2.769 1.773 1.00 53.50 ATOM 71 ND1 HIS 5 -0.872 -1.747 2.491 1.00 44.53 ATOM 72 HD1 HIS 5 -1.662 -1.827 3.069 1.00 35.04 ATOM 73 CD2 HIS 5 0.767 -2.216 1.131 1.00 72.10 ATOM 74 HD2 HIS 5 1.460 -2.727 0.478 1.00 10.24 ATOM 75 CE1 HIS 5 -0.202 -0.632 2.289 1.00 55.35 ATOM 76 HE1 HIS 5 -0.428 0.329 2.727 1.00 45.20 ATOM 77 NE2 HIS 5 0.797 -0.889 1.471 1.00 21.42 ATOM 78 HE2 HIS 5 1.529 -0.270 1.266 1.00 38.53 ATOM 79 C HIS 5 -0.963 -6.360 0.522 1.00 34.23 ATOM 80 O HIS 5 -0.003 -7.121 0.400 1.00 41.23 ATOM 81 N HIS 6 -2.201 -6.804 0.748 1.00 65.44 ATOM 82 HN HIS 6 -2.938 -6.159 0.799 1.00 38.53 ATOM 83 CA HIS 6 -2.490 -8.240 0.899 1.00 52.13 ATOM 84 HA HIS 6 -1.803 -8.774 0.257 1.00 21.03 ATOM 85 CB HIS 6 -2.250 -8.691 2.352 1.00 54.01 ATOM 86 HB1 HIS 6 -1.198 -8.587 2.580 1.00 38.53 ATOM 87 HB2 HIS 6 -2.526 -9.730 2.450 1.00 13.30 ATOM 88 CG HIS 6 -3.020 -7.916 3.383 1.00 62.02 ATOM 89 ND1 HIS 6 -2.414 -7.121 4.329 1.00 34.41 ATOM 90 HD1 HIS 6 -1.444 -6.974 4.422 1.00 40.43 ATOM 91 CD2 HIS 6 -4.350 -7.833 3.633 1.00 62.10 ATOM 92 HD2 HIS 6 -5.138 -8.331 3.087 1.00 20.42 ATOM 93 CE1 HIS 6 -3.327 -6.584 5.108 1.00 61.22 ATOM 94 HE1 HIS 6 -3.137 -5.917 5.936 1.00 23.52 ATOM 95 NE2 HIS 6 -4.508 -6.998 4.709 1.00 65.21 ATOM 96 HE2 HIS 6 -5.362 -6.643 5.032 1.00 38.53 ATOM 97 C HIS 6 -3.922 -8.593 0.462 1.00 51.43 ATOM 98 O HIS 6 -4.843 -7.790 0.610 1.00 63.51 ATOM 99 N HIS 7 -4.101 -9.806 -0.066 1.00 31.43 ATOM 100 HN HIS 7 -3.323 -10.396 -0.171 1.00 38.53 ATOM 101 CA HIS 7 -5.429 -10.283 -0.494 1.00 1.23 ATOM 102 HA HIS 7 -6.048 -9.410 -0.655 1.00 34.01 ATOM 103 CB HIS 7 -5.328 -11.060 -1.820 1.00 50.22 ATOM 104 HB1 HIS 7 -4.965 -10.391 -2.589 1.00 38.53 ATOM 105 HB2 HIS 7 -6.311 -11.409 -2.098 1.00 63.41 ATOM 106 CG HIS 7 -4.419 -12.251 -1.781 1.00 1.10 ATOM 107 ND1 HIS 7 -4.875 -13.540 -1.625 1.00 60.15 ATOM 108 HD1 HIS 7 -5.814 -13.808 -1.531 1.00 52.30 ATOM 109 CD2 HIS 7 -3.073 -12.348 -1.889 1.00 34.42 ATOM 110 HD2 HIS 7 -2.379 -11.529 -2.029 1.00 62.22 ATOM 111 CE1 HIS 7 -3.855 -14.374 -1.637 1.00 62.33 ATOM 112 HE1 HIS 7 -3.916 -15.447 -1.540 1.00 13.44 ATOM 113 NE2 HIS 7 -2.753 -13.677 -1.795 1.00 62.32 ATOM 114 HE2 HIS 7 -1.867 -14.060 -1.974 1.00 38.53 ATOM 115 C HIS 7 -6.095 -11.146 0.599 1.00 34.44 ATOM 116 O HIS 7 -5.511 -12.116 1.084 1.00 1.22 ATOM 117 N HIS 8 -7.331 -10.799 0.965 1.00 33.02 ATOM 118 HN HIS 8 -7.796 -10.104 0.452 1.00 38.53 ATOM 119 CA HIS 8 -8.022 -11.424 2.111 1.00 0.10 ATOM 120 HA HIS 8 -7.278 -11.611 2.872 1.00 54.25 ATOM 121 CB HIS 8 -9.067 -10.452 2.689 1.00 45.14 ATOM 122 HB1 HIS 8 -8.567 -9.544 3.001 1.00 38.53 ATOM 123 HB2 HIS 8 -9.533 -10.906 3.551 1.00 60.24 ATOM 124 CG HIS 8 -10.159 -10.069 1.731 1.00 55.15 ATOM 125 ND1 HIS 8 -11.186 -10.918 1.378 1.00 73.32 ATOM 126 HD1 HIS 8 -11.310 -11.840 1.703 1.00 34.40 ATOM 127 CD2 HIS 8 -10.386 -8.917 1.058 1.00 4.31 ATOM 128 HD2 HIS 8 -9.777 -8.024 1.092 1.00 24.23 ATOM 129 CE1 HIS 8 -11.990 -10.308 0.531 1.00 54.21 ATOM 130 HE1 HIS 8 -12.876 -10.733 0.085 1.00 43.53 ATOM 131 NE2 HIS 8 -11.527 -9.094 0.322 1.00 22.33 ATOM 132 HE2 HIS 8 -11.880 -8.460 -0.340 1.00 38.53 ATOM 133 C HIS 8 -8.694 -12.770 1.761 1.00 21.14 ATOM 134 O HIS 8 -9.750 -13.101 2.303 1.00 54.20 ATOM 135 N SER 9 -8.069 -13.558 0.889 1.00 71.25 ATOM 136 HN SER 9 -7.225 -13.257 0.493 1.00 38.53 ATOM 137 CA SER 9 -8.609 -14.878 0.515 1.00 4.43 ATOM 138 HA SER 9 -8.977 -15.350 1.416 1.00 1.12 ATOM 139 CB SER 9 -9.770 -14.735 -0.475 1.00 41.42 ATOM 140 HB1 SER 9 -9.432 -14.198 -1.350 1.00 38.53 ATOM 141 HB2 SER 9 -10.577 -14.190 -0.007 1.00 22.52 ATOM 142 OG SER 9 -10.254 -16.008 -0.879 1.00 23.03 ATOM 143 HG SER 9 -11.217 -16.009 -0.846 1.00 40.44 ATOM 144 C SER 9 -7.532 -15.775 -0.101 1.00 3.25 ATOM 145 O SER 9 -6.603 -15.290 -0.740 1.00 42.52 ATOM 146 N HIS 10 -7.672 -17.088 0.094 1.00 21.41 ATOM 147 HN HIS 10 -8.448 -17.408 0.603 1.00 38.53 ATOM 148 CA HIS 10 -6.716 -18.077 -0.435 1.00 14.32 ATOM 149 HA HIS 10 -6.943 -19.018 0.043 1.00 53.50 ATOM 150 CB HIS 10 -6.910 -18.251 -1.948 1.00 42.03 ATOM 151 HB1 HIS 10 -6.088 -18.829 -2.349 1.00 38.53 ATOM 152 HB2 HIS 10 -6.921 -17.279 -2.419 1.00 11.45 ATOM 153 CG HIS 10 -8.182 -18.951 -2.312 1.00 1.52 ATOM 154 ND1 HIS 10 -8.250 -20.310 -2.525 1.00 74.41 ATOM 155 HD1 HIS 10 -7.495 -20.936 -2.476 1.00 10.22 ATOM 156 CD2 HIS 10 -9.439 -18.483 -2.496 1.00 14.30 ATOM 157 HD2 HIS 10 -9.759 -17.454 -2.415 1.00 22.24 ATOM 158 CE1 HIS 10 -9.486 -20.647 -2.824 1.00 72.04 ATOM 159 HE1 HIS 10 -9.835 -21.648 -3.034 1.00 64.52 ATOM 160 NE2 HIS 10 -10.228 -19.560 -2.812 1.00 54.13 ATOM 161 HE2 HIS 10 -11.208 -19.551 -2.853 1.00 38.53 ATOM 162 C HIS 10 -5.243 -17.734 -0.121 1.00 53.53 ATOM 163 O HIS 10 -4.436 -17.530 -1.032 1.00 3.42 ATOM 164 N PRO 11 -4.873 -17.662 1.173 1.00 75.32 ATOM 165 CA PRO 11 -3.478 -17.483 1.582 1.00 70.15 ATOM 166 HA PRO 11 -2.945 -16.818 0.916 1.00 44.40 ATOM 167 CB PRO 11 -3.627 -16.837 2.961 1.00 40.22 ATOM 168 HB1 PRO 11 -3.727 -15.765 2.852 1.00 38.53 ATOM 169 HB2 PRO 11 -2.760 -17.063 3.569 1.00 74.41 ATOM 170 CG PRO 11 -4.873 -17.449 3.522 1.00 4.25 ATOM 171 HG1 PRO 11 -5.352 -16.756 4.199 1.00 38.53 ATOM 172 HG2 PRO 11 -4.628 -18.367 4.039 1.00 12.54 ATOM 173 CD PRO 11 -5.777 -17.738 2.342 1.00 52.34 ATOM 174 HD1 PRO 11 -6.558 -16.993 2.272 1.00 38.53 ATOM 175 HD2 PRO 11 -6.208 -18.726 2.427 1.00 52.22 ATOM 176 C PRO 11 -2.737 -18.829 1.681 1.00 72.01 ATOM 177 O PRO 11 -3.249 -19.786 2.270 1.00 31.12 ATOM 178 N ASN 12 -1.542 -18.909 1.105 1.00 4.31 ATOM 179 HN ASN 12 -1.175 -18.120 0.650 1.00 38.53 ATOM 180 CA ASN 12 -0.764 -20.157 1.121 1.00 43.14 ATOM 181 HA ASN 12 -1.381 -20.933 0.689 1.00 71.03 ATOM 182 CB ASN 12 0.510 -20.011 0.278 1.00 52.04 ATOM 183 HB1 ASN 12 1.018 -20.965 0.240 1.00 38.53 ATOM 184 HB2 ASN 12 1.159 -19.284 0.743 1.00 31.54 ATOM 185 CG ASN 12 0.230 -19.556 -1.145 1.00 10.11 ATOM 186 OD1 ASN 12 -0.661 -18.751 -1.396 1.00 15.14 ATOM 187 ND2 ASN 12 0.982 -20.077 -2.091 1.00 13.21 ATOM 188 HD21 ASN 12 1.670 -20.722 -1.834 1.00 54.14 ATOM 189 HD22 ASN 12 0.824 -19.792 -3.012 1.00 51.13 ATOM 190 C ASN 12 -0.395 -20.574 2.558 1.00 50.00 ATOM 191 O ASN 12 -0.645 -19.832 3.513 1.00 2.13 ATOM 192 N GLU 13 0.201 -21.759 2.702 1.00 33.15 ATOM 193 HN GLU 13 0.356 -22.311 1.905 1.00 38.53 ATOM 194 CA GLU 13 0.613 -22.282 4.016 1.00 73.14 ATOM 195 HA GLU 13 -0.282 -22.545 4.563 1.00 1.10 ATOM 196 CB GLU 13 1.472 -23.542 3.828 1.00 21.53 ATOM 197 HB1 GLU 13 2.362 -23.277 3.273 1.00 38.53 ATOM 198 HB2 GLU 13 0.907 -24.263 3.255 1.00 64.21 ATOM 199 CG GLU 13 1.902 -24.206 5.132 1.00 14.33 ATOM 200 HG1 GLU 13 1.028 -24.622 5.615 1.00 38.53 ATOM 201 HG2 GLU 13 2.342 -23.457 5.777 1.00 23.42 ATOM 202 CD GLU 13 2.914 -25.320 4.911 1.00 40.44 ATOM 203 OE1 GLU 13 2.503 -26.436 4.527 1.00 70.03 ATOM 204 OE2 GLU 13 4.125 -25.080 5.108 1.00 40.21 ATOM 205 C GLU 13 1.400 -21.234 4.821 1.00 71.41 ATOM 206 O GLU 13 1.063 -20.928 5.965 1.00 30.24 ATOM 207 N GLU 14 2.433 -20.679 4.196 1.00 33.33 ATOM 208 HN GLU 14 2.634 -20.960 3.281 1.00 38.53 ATOM 209 CA GLU 14 3.291 -19.671 4.831 1.00 61.54 ATOM 210 HA GLU 14 3.731 -20.118 5.711 1.00 54.24 ATOM 211 CB GLU 14 4.415 -19.283 3.858 1.00 5.03 ATOM 212 HB1 GLU 14 5.105 -18.624 4.364 1.00 38.53 ATOM 213 HB2 GLU 14 3.985 -18.761 3.013 1.00 34.13 ATOM 214 CG GLU 14 5.200 -20.485 3.330 1.00 24.34 ATOM 215 HG1 GLU 14 4.505 -21.180 2.878 1.00 38.53 ATOM 216 HG2 GLU 14 5.691 -20.969 4.162 1.00 61.42 ATOM 217 CD GLU 14 6.253 -20.111 2.295 1.00 21.34 ATOM 218 OE1 GLU 14 5.877 -19.763 1.155 1.00 73.34 ATOM 219 OE2 GLU 14 7.459 -20.201 2.603 1.00 40.42 ATOM 220 C GLU 14 2.492 -18.422 5.255 1.00 23.21 ATOM 221 O GLU 14 2.587 -17.970 6.396 1.00 41.04 ATOM 222 N ALA 15 1.687 -17.890 4.333 1.00 63.31 ATOM 223 HN ALA 15 1.625 -18.321 3.457 1.00 38.53 ATOM 224 CA ALA 15 0.894 -16.677 4.585 1.00 34.32 ATOM 225 HA ALA 15 1.581 -15.882 4.846 1.00 51.32 ATOM 226 CB ALA 15 0.161 -16.262 3.315 1.00 3.02 ATOM 227 HB1 ALA 15 -0.377 -15.342 3.491 1.00 1.31 ATOM 228 HB2 ALA 15 -0.536 -17.037 3.031 1.00 25.32 ATOM 229 HB3 ALA 15 0.875 -16.113 2.517 1.00 70.14 ATOM 230 C ALA 15 -0.109 -16.862 5.739 1.00 44.11 ATOM 231 O ALA 15 -0.188 -16.031 6.646 1.00 21.11 ATOM 232 N ARG 16 -0.881 -17.950 5.699 1.00 21.41 ATOM 233 HN ARG 16 -0.794 -18.570 4.945 1.00 38.53 ATOM 234 CA ARG 16 -1.857 -18.235 6.762 1.00 22.14 ATOM 235 HA ARG 16 -2.477 -17.355 6.875 1.00 51.12 ATOM 236 CB ARG 16 -2.754 -19.424 6.379 1.00 0.54 ATOM 237 HB1 ARG 16 -3.208 -19.216 5.421 1.00 38.53 ATOM 238 HB2 ARG 16 -3.537 -19.520 7.120 1.00 50.25 ATOM 239 CG ARG 16 -2.022 -20.760 6.281 1.00 30.41 ATOM 240 HG1 ARG 16 -1.654 -21.031 7.262 1.00 38.53 ATOM 241 HG2 ARG 16 -1.187 -20.653 5.603 1.00 13.35 ATOM 242 CD ARG 16 -2.930 -21.875 5.767 1.00 42.03 ATOM 243 HD1 ARG 16 -3.792 -21.950 6.414 1.00 38.53 ATOM 244 HD2 ARG 16 -2.383 -22.807 5.791 1.00 53.14 ATOM 245 NE ARG 16 -3.382 -21.625 4.398 1.00 71.32 ATOM 246 HE ARG 16 -3.089 -20.798 3.968 1.00 22.31 ATOM 247 CZ ARG 16 -4.147 -22.434 3.714 1.00 53.14 ATOM 248 NH1 ARG 16 -4.561 -23.546 4.226 1.00 35.44 ATOM 249 HH11 ARG 16 -4.298 -23.799 5.151 1.00 13.13 ATOM 250 HH12 ARG 16 -5.156 -24.145 3.695 1.00 34.12 ATOM 251 NH2 ARG 16 -4.487 -22.126 2.508 1.00 5.10 ATOM 252 HH21 ARG 16 -4.165 -21.274 2.103 1.00 15.11 ATOM 253 HH22 ARG 16 -5.063 -22.748 1.981 1.00 54.44 ATOM 254 C ARG 16 -1.146 -18.498 8.099 1.00 21.03 ATOM 255 O ARG 16 -1.662 -18.174 9.172 1.00 73.53 ATOM 256 N LEU 17 0.046 -19.087 8.015 1.00 31.15 ATOM 257 HN LEU 17 0.370 -19.377 7.136 1.00 38.53 ATOM 258 CA LEU 17 0.889 -19.319 9.187 1.00 73.04 ATOM 259 HA LEU 17 0.312 -19.895 9.898 1.00 4.13 ATOM 260 CB LEU 17 2.127 -20.134 8.776 1.00 14.02 ATOM 261 HB1 LEU 17 2.623 -19.607 7.974 1.00 38.53 ATOM 262 HB2 LEU 17 1.789 -21.088 8.395 1.00 42.23 ATOM 263 CG LEU 17 3.159 -20.398 9.885 1.00 30.41 ATOM 264 HG LEU 17 3.577 -19.459 10.201 1.00 12.34 ATOM 265 CD1 LEU 17 2.507 -21.043 11.099 1.00 72.12 ATOM 266 HD11 LEU 17 2.053 -21.980 10.813 1.00 31.31 ATOM 267 HD12 LEU 17 1.751 -20.380 11.496 1.00 72.25 ATOM 268 HD13 LEU 17 3.257 -21.222 11.856 1.00 52.41 ATOM 269 CD2 LEU 17 4.303 -21.266 9.363 1.00 53.52 ATOM 270 HD21 LEU 17 3.915 -22.225 9.051 1.00 61.21 ATOM 271 HD22 LEU 17 5.032 -21.410 10.147 1.00 50.21 ATOM 272 HD23 LEU 17 4.773 -20.778 8.521 1.00 20.11 ATOM 273 C LEU 17 1.302 -17.989 9.847 1.00 40.23 ATOM 274 O LEU 17 1.335 -17.881 11.074 1.00 44.40 ATOM 275 N ASP 18 1.608 -16.978 9.028 1.00 52.24 ATOM 276 HN ASP 18 1.619 -17.135 8.058 1.00 38.53 ATOM 277 CA ASP 18 1.940 -15.639 9.538 1.00 41.40 ATOM 278 HA ASP 18 2.818 -15.741 10.159 1.00 64.31 ATOM 279 CB ASP 18 2.264 -14.684 8.383 1.00 30.31 ATOM 280 HB1 ASP 18 2.259 -13.665 8.749 1.00 38.53 ATOM 281 HB2 ASP 18 1.508 -14.787 7.617 1.00 24.33 ATOM 282 CG ASP 18 3.622 -14.963 7.766 1.00 22.20 ATOM 283 OD1 ASP 18 3.707 -15.113 6.531 1.00 42.32 ATOM 284 OD2 ASP 18 4.619 -15.017 8.520 1.00 14.32 ATOM 285 C ASP 18 0.806 -15.056 10.398 1.00 40.44 ATOM 286 O ASP 18 1.054 -14.456 11.448 1.00 2.53 ATOM 287 N ILE 19 -0.434 -15.236 9.951 1.00 10.04 ATOM 288 HN ILE 19 -0.569 -15.701 9.098 1.00 38.53 ATOM 289 CA ILE 19 -1.602 -14.759 10.700 1.00 22.53 ATOM 290 HA ILE 19 -1.521 -13.684 10.799 1.00 12.01 ATOM 291 CB ILE 19 -2.923 -15.089 9.958 1.00 15.33 ATOM 292 HB ILE 19 -3.092 -16.155 10.032 1.00 32.01 ATOM 293 CG1 ILE 19 -2.830 -14.697 8.473 1.00 4.01 ATOM 294 HG11 ILE 19 -1.936 -15.131 8.047 1.00 38.53 ATOM 295 HG12 ILE 19 -2.776 -13.622 8.389 1.00 73.42 ATOM 296 CG2 ILE 19 -4.102 -14.379 10.627 1.00 2.05 ATOM 297 HG21 ILE 19 -4.182 -14.702 11.655 1.00 23.33 ATOM 298 HG22 ILE 19 -5.016 -14.624 10.104 1.00 64.12 ATOM 299 HG23 ILE 19 -3.947 -13.309 10.597 1.00 51.30 ATOM 300 CD1 ILE 19 -4.012 -15.167 7.648 1.00 23.52 ATOM 301 HD11 ILE 19 -4.097 -16.243 7.723 1.00 75.40 ATOM 302 HD12 ILE 19 -3.863 -14.889 6.615 1.00 63.04 ATOM 303 HD13 ILE 19 -4.916 -14.709 8.018 1.00 64.41 ATOM 304 C ILE 19 -1.643 -15.394 12.102 1.00 63.34 ATOM 305 O ILE 19 -1.881 -14.713 13.105 1.00 24.01 ATOM 306 N LEU 20 -1.402 -16.705 12.155 1.00 12.02 ATOM 307 HN LEU 20 -1.263 -17.193 11.315 1.00 38.53 ATOM 308 CA LEU 20 -1.337 -17.445 13.421 1.00 63.41 ATOM 309 HA LEU 20 -2.292 -17.333 13.915 1.00 71.43 ATOM 310 CB LEU 20 -1.101 -18.939 13.138 1.00 50.13 ATOM 311 HB1 LEU 20 -0.854 -19.430 14.069 1.00 38.53 ATOM 312 HB2 LEU 20 -0.253 -19.026 12.470 1.00 65.00 ATOM 313 CG LEU 20 -2.297 -19.676 12.505 1.00 74.02 ATOM 314 HG LEU 20 -2.712 -19.061 11.718 1.00 23.43 ATOM 315 CD1 LEU 20 -1.868 -21.002 11.880 1.00 53.11 ATOM 316 HD11 LEU 20 -1.117 -20.817 11.125 1.00 4.13 ATOM 317 HD12 LEU 20 -2.725 -21.476 11.421 1.00 31.31 ATOM 318 HD13 LEU 20 -1.462 -21.650 12.642 1.00 0.04 ATOM 319 CD2 LEU 20 -3.396 -19.908 13.545 1.00 54.53 ATOM 320 HD21 LEU 20 -3.006 -20.507 14.356 1.00 52.13 ATOM 321 HD22 LEU 20 -4.228 -20.422 13.086 1.00 2.22 ATOM 322 HD23 LEU 20 -3.733 -18.957 13.931 1.00 20.54 ATOM 323 C LEU 20 -0.239 -16.890 14.343 1.00 42.32 ATOM 324 O LEU 20 -0.472 -16.675 15.534 1.00 23.33 ATOM 325 N LYS 21 0.948 -16.640 13.782 1.00 5.00 ATOM 326 HN LYS 21 1.075 -16.853 12.832 1.00 38.53 ATOM 327 CA LYS 21 2.067 -16.059 14.544 1.00 62.44 ATOM 328 HA LYS 21 2.386 -16.781 15.282 1.00 3.12 ATOM 329 CB LYS 21 3.244 -15.732 13.613 1.00 43.14 ATOM 330 HB1 LYS 21 4.050 -15.327 14.210 1.00 38.53 ATOM 331 HB2 LYS 21 2.923 -14.974 12.913 1.00 42.13 ATOM 332 CG LYS 21 3.797 -16.907 12.809 1.00 63.32 ATOM 333 HG1 LYS 21 2.982 -17.410 12.307 1.00 38.53 ATOM 334 HG2 LYS 21 4.294 -17.594 13.480 1.00 74.32 ATOM 335 CD LYS 21 4.798 -16.408 11.765 1.00 64.34 ATOM 336 HD1 LYS 21 5.635 -15.949 12.275 1.00 38.53 ATOM 337 HD2 LYS 21 4.309 -15.670 11.149 1.00 20.40 ATOM 338 CE LYS 21 5.318 -17.515 10.861 1.00 42.45 ATOM 339 HE1 LYS 21 4.479 -18.019 10.412 1.00 38.53 ATOM 340 HE2 LYS 21 5.886 -18.216 11.454 1.00 20.31 ATOM 341 NZ LYS 21 6.187 -16.974 9.782 1.00 34.50 ATOM 342 HZ1 LYS 21 5.648 -16.304 9.194 1.00 33.24 ATOM 343 HZ2 LYS 21 6.530 -17.743 9.173 1.00 11.54 ATOM 344 HZ3 LYS 21 7.003 -16.478 10.190 1.00 22.42 ATOM 345 C LYS 21 1.650 -14.755 15.252 1.00 32.41 ATOM 346 O LYS 21 1.758 -14.621 16.472 1.00 12.14 ATOM 347 N ILE 22 1.171 -13.798 14.458 1.00 34.45 ATOM 348 HN ILE 22 1.029 -14.004 13.507 1.00 38.53 ATOM 349 CA ILE 22 0.854 -12.450 14.945 1.00 44.24 ATOM 350 HA ILE 22 1.753 -12.040 15.384 1.00 63.44 ATOM 351 CB ILE 22 0.434 -11.530 13.769 1.00 34.44 ATOM 352 HB ILE 22 -0.459 -11.943 13.320 1.00 20.33 ATOM 353 CG1 ILE 22 1.548 -11.475 12.707 1.00 34.41 ATOM 354 HG11 ILE 22 1.767 -12.480 12.374 1.00 38.53 ATOM 355 HG12 ILE 22 2.438 -11.047 13.147 1.00 12.30 ATOM 356 CG2 ILE 22 0.102 -10.125 14.273 1.00 1.55 ATOM 357 HG21 ILE 22 -0.188 -9.499 13.441 1.00 11.21 ATOM 358 HG22 ILE 22 0.970 -9.699 14.757 1.00 32.10 ATOM 359 HG23 ILE 22 -0.713 -10.178 14.981 1.00 71.13 ATOM 360 CD1 ILE 22 1.197 -10.648 11.485 1.00 60.31 ATOM 361 HD11 ILE 22 0.324 -11.065 11.005 1.00 32.34 ATOM 362 HD12 ILE 22 2.026 -10.659 10.794 1.00 54.40 ATOM 363 HD13 ILE 22 0.992 -9.630 11.784 1.00 15.21 ATOM 364 C ILE 22 -0.258 -12.447 16.012 1.00 13.41 ATOM 365 O ILE 22 -0.176 -11.726 17.006 1.00 52.52 ATOM 366 N HIS 23 -1.289 -13.257 15.812 1.00 10.05 ATOM 367 HN HIS 23 -1.262 -13.890 15.061 1.00 38.53 ATOM 368 CA HIS 23 -2.464 -13.232 16.692 1.00 21.21 ATOM 369 HA HIS 23 -2.638 -12.198 16.958 1.00 40.21 ATOM 370 CB HIS 23 -3.697 -13.740 15.930 1.00 53.35 ATOM 371 HB1 HIS 23 -4.505 -13.903 16.631 1.00 38.53 ATOM 372 HB2 HIS 23 -3.454 -14.676 15.447 1.00 12.33 ATOM 373 CG HIS 23 -4.186 -12.788 14.874 1.00 72.01 ATOM 374 ND1 HIS 23 -5.382 -12.109 14.974 1.00 24.15 ATOM 375 HD1 HIS 23 -6.017 -12.174 15.721 1.00 2.50 ATOM 376 CD2 HIS 23 -3.638 -12.399 13.695 1.00 54.12 ATOM 377 HD2 HIS 23 -2.695 -12.731 13.285 1.00 42.15 ATOM 378 CE1 HIS 23 -5.549 -11.349 13.910 1.00 55.23 ATOM 379 HE1 HIS 23 -6.395 -10.703 13.723 1.00 15.31 ATOM 380 NE2 HIS 23 -4.509 -11.506 13.120 1.00 23.04 ATOM 381 HE2 HIS 23 -4.437 -11.143 12.208 1.00 38.53 ATOM 382 C HIS 23 -2.268 -14.030 18.001 1.00 12.55 ATOM 383 O HIS 23 -2.865 -13.694 19.026 1.00 41.34 ATOM 384 N SER 24 -1.433 -15.072 17.981 1.00 22.53 ATOM 385 HN SER 24 -0.937 -15.278 17.158 1.00 38.53 ATOM 386 CA SER 24 -1.241 -15.929 19.173 1.00 5.42 ATOM 387 HA SER 24 -2.107 -15.809 19.810 1.00 3.30 ATOM 388 CB SER 24 -1.140 -17.405 18.758 1.00 62.43 ATOM 389 HB1 SER 24 -1.997 -17.665 18.152 1.00 38.53 ATOM 390 HB2 SER 24 -1.125 -18.029 19.640 1.00 13.42 ATOM 391 OG SER 24 0.037 -17.651 18.008 1.00 14.44 ATOM 392 HG SER 24 -0.185 -17.710 17.074 1.00 61.14 ATOM 393 C SER 24 0.012 -15.542 19.978 1.00 35.23 ATOM 394 O SER 24 0.287 -16.125 21.030 1.00 13.21 ATOM 395 N ARG 25 0.741 -14.535 19.498 1.00 31.13 ATOM 396 HN ARG 25 0.403 -14.046 18.719 1.00 38.53 ATOM 397 CA ARG 25 2.043 -14.139 20.072 1.00 11.42 ATOM 398 HA ARG 25 2.745 -14.929 19.845 1.00 34.34 ATOM 399 CB ARG 25 2.535 -12.849 19.394 1.00 41.02 ATOM 400 HB1 ARG 25 2.621 -13.025 18.330 1.00 38.53 ATOM 401 HB2 ARG 25 3.512 -12.598 19.787 1.00 44.44 ATOM 402 CG ARG 25 1.610 -11.654 19.607 1.00 24.45 ATOM 403 HG1 ARG 25 1.603 -11.402 20.660 1.00 38.53 ATOM 404 HG2 ARG 25 0.610 -11.927 19.298 1.00 1.33 ATOM 405 CD ARG 25 2.051 -10.431 18.807 1.00 4.31 ATOM 406 HD1 ARG 25 1.331 -9.640 18.964 1.00 38.53 ATOM 407 HD2 ARG 25 2.070 -10.692 17.759 1.00 54.22 ATOM 408 NE ARG 25 3.375 -9.947 19.196 1.00 54.33 ATOM 409 HE ARG 25 3.845 -10.428 19.907 1.00 64.35 ATOM 410 CZ ARG 25 3.964 -8.913 18.656 1.00 62.13 ATOM 411 NH1 ARG 25 3.365 -8.212 17.744 1.00 61.24 ATOM 412 HH11 ARG 25 2.441 -8.455 17.449 1.00 70.15 ATOM 413 HH12 ARG 25 3.830 -7.429 17.338 1.00 23.21 ATOM 414 NH2 ARG 25 5.143 -8.559 19.049 1.00 62.14 ATOM 415 HH21 ARG 25 5.606 -9.077 19.767 1.00 1.11 ATOM 416 HH22 ARG 25 5.585 -7.766 18.636 1.00 11.21 ATOM 417 C ARG 25 2.022 -13.934 21.606 1.00 24.02 ATOM 418 O ARG 25 3.032 -14.158 22.278 1.00 61.01 ATOM 419 N LYS 26 0.887 -13.501 22.160 1.00 70.15 ATOM 420 HN LYS 26 0.088 -13.415 21.604 1.00 38.53 ATOM 421 CA LYS 26 0.814 -13.154 23.593 1.00 72.22 ATOM 422 HA LYS 26 1.807 -12.862 23.903 1.00 40.42 ATOM 423 CB LYS 26 -0.126 -11.959 23.814 1.00 63.33 ATOM 424 HB1 LYS 26 -0.290 -11.837 24.877 1.00 38.53 ATOM 425 HB2 LYS 26 -1.072 -12.168 23.336 1.00 50.32 ATOM 426 CG LYS 26 0.405 -10.640 23.261 1.00 54.04 ATOM 427 HG1 LYS 26 0.357 -10.665 22.180 1.00 38.53 ATOM 428 HG2 LYS 26 1.433 -10.517 23.575 1.00 35.23 ATOM 429 CD LYS 26 -0.414 -9.457 23.770 1.00 15.23 ATOM 430 HD1 LYS 26 -0.448 -9.495 24.850 1.00 38.53 ATOM 431 HD2 LYS 26 -1.419 -9.532 23.378 1.00 51.30 ATOM 432 CE LYS 26 0.179 -8.120 23.345 1.00 61.31 ATOM 433 HE1 LYS 26 0.048 -8.001 22.279 1.00 38.53 ATOM 434 HE2 LYS 26 1.234 -8.115 23.581 1.00 22.35 ATOM 435 NZ LYS 26 -0.477 -6.982 24.046 1.00 0.40 ATOM 436 HZ1 LYS 26 -0.063 -6.082 23.732 1.00 31.12 ATOM 437 HZ2 LYS 26 -0.342 -7.070 25.075 1.00 44.13 ATOM 438 HZ3 LYS 26 -1.495 -6.973 23.843 1.00 62.53 ATOM 439 C LYS 26 0.366 -14.326 24.487 1.00 22.23 ATOM 440 O LYS 26 0.400 -14.215 25.715 1.00 0.01 ATOM 441 N MET 27 -0.048 -15.441 23.893 1.00 25.03 ATOM 442 HN MET 27 0.002 -15.514 22.916 1.00 38.53 ATOM 443 CA MET 27 -0.548 -16.578 24.678 1.00 51.41 ATOM 444 HA MET 27 -1.000 -16.180 25.577 1.00 53.42 ATOM 445 CB MET 27 -1.620 -17.348 23.894 1.00 50.40 ATOM 446 HB1 MET 27 -1.948 -18.192 24.484 1.00 38.53 ATOM 447 HB2 MET 27 -1.185 -17.713 22.973 1.00 73.44 ATOM 448 CG MET 27 -2.843 -16.508 23.543 1.00 21.52 ATOM 449 HG1 MET 27 -2.567 -15.795 22.779 1.00 38.53 ATOM 450 HG2 MET 27 -3.164 -15.976 24.428 1.00 41.12 ATOM 451 SD MET 27 -4.226 -17.498 22.935 1.00 14.42 ATOM 452 CE MET 27 -3.494 -18.298 21.509 1.00 20.30 ATOM 453 HE1 MET 27 -2.653 -18.898 21.822 1.00 63.04 ATOM 454 HE2 MET 27 -3.160 -17.548 20.807 1.00 0.11 ATOM 455 HE3 MET 27 -4.231 -18.931 21.036 1.00 51.35 ATOM 456 C MET 27 0.591 -17.523 25.095 1.00 43.32 ATOM 457 O MET 27 1.597 -17.649 24.397 1.00 30.33 ATOM 458 N ASN 28 0.428 -18.180 26.245 1.00 53.12 ATOM 459 HN ASN 28 -0.387 -18.030 26.764 1.00 38.53 ATOM 460 CA ASN 28 1.438 -19.116 26.755 1.00 21.54 ATOM 461 HA ASN 28 2.400 -18.624 26.713 1.00 23.03 ATOM 462 CB ASN 28 1.135 -19.493 28.213 1.00 50.24 ATOM 463 HB1 ASN 28 1.912 -20.152 28.575 1.00 38.53 ATOM 464 HB2 ASN 28 0.187 -20.010 28.253 1.00 62.21 ATOM 465 CG ASN 28 1.060 -18.292 29.136 1.00 14.33 ATOM 466 OD1 ASN 28 1.717 -17.278 28.924 1.00 73.42 ATOM 467 ND2 ASN 28 0.260 -18.402 30.178 1.00 30.34 ATOM 468 HD21 ASN 28 -0.237 -19.238 30.294 1.00 64.11 ATOM 469 HD22 ASN 28 0.199 -17.644 30.793 1.00 44.20 ATOM 470 C ASN 28 1.497 -20.391 25.896 1.00 61.32 ATOM 471 O ASN 28 1.023 -21.447 26.306 1.00 31.41 ATOM 472 N LEU 29 2.066 -20.279 24.702 1.00 50.21 ATOM 473 HN LEU 29 2.448 -19.414 24.436 1.00 38.53 ATOM 474 CA LEU 29 2.138 -21.408 23.768 1.00 52.23 ATOM 475 HA LEU 29 1.166 -21.882 23.746 1.00 53.10 ATOM 476 CB LEU 29 2.478 -20.907 22.355 1.00 54.34 ATOM 477 HB1 LEU 29 2.429 -21.747 21.677 1.00 38.53 ATOM 478 HB2 LEU 29 3.493 -20.532 22.363 1.00 50.25 ATOM 479 CG LEU 29 1.559 -19.797 21.813 1.00 53.33 ATOM 480 HG LEU 29 1.706 -18.904 22.405 1.00 34.13 ATOM 481 CD1 LEU 29 1.912 -19.452 20.368 1.00 45.32 ATOM 482 HD11 LEU 29 2.939 -19.122 20.316 1.00 74.21 ATOM 483 HD12 LEU 29 1.265 -18.662 20.017 1.00 43.40 ATOM 484 HD13 LEU 29 1.783 -20.326 19.745 1.00 51.25 ATOM 485 CD2 LEU 29 0.091 -20.197 21.933 1.00 32.30 ATOM 486 HD21 LEU 29 -0.530 -19.420 21.512 1.00 14.23 ATOM 487 HD22 LEU 29 -0.163 -20.333 22.975 1.00 4.01 ATOM 488 HD23 LEU 29 -0.078 -21.122 21.399 1.00 14.41 ATOM 489 C LEU 29 3.180 -22.443 24.218 1.00 4.40 ATOM 490 O LEU 29 4.274 -22.084 24.658 1.00 54.11 ATOM 491 N THR 30 2.835 -23.726 24.119 1.00 51.52 ATOM 492 HN THR 30 1.927 -23.953 23.821 1.00 38.53 ATOM 493 CA THR 30 3.777 -24.803 24.456 1.00 14.35 ATOM 494 HA THR 30 4.079 -24.662 25.485 1.00 42.43 ATOM 495 CB THR 30 3.130 -26.207 24.334 1.00 33.34 ATOM 496 HB THR 30 2.281 -26.250 25.002 1.00 15.05 ATOM 497 OG1 THR 30 4.074 -27.223 24.721 1.00 41.54 ATOM 498 HG1 THR 30 4.377 -27.695 23.932 1.00 11.21 ATOM 499 CG2 THR 30 2.642 -26.478 22.915 1.00 13.35 ATOM 500 HG21 THR 30 1.930 -25.718 22.627 1.00 44.22 ATOM 501 HG22 THR 30 2.166 -27.447 22.877 1.00 4.25 ATOM 502 HG23 THR 30 3.481 -26.463 22.234 1.00 13.31 ATOM 503 C THR 30 5.026 -24.745 23.565 1.00 31.42 ATOM 504 O THR 30 4.929 -24.557 22.351 1.00 35.14 ATOM 505 N ARG 31 6.199 -24.896 24.169 1.00 34.14 ATOM 506 HN ARG 31 6.221 -25.076 25.134 1.00 38.53 ATOM 507 CA ARG 31 7.458 -24.809 23.426 1.00 71.24 ATOM 508 HA ARG 31 7.443 -23.880 22.873 1.00 4.01 ATOM 509 CB ARG 31 8.651 -24.781 24.394 1.00 41.54 ATOM 510 HB1 ARG 31 9.564 -24.701 23.818 1.00 38.53 ATOM 511 HB2 ARG 31 8.670 -25.706 24.955 1.00 55.54 ATOM 512 CG ARG 31 8.602 -23.615 25.382 1.00 75.11 ATOM 513 HG1 ARG 31 7.762 -23.757 26.049 1.00 38.53 ATOM 514 HG2 ARG 31 8.471 -22.695 24.832 1.00 45.42 ATOM 515 CD ARG 31 9.878 -23.512 26.211 1.00 41.41 ATOM 516 HD1 ARG 31 10.010 -24.432 26.763 1.00 38.53 ATOM 517 HD2 ARG 31 9.778 -22.690 26.906 1.00 24.43 ATOM 518 NE ARG 31 11.055 -23.289 25.370 1.00 4.10 ATOM 519 HE ARG 31 11.391 -24.046 24.849 1.00 64.14 ATOM 520 CZ ARG 31 11.681 -22.146 25.271 1.00 63.33 ATOM 521 NH1 ARG 31 11.277 -21.111 25.934 1.00 45.31 ATOM 522 HH11 ARG 31 10.479 -21.179 26.529 1.00 73.21 ATOM 523 HH12 ARG 31 11.763 -20.245 25.848 1.00 42.34 ATOM 524 NH2 ARG 31 12.710 -22.043 24.499 1.00 50.53 ATOM 525 HH21 ARG 31 13.024 -22.835 23.979 1.00 2.21 ATOM 526 HH22 ARG 31 13.192 -21.172 24.426 1.00 33.52 ATOM 527 C ARG 31 7.597 -25.968 22.424 1.00 10.35 ATOM 528 O ARG 31 7.354 -27.130 22.760 1.00 63.15 ATOM 529 N GLY 32 7.988 -25.642 21.193 1.00 32.25 ATOM 530 HN GLY 32 8.236 -24.712 21.002 1.00 38.53 ATOM 531 CA GLY 32 8.076 -26.647 20.136 1.00 35.10 ATOM 532 HA1 GLY 32 8.462 -27.565 20.557 1.00 38.53 ATOM 533 HA2 GLY 32 8.768 -26.294 19.384 1.00 44.23 ATOM 534 C GLY 32 6.732 -26.935 19.465 1.00 31.12 ATOM 535 O GLY 32 6.554 -27.980 18.836 1.00 13.11 ATOM 536 N ILE 33 5.779 -26.012 19.608 1.00 52.45 ATOM 537 HN ILE 33 5.964 -25.219 20.154 1.00 38.53 ATOM 538 CA ILE 33 4.455 -26.157 18.987 1.00 1.35 ATOM 539 HA ILE 33 4.101 -27.158 19.200 1.00 54.32 ATOM 540 CB ILE 33 3.442 -25.148 19.598 1.00 53.23 ATOM 541 HB ILE 33 3.388 -25.339 20.663 1.00 0.15 ATOM 542 CG1 ILE 33 2.042 -25.340 18.990 1.00 52.12 ATOM 543 HG11 ILE 33 1.723 -26.359 19.158 1.00 38.53 ATOM 544 HG12 ILE 33 2.088 -25.153 17.928 1.00 43.51 ATOM 545 CG2 ILE 33 3.926 -23.710 19.409 1.00 61.41 ATOM 546 HG21 ILE 33 3.233 -23.028 19.881 1.00 21.41 ATOM 547 HG22 ILE 33 3.989 -23.484 18.354 1.00 45.02 ATOM 548 HG23 ILE 33 4.902 -23.597 19.860 1.00 32.22 ATOM 549 CD1 ILE 33 0.986 -24.422 19.574 1.00 63.43 ATOM 550 HD11 ILE 33 1.259 -23.393 19.390 1.00 0.31 ATOM 551 HD12 ILE 33 0.910 -24.589 20.639 1.00 53.23 ATOM 552 HD13 ILE 33 0.035 -24.630 19.108 1.00 22.03 ATOM 553 C ILE 33 4.522 -25.969 17.455 1.00 4.03 ATOM 554 O ILE 33 5.046 -24.966 16.959 1.00 2.43 ATOM 555 N ASN 34 3.995 -26.940 16.706 1.00 61.53 ATOM 556 HN ASN 34 3.591 -27.720 17.147 1.00 38.53 ATOM 557 CA ASN 34 4.003 -26.870 15.240 1.00 72.31 ATOM 558 HA ASN 34 4.846 -26.260 14.946 1.00 54.44 ATOM 559 CB ASN 34 4.172 -28.267 14.625 1.00 43.25 ATOM 560 HB1 ASN 34 3.338 -28.887 14.920 1.00 38.53 ATOM 561 HB2 ASN 34 5.089 -28.708 14.991 1.00 64.11 ATOM 562 CG ASN 34 4.230 -28.227 13.105 1.00 31.10 ATOM 563 OD1 ASN 34 4.654 -27.240 12.512 1.00 73.14 ATOM 564 ND2 ASN 34 3.801 -29.294 12.462 1.00 71.41 ATOM 565 HD21 ASN 34 3.470 -30.050 12.991 1.00 12.03 ATOM 566 HD22 ASN 34 3.834 -29.289 11.480 1.00 41.22 ATOM 567 C ASN 34 2.720 -26.216 14.707 1.00 75.51 ATOM 568 O ASN 34 1.694 -26.874 14.528 1.00 13.13 ATOM 569 N LEU 35 2.789 -24.911 14.454 1.00 0.33 ATOM 570 HN LEU 35 3.627 -24.436 14.635 1.00 38.53 ATOM 571 CA LEU 35 1.642 -24.164 13.928 1.00 64.11 ATOM 572 HA LEU 35 0.782 -24.423 14.531 1.00 12.35 ATOM 573 CB LEU 35 1.891 -22.652 14.052 1.00 12.22 ATOM 574 HB1 LEU 35 1.054 -22.133 13.604 1.00 38.53 ATOM 575 HB2 LEU 35 2.783 -22.410 13.490 1.00 3.23 ATOM 576 CG LEU 35 2.067 -22.129 15.489 1.00 45.13 ATOM 577 HG LEU 35 2.912 -22.631 15.942 1.00 61.54 ATOM 578 CD1 LEU 35 2.365 -20.629 15.491 1.00 71.42 ATOM 579 HD11 LEU 35 3.274 -20.442 14.939 1.00 24.45 ATOM 580 HD12 LEU 35 2.488 -20.286 16.508 1.00 3.53 ATOM 581 HD13 LEU 35 1.548 -20.094 15.028 1.00 63.33 ATOM 582 CD2 LEU 35 0.831 -22.439 16.333 1.00 52.24 ATOM 583 HD21 LEU 35 -0.040 -21.979 15.887 1.00 64.24 ATOM 584 HD22 LEU 35 0.969 -22.053 17.332 1.00 12.42 ATOM 585 HD23 LEU 35 0.687 -23.509 16.382 1.00 54.51 ATOM 586 C LEU 35 1.336 -24.539 12.465 1.00 31.41 ATOM 587 O LEU 35 0.228 -24.310 11.978 1.00 61.54 ATOM 588 N ARG 36 2.316 -25.122 11.767 1.00 74.12 ATOM 589 HN ARG 36 3.193 -25.245 12.185 1.00 38.53 ATOM 590 CA ARG 36 2.108 -25.580 10.383 1.00 11.40 ATOM 591 HA ARG 36 1.763 -24.732 9.808 1.00 14.22 ATOM 592 CB ARG 36 3.421 -26.093 9.771 1.00 62.11 ATOM 593 HB1 ARG 36 3.860 -26.818 10.442 1.00 38.53 ATOM 594 HB2 ARG 36 4.102 -25.262 9.660 1.00 40.03 ATOM 595 CG ARG 36 3.239 -26.752 8.405 1.00 33.15 ATOM 596 HG1 ARG 36 2.825 -26.025 7.719 1.00 38.53 ATOM 597 HG2 ARG 36 2.552 -27.580 8.505 1.00 10.04 ATOM 598 CD ARG 36 4.552 -27.275 7.835 1.00 5.02 ATOM 599 HD1 ARG 36 5.046 -27.873 8.589 1.00 38.53 ATOM 600 HD2 ARG 36 5.179 -26.434 7.576 1.00 12.11 ATOM 601 NE ARG 36 4.336 -28.096 6.644 1.00 31.44 ATOM 602 HE ARG 36 3.468 -28.541 6.558 1.00 1.51 ATOM 603 CZ ARG 36 5.226 -28.286 5.705 1.00 12.55 ATOM 604 NH1 ARG 36 6.371 -27.679 5.746 1.00 15.30 ATOM 605 HH11 ARG 36 6.578 -27.060 6.497 1.00 34.24 ATOM 606 HH12 ARG 36 7.042 -27.828 5.022 1.00 2.44 ATOM 607 NH2 ARG 36 4.956 -29.073 4.714 1.00 71.21 ATOM 608 HH21 ARG 36 4.071 -29.529 4.668 1.00 33.25 ATOM 609 HH22 ARG 36 5.639 -29.231 4.004 1.00 32.33 ATOM 610 C ARG 36 1.041 -26.683 10.317 1.00 14.43 ATOM 611 O ARG 36 0.125 -26.621 9.501 1.00 65.51 ATOM 612 N LYS 37 1.164 -27.685 11.192 1.00 4.43 ATOM 613 HN LYS 37 1.926 -27.688 11.806 1.00 38.53 ATOM 614 CA LYS 37 0.196 -28.786 11.259 1.00 21.30 ATOM 615 HA LYS 37 0.248 -29.328 10.324 1.00 22.14 ATOM 616 CB LYS 37 0.580 -29.733 12.414 1.00 1.43 ATOM 617 HB1 LYS 37 0.384 -29.232 13.351 1.00 38.53 ATOM 618 HB2 LYS 37 1.639 -29.937 12.350 1.00 72.12 ATOM 619 CG LYS 37 -0.154 -31.076 12.435 1.00 34.14 ATOM 620 HG1 LYS 37 0.480 -31.810 12.916 1.00 38.53 ATOM 621 HG2 LYS 37 -0.344 -31.386 11.417 1.00 44.21 ATOM 622 CD LYS 37 -1.486 -31.007 13.182 1.00 40.13 ATOM 623 HD1 LYS 37 -2.210 -30.496 12.564 1.00 38.53 ATOM 624 HD2 LYS 37 -1.344 -30.457 14.102 1.00 10.01 ATOM 625 CE LYS 37 -2.006 -32.402 13.510 1.00 31.52 ATOM 626 HE1 LYS 37 -1.258 -32.917 14.096 1.00 38.53 ATOM 627 HE2 LYS 37 -2.167 -32.937 12.588 1.00 64.34 ATOM 628 NZ LYS 37 -3.280 -32.372 14.277 1.00 51.15 ATOM 629 HZ1 LYS 37 -3.514 -33.326 14.615 1.00 51.44 ATOM 630 HZ2 LYS 37 -4.058 -32.039 13.675 1.00 64.22 ATOM 631 HZ3 LYS 37 -3.193 -31.739 15.097 1.00 13.22 ATOM 632 C LYS 37 -1.225 -28.238 11.437 1.00 11.04 ATOM 633 O LYS 37 -2.175 -28.727 10.831 1.00 51.11 ATOM 634 N ILE 38 -1.346 -27.198 12.256 1.00 34.14 ATOM 635 HN ILE 38 -0.553 -26.885 12.737 1.00 38.53 ATOM 636 CA ILE 38 -2.622 -26.510 12.466 1.00 71.10 ATOM 637 HA ILE 38 -3.363 -27.252 12.733 1.00 15.41 ATOM 638 CB ILE 38 -2.512 -25.487 13.626 1.00 32.32 ATOM 639 HB ILE 38 -1.832 -24.703 13.318 1.00 65.32 ATOM 640 CG1 ILE 38 -1.948 -26.163 14.888 1.00 11.52 ATOM 641 HG11 ILE 38 -1.896 -25.437 15.686 1.00 38.53 ATOM 642 HG12 ILE 38 -0.954 -26.529 14.677 1.00 2.22 ATOM 643 CG2 ILE 38 -3.869 -24.844 13.914 1.00 55.44 ATOM 644 HG21 ILE 38 -4.213 -24.318 13.034 1.00 21.25 ATOM 645 HG22 ILE 38 -3.775 -24.146 14.734 1.00 73.15 ATOM 646 HG23 ILE 38 -4.584 -25.611 14.177 1.00 40.44 ATOM 647 CD1 ILE 38 -2.772 -27.334 15.381 1.00 55.54 ATOM 648 HD11 ILE 38 -3.769 -26.997 15.624 1.00 2.53 ATOM 649 HD12 ILE 38 -2.309 -27.754 16.261 1.00 72.55 ATOM 650 HD13 ILE 38 -2.826 -28.089 14.609 1.00 4.41 ATOM 651 C ILE 38 -3.079 -25.775 11.191 1.00 25.44 ATOM 652 O ILE 38 -4.242 -25.856 10.794 1.00 35.13 ATOM 653 N ALA 39 -2.146 -25.070 10.552 1.00 54.02 ATOM 654 HN ALA 39 -1.237 -25.051 10.918 1.00 38.53 ATOM 655 CA ALA 39 -2.432 -24.318 9.323 1.00 1.33 ATOM 656 HA ALA 39 -3.225 -23.617 9.542 1.00 52.31 ATOM 657 CB ALA 39 -1.202 -23.521 8.901 1.00 62.30 ATOM 658 HB1 ALA 39 -1.426 -22.954 8.010 1.00 51.14 ATOM 659 HB2 ALA 39 -0.383 -24.198 8.700 1.00 74.51 ATOM 660 HB3 ALA 39 -0.921 -22.844 9.695 1.00 54.44 ATOM 661 C ALA 39 -2.887 -25.238 8.178 1.00 44.52 ATOM 662 O ALA 39 -3.746 -24.867 7.374 1.00 64.03 ATOM 663 N GLU 40 -2.310 -26.438 8.113 1.00 0.54 ATOM 664 HN GLU 40 -1.615 -26.665 8.765 1.00 38.53 ATOM 665 CA GLU 40 -2.676 -27.422 7.086 1.00 22.14 ATOM 666 HA GLU 40 -2.684 -26.909 6.133 1.00 55.44 ATOM 667 CB GLU 40 -1.631 -28.550 7.026 1.00 12.03 ATOM 668 HB1 GLU 40 -1.948 -29.284 6.297 1.00 38.53 ATOM 669 HB2 GLU 40 -1.573 -29.024 7.996 1.00 31.03 ATOM 670 CG GLU 40 -0.231 -28.072 6.645 1.00 32.54 ATOM 671 HG1 GLU 40 0.171 -27.493 7.466 1.00 38.53 ATOM 672 HG2 GLU 40 -0.304 -27.442 5.768 1.00 12.03 ATOM 673 CD GLU 40 0.723 -29.218 6.340 1.00 2.03 ATOM 674 OE1 GLU 40 0.597 -29.826 5.253 1.00 53.44 ATOM 675 OE2 GLU 40 1.604 -29.518 7.177 1.00 54.31 ATOM 676 C GLU 40 -4.078 -28.008 7.332 1.00 23.25 ATOM 677 O GLU 40 -4.690 -28.582 6.431 1.00 63.23 ATOM 678 N LEU 41 -4.583 -27.859 8.558 1.00 53.33 ATOM 679 HN LEU 41 -4.029 -27.442 9.252 1.00 38.53 ATOM 680 CA LEU 41 -5.940 -28.309 8.903 1.00 4.43 ATOM 681 HA LEU 41 -6.122 -29.242 8.387 1.00 41.21 ATOM 682 CB LEU 41 -6.058 -28.547 10.416 1.00 43.34 ATOM 683 HB1 LEU 41 -7.071 -28.855 10.633 1.00 38.53 ATOM 684 HB2 LEU 41 -5.871 -27.608 10.922 1.00 42.44 ATOM 685 CG LEU 41 -5.103 -29.603 10.993 1.00 2.42 ATOM 686 HG LEU 41 -4.085 -29.278 10.833 1.00 10.24 ATOM 687 CD1 LEU 41 -5.306 -29.757 12.497 1.00 63.13 ATOM 688 HD11 LEU 41 -4.619 -30.497 12.879 1.00 42.41 ATOM 689 HD12 LEU 41 -6.321 -30.072 12.695 1.00 22.04 ATOM 690 HD13 LEU 41 -5.122 -28.810 12.985 1.00 13.01 ATOM 691 CD2 LEU 41 -5.283 -30.942 10.284 1.00 64.43 ATOM 692 HD21 LEU 41 -5.009 -30.840 9.244 1.00 35.32 ATOM 693 HD22 LEU 41 -6.316 -31.252 10.352 1.00 30.13 ATOM 694 HD23 LEU 41 -4.654 -31.687 10.750 1.00 3.44 ATOM 695 C LEU 41 -6.999 -27.289 8.456 1.00 55.33 ATOM 696 O LEU 41 -8.197 -27.571 8.486 1.00 74.55 ATOM 697 N MET 42 -6.540 -26.109 8.038 1.00 3.22 ATOM 698 HN MET 42 -5.570 -25.969 8.005 1.00 38.53 ATOM 699 CA MET 42 -7.425 -25.011 7.624 1.00 44.23 ATOM 700 HA MET 42 -8.417 -25.208 8.005 1.00 32.02 ATOM 701 CB MET 42 -6.906 -23.694 8.225 1.00 70.43 ATOM 702 HB1 MET 42 -7.567 -22.892 7.927 1.00 38.53 ATOM 703 HB2 MET 42 -5.918 -23.496 7.829 1.00 32.43 ATOM 704 CG MET 42 -6.817 -23.697 9.746 1.00 14.20 ATOM 705 HG1 MET 42 -6.162 -22.895 10.056 1.00 38.53 ATOM 706 HG2 MET 42 -6.401 -24.641 10.070 1.00 43.13 ATOM 707 SD MET 42 -8.419 -23.471 10.540 1.00 32.43 ATOM 708 CE MET 42 -8.776 -21.778 10.082 1.00 50.02 ATOM 709 HE1 MET 42 -7.979 -21.136 10.434 1.00 33.12 ATOM 710 HE2 MET 42 -9.709 -21.473 10.530 1.00 14.13 ATOM 711 HE3 MET 42 -8.850 -21.703 9.009 1.00 1.41 ATOM 712 C MET 42 -7.488 -24.889 6.087 1.00 3.24 ATOM 713 O MET 42 -6.662 -24.203 5.488 1.00 52.10 ATOM 714 N PRO 43 -8.457 -25.560 5.423 1.00 34.43 ATOM 715 CA PRO 43 -8.563 -25.536 3.948 1.00 55.04 ATOM 716 HA PRO 43 -7.635 -25.856 3.493 1.00 10.12 ATOM 717 CB PRO 43 -9.653 -26.583 3.655 1.00 33.43 ATOM 718 HB1 PRO 43 -9.190 -27.532 3.422 1.00 38.53 ATOM 719 HB2 PRO 43 -10.256 -26.260 2.817 1.00 31.12 ATOM 720 CG PRO 43 -10.458 -26.667 4.911 1.00 72.41 ATOM 721 HG1 PRO 43 -10.893 -27.652 5.005 1.00 38.53 ATOM 722 HG2 PRO 43 -11.236 -25.915 4.901 1.00 74.10 ATOM 723 CD PRO 43 -9.496 -26.409 6.041 1.00 41.40 ATOM 724 HD1 PRO 43 -9.072 -27.339 6.393 1.00 38.53 ATOM 725 HD2 PRO 43 -9.990 -25.891 6.851 1.00 11.51 ATOM 726 C PRO 43 -8.939 -24.148 3.371 1.00 63.24 ATOM 727 O PRO 43 -8.067 -23.385 2.945 1.00 1.24 ATOM 728 N GLY 44 -10.233 -23.819 3.366 1.00 14.34 ATOM 729 HN GLY 44 -10.890 -24.448 3.730 1.00 38.53 ATOM 730 CA GLY 44 -10.687 -22.540 2.819 1.00 23.04 ATOM 731 HA1 GLY 44 -11.690 -22.664 2.436 1.00 38.53 ATOM 732 HA2 GLY 44 -10.039 -22.257 2.001 1.00 13.22 ATOM 733 C GLY 44 -10.691 -21.420 3.851 1.00 63.54 ATOM 734 O GLY 44 -11.693 -20.726 4.030 1.00 43.32 ATOM 735 N ALA 45 -9.558 -21.233 4.518 1.00 23.33 ATOM 736 HN ALA 45 -8.777 -21.778 4.285 1.00 38.53 ATOM 737 CA ALA 45 -9.444 -20.242 5.593 1.00 61.41 ATOM 738 HA ALA 45 -10.428 -20.096 6.020 1.00 73.44 ATOM 739 CB ALA 45 -8.533 -20.775 6.690 1.00 12.22 ATOM 740 HB1 ALA 45 -8.523 -20.082 7.520 1.00 55.45 ATOM 741 HB2 ALA 45 -7.530 -20.889 6.306 1.00 21.34 ATOM 742 HB3 ALA 45 -8.899 -21.734 7.028 1.00 21.02 ATOM 743 C ALA 45 -8.918 -18.889 5.090 1.00 52.31 ATOM 744 O ALA 45 -8.257 -18.806 4.053 1.00 31.41 ATOM 745 N SER 46 -9.230 -17.830 5.830 1.00 21.12 ATOM 746 HN SER 46 -9.859 -17.943 6.575 1.00 38.53 ATOM 747 CA SER 46 -8.691 -16.489 5.562 1.00 2.22 ATOM 748 HA SER 46 -7.739 -16.606 5.060 1.00 12.32 ATOM 749 CB SER 46 -9.645 -15.695 4.655 1.00 61.25 ATOM 750 HB1 SER 46 -9.234 -14.710 4.476 1.00 38.53 ATOM 751 HB2 SER 46 -10.605 -15.599 5.141 1.00 4.33 ATOM 752 OG SER 46 -9.831 -16.342 3.402 1.00 73.43 ATOM 753 HG SER 46 -9.378 -17.193 3.411 1.00 34.41 ATOM 754 C SER 46 -8.457 -15.740 6.885 1.00 63.13 ATOM 755 O SER 46 -8.430 -16.358 7.952 1.00 54.12 ATOM 756 N GLY 47 -8.297 -14.415 6.818 1.00 65.33 ATOM 757 HN GLY 47 -8.381 -13.967 5.953 1.00 38.53 ATOM 758 CA GLY 47 -8.013 -13.622 8.016 1.00 51.10 ATOM 759 HA1 GLY 47 -8.023 -12.576 7.745 1.00 38.53 ATOM 760 HA2 GLY 47 -7.025 -13.875 8.372 1.00 75.24 ATOM 761 C GLY 47 -9.016 -13.844 9.150 1.00 35.05 ATOM 762 O GLY 47 -8.625 -14.103 10.291 1.00 13.34 ATOM 763 N ALA 48 -10.309 -13.757 8.835 1.00 54.25 ATOM 764 HN ALA 48 -10.558 -13.572 7.903 1.00 38.53 ATOM 765 CA ALA 48 -11.370 -13.930 9.837 1.00 4.40 ATOM 766 HA ALA 48 -11.206 -13.203 10.621 1.00 3.03 ATOM 767 CB ALA 48 -12.732 -13.644 9.210 1.00 43.30 ATOM 768 HB1 ALA 48 -12.742 -12.640 8.811 1.00 74.33 ATOM 769 HB2 ALA 48 -13.504 -13.740 9.961 1.00 32.03 ATOM 770 HB3 ALA 48 -12.915 -14.349 8.413 1.00 4.40 ATOM 771 C ALA 48 -11.354 -15.341 10.458 1.00 14.22 ATOM 772 O ALA 48 -11.492 -15.502 11.673 1.00 32.05 ATOM 773 N GLU 49 -11.182 -16.358 9.617 1.00 53.22 ATOM 774 HN GLU 49 -11.059 -16.167 8.661 1.00 38.53 ATOM 775 CA GLU 49 -11.167 -17.755 10.076 1.00 41.13 ATOM 776 HA GLU 49 -12.085 -17.932 10.619 1.00 15.13 ATOM 777 CB GLU 49 -11.110 -18.720 8.876 1.00 45.53 ATOM 778 HB1 GLU 49 -10.954 -19.725 9.246 1.00 38.53 ATOM 779 HB2 GLU 49 -10.270 -18.448 8.250 1.00 33.52 ATOM 780 CG GLU 49 -12.369 -18.724 8.007 1.00 15.31 ATOM 781 HG1 GLU 49 -13.202 -19.055 8.611 1.00 38.53 ATOM 782 HG2 GLU 49 -12.226 -19.417 7.189 1.00 70.12 ATOM 783 CD GLU 49 -12.698 -17.358 7.427 1.00 23.53 ATOM 784 OE1 GLU 49 -13.821 -16.860 7.658 1.00 32.33 ATOM 785 OE2 GLU 49 -11.824 -16.764 6.766 1.00 22.31 ATOM 786 C GLU 49 -9.984 -18.023 11.018 1.00 12.01 ATOM 787 O GLU 49 -10.154 -18.575 12.107 1.00 60.34 ATOM 788 N VAL 50 -8.790 -17.617 10.597 1.00 60.02 ATOM 789 HN VAL 50 -8.717 -17.164 9.727 1.00 38.53 ATOM 790 CA VAL 50 -7.583 -17.820 11.399 1.00 50.21 ATOM 791 HA VAL 50 -7.524 -18.872 11.644 1.00 0.43 ATOM 792 CB VAL 50 -6.311 -17.438 10.604 1.00 32.14 ATOM 793 HB VAL 50 -6.370 -16.387 10.355 1.00 11.45 ATOM 794 CG1 VAL 50 -5.060 -17.658 11.447 1.00 12.33 ATOM 795 HG11 VAL 50 -4.997 -18.698 11.735 1.00 21.13 ATOM 796 HG12 VAL 50 -5.107 -17.042 12.335 1.00 42.24 ATOM 797 HG13 VAL 50 -4.187 -17.392 10.872 1.00 42.14 ATOM 798 CG2 VAL 50 -6.229 -18.233 9.300 1.00 12.03 ATOM 799 HG21 VAL 50 -5.333 -17.956 8.763 1.00 73.43 ATOM 800 HG22 VAL 50 -7.095 -18.017 8.689 1.00 14.11 ATOM 801 HG23 VAL 50 -6.201 -19.290 9.522 1.00 55.31 ATOM 802 C VAL 50 -7.636 -17.014 12.708 1.00 73.00 ATOM 803 O VAL 50 -7.219 -17.495 13.763 1.00 31.31 ATOM 804 N LYS 51 -8.152 -15.785 12.635 1.00 0.14 ATOM 805 HN LYS 51 -8.407 -15.428 11.756 1.00 38.53 ATOM 806 CA LYS 51 -8.340 -14.949 13.828 1.00 4.34 ATOM 807 HA LYS 51 -7.369 -14.790 14.276 1.00 20.23 ATOM 808 CB LYS 51 -8.936 -13.581 13.427 1.00 4.21 ATOM 809 HB1 LYS 51 -9.955 -13.731 13.095 1.00 38.53 ATOM 810 HB2 LYS 51 -8.361 -13.187 12.599 1.00 21.12 ATOM 811 CG LYS 51 -8.946 -12.523 14.541 1.00 41.02 ATOM 812 HG1 LYS 51 -9.033 -11.544 14.087 1.00 38.53 ATOM 813 HG2 LYS 51 -8.013 -12.581 15.081 1.00 61.33 ATOM 814 CD LYS 51 -10.097 -12.711 15.532 1.00 73.40 ATOM 815 HD1 LYS 51 -10.033 -13.701 15.960 1.00 38.53 ATOM 816 HD2 LYS 51 -11.034 -12.607 15.006 1.00 24.51 ATOM 817 CE LYS 51 -10.051 -11.685 16.660 1.00 33.11 ATOM 818 HE1 LYS 51 -10.109 -10.694 16.232 1.00 38.53 ATOM 819 HE2 LYS 51 -9.117 -11.791 17.191 1.00 61.02 ATOM 820 NZ LYS 51 -11.173 -11.861 17.622 1.00 24.25 ATOM 821 HZ1 LYS 51 -11.039 -11.239 18.445 1.00 12.44 ATOM 822 HZ2 LYS 51 -11.219 -12.847 17.949 1.00 30.23 ATOM 823 HZ3 LYS 51 -12.076 -11.621 17.166 1.00 61.14 ATOM 824 C LYS 51 -9.242 -15.667 14.848 1.00 32.12 ATOM 825 O LYS 51 -8.974 -15.650 16.054 1.00 21.24 ATOM 826 N GLY 52 -10.307 -16.295 14.348 1.00 50.53 ATOM 827 HN GLY 52 -10.492 -16.225 13.387 1.00 38.53 ATOM 828 CA GLY 52 -11.196 -17.079 15.199 1.00 72.21 ATOM 829 HA1 GLY 52 -12.000 -17.472 14.594 1.00 38.53 ATOM 830 HA2 GLY 52 -11.616 -16.434 15.958 1.00 11.15 ATOM 831 C GLY 52 -10.478 -18.241 15.881 1.00 43.10 ATOM 832 O GLY 52 -10.613 -18.439 17.088 1.00 55.11 ATOM 833 N VAL 53 -9.701 -19.000 15.105 1.00 52.22 ATOM 834 HN VAL 53 -9.664 -18.814 14.141 1.00 38.53 ATOM 835 CA VAL 53 -8.908 -20.115 15.646 1.00 22.41 ATOM 836 HA VAL 53 -9.594 -20.817 16.103 1.00 73.30 ATOM 837 CB VAL 53 -8.141 -20.853 14.517 1.00 25.33 ATOM 838 HB VAL 53 -7.521 -20.132 14.000 1.00 21.14 ATOM 839 CG1 VAL 53 -7.232 -21.943 15.083 1.00 42.11 ATOM 840 HG11 VAL 53 -6.508 -21.498 15.749 1.00 72.13 ATOM 841 HG12 VAL 53 -6.717 -22.441 14.273 1.00 51.11 ATOM 842 HG13 VAL 53 -7.826 -22.663 15.627 1.00 43.33 ATOM 843 CG2 VAL 53 -9.120 -21.443 13.506 1.00 34.21 ATOM 844 HG21 VAL 53 -9.788 -22.131 14.007 1.00 13.21 ATOM 845 HG22 VAL 53 -8.571 -21.972 12.739 1.00 15.30 ATOM 846 HG23 VAL 53 -9.694 -20.648 13.052 1.00 32.42 ATOM 847 C VAL 53 -7.910 -19.632 16.712 1.00 63.31 ATOM 848 O VAL 53 -7.763 -20.252 17.765 1.00 41.02 ATOM 849 N CYS 54 -7.236 -18.518 16.433 1.00 34.44 ATOM 850 HN CYS 54 -7.383 -18.079 15.569 1.00 38.53 ATOM 851 CA CYS 54 -6.276 -17.934 17.382 1.00 65.14 ATOM 852 HA CYS 54 -5.533 -18.687 17.604 1.00 62.32 ATOM 853 CB CYS 54 -5.580 -16.716 16.761 1.00 35.02 ATOM 854 HB1 CYS 54 -4.873 -16.314 17.472 1.00 38.53 ATOM 855 HB2 CYS 54 -6.321 -15.963 16.535 1.00 22.13 ATOM 856 SG CYS 54 -4.679 -17.070 15.233 1.00 1.23 ATOM 857 HG CYS 54 -5.404 -17.920 14.516 1.00 54.22 ATOM 858 C CYS 54 -6.966 -17.523 18.690 1.00 4.14 ATOM 859 O CYS 54 -6.406 -17.671 19.776 1.00 24.31 ATOM 860 N THR 55 -8.187 -17.005 18.575 1.00 72.11 ATOM 861 HN THR 55 -8.577 -16.902 17.681 1.00 38.53 ATOM 862 CA THR 55 -8.965 -16.591 19.749 1.00 61.31 ATOM 863 HA THR 55 -8.321 -15.991 20.381 1.00 63.41 ATOM 864 CB THR 55 -10.188 -15.729 19.342 1.00 35.33 ATOM 865 HB THR 55 -10.823 -16.319 18.696 1.00 63.31 ATOM 866 OG1 THR 55 -9.756 -14.559 18.622 1.00 42.33 ATOM 867 HG1 THR 55 -9.594 -14.795 17.698 1.00 24.24 ATOM 868 CG2 THR 55 -11.000 -15.302 20.564 1.00 70.30 ATOM 869 HG21 THR 55 -11.338 -16.178 21.098 1.00 12.12 ATOM 870 HG22 THR 55 -11.855 -14.724 20.244 1.00 25.14 ATOM 871 HG23 THR 55 -10.384 -14.700 21.216 1.00 72.54 ATOM 872 C THR 55 -9.458 -17.807 20.550 1.00 44.12 ATOM 873 O THR 55 -9.246 -17.896 21.762 1.00 72.11 ATOM 874 N GLU 56 -10.113 -18.745 19.864 1.00 60.21 ATOM 875 HN GLU 56 -10.245 -18.626 18.900 1.00 38.53 ATOM 876 CA GLU 56 -10.641 -19.950 20.509 1.00 3.34 ATOM 877 HA GLU 56 -11.266 -19.621 21.328 1.00 51.13 ATOM 878 CB GLU 56 -11.511 -20.762 19.534 1.00 22.33 ATOM 879 HB1 GLU 56 -11.579 -21.782 19.887 1.00 38.53 ATOM 880 HB2 GLU 56 -11.038 -20.761 18.561 1.00 11.54 ATOM 881 CG GLU 56 -12.928 -20.218 19.377 1.00 21.14 ATOM 882 HG1 GLU 56 -13.460 -20.833 18.664 1.00 38.53 ATOM 883 HG2 GLU 56 -12.874 -19.204 19.004 1.00 33.43 ATOM 884 CD GLU 56 -13.697 -20.219 20.693 1.00 35.24 ATOM 885 OE1 GLU 56 -14.198 -21.292 21.097 1.00 12.20 ATOM 886 OE2 GLU 56 -13.792 -19.155 21.341 1.00 32.42 ATOM 887 C GLU 56 -9.529 -20.828 21.093 1.00 11.23 ATOM 888 O GLU 56 -9.744 -21.505 22.093 1.00 12.55 ATOM 889 N ALA 57 -8.345 -20.812 20.481 1.00 20.15 ATOM 890 HN ALA 57 -8.237 -20.288 19.658 1.00 38.53 ATOM 891 CA ALA 57 -7.200 -21.570 21.006 1.00 44.24 ATOM 892 HA ALA 57 -7.438 -22.623 20.937 1.00 2.23 ATOM 893 CB ALA 57 -5.960 -21.307 20.157 1.00 51.43 ATOM 894 HB1 ALA 57 -5.142 -21.916 20.513 1.00 62.24 ATOM 895 HB2 ALA 57 -5.687 -20.263 20.226 1.00 70.34 ATOM 896 HB3 ALA 57 -6.170 -21.555 19.126 1.00 72.22 ATOM 897 C ALA 57 -6.928 -21.220 22.478 1.00 1.20 ATOM 898 O ALA 57 -6.782 -22.103 23.327 1.00 73.45 ATOM 899 N GLY 58 -6.892 -19.923 22.780 1.00 44.41 ATOM 900 HN GLY 58 -6.965 -19.260 22.060 1.00 38.53 ATOM 901 CA GLY 58 -6.741 -19.483 24.161 1.00 41.14 ATOM 902 HA1 GLY 58 -6.566 -18.417 24.170 1.00 38.53 ATOM 903 HA2 GLY 58 -5.886 -19.980 24.598 1.00 43.33 ATOM 904 C GLY 58 -7.978 -19.787 25.005 1.00 2.14 ATOM 905 O GLY 58 -7.877 -20.076 26.198 1.00 73.31 ATOM 906 N MET 59 -9.153 -19.733 24.375 1.00 44.41 ATOM 907 HN MET 59 -9.168 -19.495 23.422 1.00 38.53 ATOM 908 CA MET 59 -10.418 -20.016 25.064 1.00 54.22 ATOM 909 HA MET 59 -10.425 -19.444 25.977 1.00 33.30 ATOM 910 CB MET 59 -11.612 -19.583 24.197 1.00 25.44 ATOM 911 HB1 MET 59 -12.520 -19.748 24.761 1.00 38.53 ATOM 912 HB2 MET 59 -11.637 -20.200 23.310 1.00 62.53 ATOM 913 CG MET 59 -11.592 -18.114 23.757 1.00 11.43 ATOM 914 HG1 MET 59 -12.141 -18.026 22.830 1.00 38.53 ATOM 915 HG2 MET 59 -10.567 -17.818 23.588 1.00 43.14 ATOM 916 SD MET 59 -12.322 -16.977 24.962 1.00 74.12 ATOM 917 CE MET 59 -11.133 -17.038 26.301 1.00 53.21 ATOM 918 HE1 MET 59 -11.142 -18.024 26.741 1.00 44.10 ATOM 919 HE2 MET 59 -11.398 -16.306 27.049 1.00 14.43 ATOM 920 HE3 MET 59 -10.146 -16.821 25.918 1.00 14.21 ATOM 921 C MET 59 -10.541 -21.507 25.425 1.00 25.33 ATOM 922 O MET 59 -11.181 -21.861 26.415 1.00 13.22 ATOM 923 N TYR 60 -9.943 -22.375 24.610 1.00 21.35 ATOM 924 HN TYR 60 -9.515 -22.043 23.796 1.00 38.53 ATOM 925 CA TYR 60 -9.897 -23.814 24.899 1.00 13.13 ATOM 926 HA TYR 60 -10.903 -24.129 25.140 1.00 12.13 ATOM 927 CB TYR 60 -9.408 -24.609 23.675 1.00 42.12 ATOM 928 HB1 TYR 60 -8.895 -25.499 24.013 1.00 38.53 ATOM 929 HB2 TYR 60 -8.717 -24.000 23.110 1.00 40.41 ATOM 930 CG TYR 60 -10.520 -25.043 22.736 1.00 32.32 ATOM 931 CD1 TYR 60 -10.880 -24.280 21.631 1.00 75.43 ATOM 932 HD1 TYR 60 -10.357 -23.355 21.437 1.00 32.43 ATOM 933 CD2 TYR 60 -11.209 -26.230 22.961 1.00 62.22 ATOM 934 HD2 TYR 60 -10.946 -26.836 23.815 1.00 55.12 ATOM 935 CE1 TYR 60 -11.891 -24.687 20.781 1.00 52.10 ATOM 936 HE1 TYR 60 -12.156 -24.080 19.927 1.00 10.13 ATOM 937 CE2 TYR 60 -12.220 -26.642 22.116 1.00 52.33 ATOM 938 HE2 TYR 60 -12.741 -27.569 22.309 1.00 53.42 ATOM 939 CZ TYR 60 -12.555 -25.870 21.028 1.00 11.24 ATOM 940 OH TYR 60 -13.561 -26.282 20.182 1.00 55.23 ATOM 941 HH TYR 60 -13.237 -26.264 19.272 1.00 5.03 ATOM 942 C TYR 60 -8.999 -24.094 26.109 1.00 71.05 ATOM 943 O TYR 60 -9.383 -24.818 27.030 1.00 14.42 ATOM 944 N ALA 61 -7.809 -23.504 26.105 1.00 53.32 ATOM 945 HN ALA 61 -7.523 -23.012 25.306 1.00 38.53 ATOM 946 CA ALA 61 -6.900 -23.601 27.245 1.00 14.31 ATOM 947 HA ALA 61 -6.606 -24.637 27.350 1.00 4.43 ATOM 948 CB ALA 61 -5.644 -22.778 26.983 1.00 12.35 ATOM 949 HB1 ALA 61 -4.941 -22.921 27.792 1.00 1.13 ATOM 950 HB2 ALA 61 -5.906 -21.731 26.917 1.00 31.25 ATOM 951 HB3 ALA 61 -5.192 -23.093 26.053 1.00 52.43 ATOM 952 C ALA 61 -7.583 -23.144 28.544 1.00 64.15 ATOM 953 O ALA 61 -7.686 -23.905 29.506 1.00 53.45 ATOM 954 N LEU 62 -8.073 -21.907 28.554 1.00 52.20 ATOM 955 HN LEU 62 -7.988 -21.355 27.745 1.00 38.53 ATOM 956 CA LEU 62 -8.722 -21.338 29.742 1.00 44.21 ATOM 957 HA LEU 62 -7.990 -21.346 30.538 1.00 43.35 ATOM 958 CB LEU 62 -9.133 -19.883 29.480 1.00 30.35 ATOM 959 HB1 LEU 62 -9.665 -19.518 30.347 1.00 38.53 ATOM 960 HB2 LEU 62 -9.807 -19.868 28.633 1.00 4.11 ATOM 961 CG LEU 62 -7.968 -18.919 29.191 1.00 50.05 ATOM 962 HG LEU 62 -7.456 -19.247 28.297 1.00 55.53 ATOM 963 CD1 LEU 62 -8.484 -17.506 28.941 1.00 62.35 ATOM 964 HD11 LEU 62 -9.016 -17.154 29.814 1.00 41.52 ATOM 965 HD12 LEU 62 -9.150 -17.509 28.091 1.00 43.40 ATOM 966 HD13 LEU 62 -7.650 -16.848 28.739 1.00 63.21 ATOM 967 CD2 LEU 62 -6.961 -18.927 30.339 1.00 11.11 ATOM 968 HD21 LEU 62 -7.446 -18.600 31.248 1.00 15.32 ATOM 969 HD22 LEU 62 -6.143 -18.260 30.108 1.00 74.54 ATOM 970 HD23 LEU 62 -6.577 -19.928 30.477 1.00 71.21 ATOM 971 C LEU 62 -9.940 -22.164 30.204 1.00 4.20 ATOM 972 O LEU 62 -10.136 -22.368 31.404 1.00 14.10 ATOM 973 N ARG 63 -10.753 -22.657 29.263 1.00 12.11 ATOM 974 HN ARG 63 -10.557 -22.483 28.317 1.00 38.53 ATOM 975 CA ARG 63 -11.943 -23.448 29.626 1.00 21.52 ATOM 976 HA ARG 63 -12.480 -22.888 30.379 1.00 51.14 ATOM 977 CB ARG 63 -12.870 -23.652 28.415 1.00 30.44 ATOM 978 HB1 ARG 63 -12.994 -22.703 27.911 1.00 38.53 ATOM 979 HB2 ARG 63 -13.837 -23.982 28.770 1.00 14.31 ATOM 980 CG ARG 63 -12.369 -24.669 27.394 1.00 64.44 ATOM 981 HG1 ARG 63 -12.299 -25.638 27.869 1.00 38.53 ATOM 982 HG2 ARG 63 -11.391 -24.366 27.052 1.00 40.14 ATOM 983 CD ARG 63 -13.296 -24.776 26.186 1.00 31.01 ATOM 984 HD1 ARG 63 -14.294 -25.007 26.531 1.00 38.53 ATOM 985 HD2 ARG 63 -12.945 -25.575 25.549 1.00 22.51 ATOM 986 NE ARG 63 -13.336 -23.537 25.411 1.00 61.23 ATOM 987 HE ARG 63 -12.993 -22.727 25.839 1.00 63.01 ATOM 988 CZ ARG 63 -13.788 -23.452 24.187 1.00 75.43 ATOM 989 NH1 ARG 63 -14.253 -24.503 23.579 1.00 25.12 ATOM 990 HH11 ARG 63 -14.264 -25.387 24.045 1.00 21.31 ATOM 991 HH12 ARG 63 -14.603 -24.425 22.650 1.00 54.22 ATOM 992 NH2 ARG 63 -13.769 -22.314 23.570 1.00 40.11 ATOM 993 HH21 ARG 63 -13.416 -21.507 24.028 1.00 11.51 ATOM 994 HH22 ARG 63 -14.099 -22.247 22.627 1.00 12.35 ATOM 995 C ARG 63 -11.546 -24.805 30.234 1.00 43.44 ATOM 996 O ARG 63 -12.267 -25.354 31.067 1.00 73.24 ATOM 997 N GLU 64 -10.399 -25.342 29.813 1.00 63.00 ATOM 998 HN GLU 64 -9.907 -24.907 29.082 1.00 38.53 ATOM 999 CA GLU 64 -9.857 -26.580 30.400 1.00 35.43 ATOM 1000 HA GLU 64 -10.691 -27.149 30.791 1.00 55.41 ATOM 1001 CB GLU 64 -9.144 -27.424 29.330 1.00 75.44 ATOM 1002 HB1 GLU 64 -8.593 -28.215 29.820 1.00 38.53 ATOM 1003 HB2 GLU 64 -8.448 -26.794 28.794 1.00 32.34 ATOM 1004 CG GLU 64 -10.091 -28.062 28.315 1.00 54.21 ATOM 1005 HG1 GLU 64 -10.593 -27.274 27.770 1.00 38.53 ATOM 1006 HG2 GLU 64 -10.827 -28.648 28.849 1.00 23.33 ATOM 1007 CD GLU 64 -9.382 -28.970 27.318 1.00 53.33 ATOM 1008 OE1 GLU 64 -9.765 -28.969 26.128 1.00 14.45 ATOM 1009 OE2 GLU 64 -8.442 -29.693 27.723 1.00 61.35 ATOM 1010 C GLU 64 -8.892 -26.279 31.562 1.00 33.30 ATOM 1011 O GLU 64 -8.230 -27.183 32.080 1.00 4.44 ATOM 1012 N ARG 65 -8.825 -25.004 31.961 1.00 70.14 ATOM 1013 HN ARG 65 -9.362 -24.338 31.483 1.00 38.53 ATOM 1014 CA ARG 65 -7.980 -24.550 33.081 1.00 24.22 ATOM 1015 HA ARG 65 -8.181 -23.498 33.223 1.00 40.41 ATOM 1016 CB ARG 65 -8.345 -25.295 34.378 1.00 73.21 ATOM 1017 HB1 ARG 65 -7.763 -24.884 35.191 1.00 38.53 ATOM 1018 HB2 ARG 65 -8.092 -26.340 34.263 1.00 71.51 ATOM 1019 CG ARG 65 -9.825 -25.204 34.757 1.00 52.23 ATOM 1020 HG1 ARG 65 -9.976 -25.722 35.695 1.00 38.53 ATOM 1021 HG2 ARG 65 -10.411 -25.683 33.987 1.00 30.52 ATOM 1022 CD ARG 65 -10.302 -23.760 34.909 1.00 52.42 ATOM 1023 HD1 ARG 65 -11.353 -23.770 35.159 1.00 38.53 ATOM 1024 HD2 ARG 65 -10.163 -23.246 33.968 1.00 44.35 ATOM 1025 NE ARG 65 -9.572 -23.038 35.953 1.00 34.22 ATOM 1026 HE ARG 65 -8.673 -23.354 36.179 1.00 12.24 ATOM 1027 CZ ARG 65 -10.031 -21.993 36.589 1.00 43.21 ATOM 1028 NH1 ARG 65 -11.226 -21.551 36.372 1.00 62.53 ATOM 1029 HH11 ARG 65 -11.817 -22.007 35.709 1.00 43.24 ATOM 1030 HH12 ARG 65 -11.559 -20.755 36.878 1.00 44.51 ATOM 1031 NH2 ARG 65 -9.293 -21.403 37.467 1.00 64.14 ATOM 1032 HH21 ARG 65 -8.373 -21.744 37.658 1.00 64.43 ATOM 1033 HH22 ARG 65 -9.643 -20.602 37.954 1.00 13.02 ATOM 1034 C ARG 65 -6.476 -24.708 32.776 1.00 64.12 ATOM 1035 O ARG 65 -5.643 -24.706 33.684 1.00 61.54 ATOM 1036 N ARG 66 -6.138 -24.829 31.495 1.00 73.01 ATOM 1037 HN ARG 66 -6.846 -24.858 30.820 1.00 38.53 ATOM 1038 CA ARG 66 -4.738 -24.918 31.061 1.00 11.31 ATOM 1039 HA ARG 66 -4.238 -25.646 31.684 1.00 60.35 ATOM 1040 CB ARG 66 -4.650 -25.366 29.591 1.00 64.11 ATOM 1041 HB1 ARG 66 -3.606 -25.465 29.325 1.00 38.53 ATOM 1042 HB2 ARG 66 -5.090 -24.596 28.974 1.00 12.51 ATOM 1043 CG ARG 66 -5.351 -26.686 29.268 1.00 1.21 ATOM 1044 HG1 ARG 66 -6.402 -26.592 29.503 1.00 38.53 ATOM 1045 HG2 ARG 66 -4.913 -27.473 29.865 1.00 61.14 ATOM 1046 CD ARG 66 -5.198 -27.039 27.785 1.00 41.44 ATOM 1047 HD1 ARG 66 -4.145 -27.158 27.569 1.00 38.53 ATOM 1048 HD2 ARG 66 -5.591 -26.224 27.194 1.00 2.24 ATOM 1049 NE ARG 66 -5.901 -28.268 27.409 1.00 44.13 ATOM 1050 HE ARG 66 -6.747 -28.467 27.858 1.00 30.33 ATOM 1051 CZ ARG 66 -5.480 -29.096 26.488 1.00 2.43 ATOM 1052 NH1 ARG 66 -4.371 -28.879 25.859 1.00 35.12 ATOM 1053 HH11 ARG 66 -3.832 -28.072 26.068 1.00 61.35 ATOM 1054 HH12 ARG 66 -4.061 -29.527 25.162 1.00 61.42 ATOM 1055 NH2 ARG 66 -6.177 -30.139 26.186 1.00 75.13 ATOM 1056 HH21 ARG 66 -7.043 -30.309 26.654 1.00 2.13 ATOM 1057 HH22 ARG 66 -5.845 -30.770 25.487 1.00 71.04 ATOM 1058 C ARG 66 -4.026 -23.560 31.199 1.00 3.10 ATOM 1059 O ARG 66 -4.549 -22.530 30.770 1.00 63.25 ATOM 1060 N VAL 67 -2.832 -23.561 31.787 1.00 64.31 ATOM 1061 HN VAL 67 -2.492 -24.394 32.178 1.00 38.53 ATOM 1062 CA VAL 67 -2.021 -22.339 31.874 1.00 60.24 ATOM 1063 HA VAL 67 -2.692 -21.503 32.027 1.00 62.25 ATOM 1064 CB VAL 67 -1.030 -22.396 33.067 1.00 32.14 ATOM 1065 HB VAL 67 -0.323 -23.192 32.878 1.00 72.14 ATOM 1066 CG1 VAL 67 -0.242 -21.094 33.196 1.00 72.52 ATOM 1067 HG11 VAL 67 0.440 -21.168 34.031 1.00 73.13 ATOM 1068 HG12 VAL 67 -0.924 -20.273 33.362 1.00 41.54 ATOM 1069 HG13 VAL 67 0.319 -20.919 32.289 1.00 62.44 ATOM 1070 CG2 VAL 67 -1.768 -22.718 34.366 1.00 24.22 ATOM 1071 HG21 VAL 67 -2.279 -23.666 34.266 1.00 41.54 ATOM 1072 HG22 VAL 67 -2.490 -21.941 34.574 1.00 21.01 ATOM 1073 HG23 VAL 67 -1.059 -22.778 35.179 1.00 31.40 ATOM 1074 C VAL 67 -1.241 -22.113 30.567 1.00 73.33 ATOM 1075 O VAL 67 -1.015 -20.975 30.145 1.00 74.34 ATOM 1076 N HIS 68 -0.835 -23.209 29.930 1.00 33.45 ATOM 1077 HN HIS 68 -1.020 -24.085 30.332 1.00 38.53 ATOM 1078 CA HIS 68 -0.124 -23.151 28.649 1.00 2.13 ATOM 1079 HA HIS 68 0.109 -22.114 28.445 1.00 44.43 ATOM 1080 CB HIS 68 1.187 -23.941 28.729 1.00 41.55 ATOM 1081 HB1 HIS 68 1.615 -24.016 27.740 1.00 38.53 ATOM 1082 HB2 HIS 68 0.981 -24.935 29.102 1.00 13.02 ATOM 1083 CG HIS 68 2.209 -23.313 29.628 1.00 73.13 ATOM 1084 ND1 HIS 68 2.239 -23.509 30.991 1.00 53.14 ATOM 1085 HD1 HIS 68 1.616 -24.065 31.503 1.00 33.44 ATOM 1086 CD2 HIS 68 3.243 -22.486 29.350 1.00 20.22 ATOM 1087 HD2 HIS 68 3.523 -22.114 28.374 1.00 65.14 ATOM 1088 CE1 HIS 68 3.240 -22.830 31.509 1.00 45.11 ATOM 1089 HE1 HIS 68 3.503 -22.794 32.557 1.00 65.34 ATOM 1090 NE2 HIS 68 3.867 -22.202 30.538 1.00 1.32 ATOM 1091 HE2 HIS 68 4.764 -21.815 30.619 1.00 38.53 ATOM 1092 C HIS 68 -0.988 -23.695 27.501 1.00 14.23 ATOM 1093 O HIS 68 -1.458 -24.832 27.548 1.00 20.44 ATOM 1094 N VAL 69 -1.181 -22.873 26.472 1.00 52.51 ATOM 1095 HN VAL 69 -0.801 -21.973 26.511 1.00 38.53 ATOM 1096 CA VAL 69 -1.934 -23.273 25.279 1.00 75.43 ATOM 1097 HA VAL 69 -2.851 -23.748 25.604 1.00 71.21 ATOM 1098 CB VAL 69 -2.302 -22.042 24.407 1.00 31.42 ATOM 1099 HB VAL 69 -1.387 -21.627 24.006 1.00 71.02 ATOM 1100 CG1 VAL 69 -3.189 -22.448 23.230 1.00 63.54 ATOM 1101 HG11 VAL 69 -4.097 -22.902 23.600 1.00 41.10 ATOM 1102 HG12 VAL 69 -2.661 -23.156 22.608 1.00 34.45 ATOM 1103 HG13 VAL 69 -3.437 -21.573 22.643 1.00 53.22 ATOM 1104 CG2 VAL 69 -2.978 -20.961 25.249 1.00 5.22 ATOM 1105 HG21 VAL 69 -3.219 -20.113 24.623 1.00 44.30 ATOM 1106 HG22 VAL 69 -2.311 -20.648 26.037 1.00 10.35 ATOM 1107 HG23 VAL 69 -3.885 -21.356 25.682 1.00 73.12 ATOM 1108 C VAL 69 -1.124 -24.268 24.431 1.00 55.31 ATOM 1109 O VAL 69 -0.028 -23.952 23.958 1.00 14.41 ATOM 1110 N THR 70 -1.660 -25.469 24.250 1.00 22.13 ATOM 1111 HN THR 70 -2.549 -25.656 24.622 1.00 38.53 ATOM 1112 CA THR 70 -0.962 -26.518 23.493 1.00 53.13 ATOM 1113 HA THR 70 0.099 -26.312 23.539 1.00 34.54 ATOM 1114 CB THR 70 -1.206 -27.929 24.090 1.00 13.41 ATOM 1115 HB THR 70 -0.517 -28.621 23.625 1.00 34.43 ATOM 1116 OG1 THR 70 -2.549 -28.363 23.821 1.00 62.04 ATOM 1117 HG1 THR 70 -3.170 -27.671 24.079 1.00 74.15 ATOM 1118 CG2 THR 70 -0.961 -27.943 25.596 1.00 60.15 ATOM 1119 HG21 THR 70 0.055 -27.633 25.802 1.00 64.42 ATOM 1120 HG22 THR 70 -1.113 -28.943 25.977 1.00 71.14 ATOM 1121 HG23 THR 70 -1.650 -27.265 26.080 1.00 71.33 ATOM 1122 C THR 70 -1.395 -26.539 22.023 1.00 41.14 ATOM 1123 O THR 70 -2.309 -25.821 21.615 1.00 42.14 ATOM 1124 N GLN 71 -0.733 -27.379 21.231 1.00 4.14 ATOM 1125 HN GLN 71 0.011 -27.900 21.604 1.00 38.53 ATOM 1126 CA GLN 71 -1.081 -27.553 19.818 1.00 52.52 ATOM 1127 HA GLN 71 -1.038 -26.581 19.344 1.00 54.21 ATOM 1128 CB GLN 71 -0.048 -28.480 19.155 1.00 44.22 ATOM 1129 HB1 GLN 71 -0.123 -29.461 19.603 1.00 38.53 ATOM 1130 HB2 GLN 71 0.940 -28.086 19.350 1.00 15.22 ATOM 1131 CG GLN 71 -0.202 -28.632 17.646 1.00 23.45 ATOM 1132 HG1 GLN 71 -0.297 -27.650 17.206 1.00 38.53 ATOM 1133 HG2 GLN 71 -1.097 -29.204 17.441 1.00 30.44 ATOM 1134 CD GLN 71 0.986 -29.337 17.006 1.00 10.12 ATOM 1135 OE1 GLN 71 2.117 -29.231 17.475 1.00 43.02 ATOM 1136 NE2 GLN 71 0.743 -30.064 15.936 1.00 64.22 ATOM 1137 HE21 GLN 71 -0.176 -30.116 15.613 1.00 1.14 ATOM 1138 HE22 GLN 71 1.498 -30.524 15.512 1.00 23.30 ATOM 1139 C GLN 71 -2.509 -28.111 19.675 1.00 13.14 ATOM 1140 O GLN 71 -3.205 -27.841 18.691 1.00 31.21 ATOM 1141 N GLU 72 -2.944 -28.854 20.695 1.00 4.04 ATOM 1142 HN GLU 72 -2.341 -29.014 21.451 1.00 38.53 ATOM 1143 CA GLU 72 -4.291 -29.434 20.733 1.00 34.44 ATOM 1144 HA GLU 72 -4.404 -30.084 19.877 1.00 53.43 ATOM 1145 CB GLU 72 -4.480 -30.253 22.016 1.00 62.43 ATOM 1146 HB1 GLU 72 -5.402 -30.814 21.936 1.00 38.53 ATOM 1147 HB2 GLU 72 -4.561 -29.571 22.853 1.00 3.14 ATOM 1148 CG GLU 72 -3.348 -31.233 22.311 1.00 60.22 ATOM 1149 HG1 GLU 72 -2.411 -30.693 22.315 1.00 38.53 ATOM 1150 HG2 GLU 72 -3.325 -31.983 21.533 1.00 71.03 ATOM 1151 CD GLU 72 -3.514 -31.927 23.656 1.00 53.01 ATOM 1152 OE1 GLU 72 -3.173 -33.124 23.761 1.00 42.50 ATOM 1153 OE2 GLU 72 -3.986 -31.280 24.614 1.00 42.44 ATOM 1154 C GLU 72 -5.367 -28.342 20.682 1.00 3.42 ATOM 1155 O GLU 72 -6.318 -28.423 19.903 1.00 32.12 ATOM 1156 N ASP 73 -5.201 -27.318 21.519 1.00 22.24 ATOM 1157 HN ASP 73 -4.407 -27.300 22.094 1.00 38.53 ATOM 1158 CA ASP 73 -6.168 -26.220 21.617 1.00 44.11 ATOM 1159 HA ASP 73 -7.113 -26.643 21.931 1.00 21.41 ATOM 1160 CB ASP 73 -5.701 -25.213 22.675 1.00 43.23 ATOM 1161 HB1 ASP 73 -6.441 -24.430 22.772 1.00 38.53 ATOM 1162 HB2 ASP 73 -4.763 -24.776 22.360 1.00 21.32 ATOM 1163 CG ASP 73 -5.502 -25.862 24.036 1.00 14.42 ATOM 1164 OD1 ASP 73 -4.355 -26.244 24.356 1.00 74.41 ATOM 1165 OD2 ASP 73 -6.490 -26.004 24.781 1.00 14.32 ATOM 1166 C ASP 73 -6.371 -25.521 20.261 1.00 65.03 ATOM 1167 O ASP 73 -7.495 -25.169 19.892 1.00 50.05 ATOM 1168 N PHE 74 -5.281 -25.338 19.517 1.00 23.43 ATOM 1169 HN PHE 74 -4.413 -25.625 19.872 1.00 38.53 ATOM 1170 CA PHE 74 -5.342 -24.718 18.185 1.00 2.04 ATOM 1171 HA PHE 74 -5.802 -23.746 18.303 1.00 32.35 ATOM 1172 CB PHE 74 -3.932 -24.526 17.615 1.00 64.31 ATOM 1173 HB1 PHE 74 -3.996 -24.402 16.543 1.00 38.53 ATOM 1174 HB2 PHE 74 -3.341 -25.405 17.832 1.00 72.02 ATOM 1175 CG PHE 74 -3.210 -23.331 18.182 1.00 73.41 ATOM 1176 CD1 PHE 74 -2.532 -23.416 19.388 1.00 1.15 ATOM 1177 HD1 PHE 74 -2.520 -24.354 19.925 1.00 33.31 ATOM 1178 CD2 PHE 74 -3.214 -22.120 17.504 1.00 2.01 ATOM 1179 HD2 PHE 74 -3.738 -22.041 16.562 1.00 44.43 ATOM 1180 CE1 PHE 74 -1.876 -22.318 19.907 1.00 61.24 ATOM 1181 HE1 PHE 74 -1.351 -22.397 20.848 1.00 53.42 ATOM 1182 CE2 PHE 74 -2.558 -21.020 18.019 1.00 53.00 ATOM 1183 HE2 PHE 74 -2.569 -20.083 17.481 1.00 21.43 ATOM 1184 CZ PHE 74 -1.887 -21.119 19.221 1.00 61.23 ATOM 1185 HZ PHE 74 -1.374 -20.260 19.627 1.00 63.24 ATOM 1186 C PHE 74 -6.197 -25.537 17.205 1.00 11.04 ATOM 1187 O PHE 74 -7.132 -25.012 16.600 1.00 42.44 ATOM 1188 N GLU 75 -5.878 -26.822 17.044 1.00 62.33 ATOM 1189 HN GLU 75 -5.120 -27.196 17.548 1.00 38.53 ATOM 1190 CA GLU 75 -6.638 -27.686 16.129 1.00 40.44 ATOM 1191 HA GLU 75 -6.696 -27.159 15.183 1.00 13.53 ATOM 1192 CB GLU 75 -5.909 -29.015 15.884 1.00 61.21 ATOM 1193 HB1 GLU 75 -5.039 -28.819 15.272 1.00 38.53 ATOM 1194 HB2 GLU 75 -6.570 -29.676 15.340 1.00 61.44 ATOM 1195 CG GLU 75 -5.450 -29.740 17.140 1.00 41.45 ATOM 1196 HG1 GLU 75 -6.319 -30.073 17.691 1.00 38.53 ATOM 1197 HG2 GLU 75 -4.880 -29.052 17.751 1.00 1.03 ATOM 1198 CD GLU 75 -4.581 -30.944 16.814 1.00 40.04 ATOM 1199 OE1 GLU 75 -5.103 -32.077 16.809 1.00 1.12 ATOM 1200 OE2 GLU 75 -3.383 -30.756 16.512 1.00 61.14 ATOM 1201 C GLU 75 -8.080 -27.911 16.616 1.00 11.20 ATOM 1202 O GLU 75 -8.996 -28.084 15.809 1.00 64.41 ATOM 1203 N MET 76 -8.285 -27.902 17.932 1.00 54.40 ATOM 1204 HN MET 76 -7.511 -27.887 18.538 1.00 38.53 ATOM 1205 CA MET 76 -9.641 -27.917 18.495 1.00 12.24 ATOM 1206 HA MET 76 -10.161 -28.770 18.077 1.00 22.44 ATOM 1207 CB MET 76 -9.593 -28.065 20.022 1.00 2.53 ATOM 1208 HB1 MET 76 -10.568 -27.830 20.428 1.00 38.53 ATOM 1209 HB2 MET 76 -8.872 -27.364 20.418 1.00 52.41 ATOM 1210 CG MET 76 -9.207 -29.462 20.487 1.00 14.13 ATOM 1211 HG1 MET 76 -9.205 -29.485 21.567 1.00 38.53 ATOM 1212 HG2 MET 76 -8.217 -29.691 20.121 1.00 32.32 ATOM 1213 SD MET 76 -10.345 -30.725 19.882 1.00 63.02 ATOM 1214 CE MET 76 -11.901 -30.139 20.558 1.00 31.54 ATOM 1215 HE1 MET 76 -12.127 -29.162 20.150 1.00 34.32 ATOM 1216 HE2 MET 76 -11.824 -30.072 21.634 1.00 4.21 ATOM 1217 HE3 MET 76 -12.688 -30.829 20.296 1.00 33.32 ATOM 1218 C MET 76 -10.404 -26.640 18.105 1.00 73.42 ATOM 1219 O MET 76 -11.617 -26.666 17.871 1.00 15.14 ATOM 1220 N ALA 77 -9.681 -25.525 18.040 1.00 12.13 ATOM 1221 HN ALA 77 -8.745 -25.545 18.337 1.00 38.53 ATOM 1222 CA ALA 77 -10.243 -24.264 17.553 1.00 61.12 ATOM 1223 HA ALA 77 -11.173 -24.091 18.078 1.00 52.31 ATOM 1224 CB ALA 77 -9.301 -23.107 17.866 1.00 73.22 ATOM 1225 HB1 ALA 77 -9.742 -22.179 17.529 1.00 1.24 ATOM 1226 HB2 ALA 77 -8.358 -23.260 17.361 1.00 44.53 ATOM 1227 HB3 ALA 77 -9.133 -23.058 18.932 1.00 43.23 ATOM 1228 C ALA 77 -10.533 -24.337 16.044 1.00 54.43 ATOM 1229 O ALA 77 -11.528 -23.794 15.569 1.00 74.50 ATOM 1230 N VAL 78 -9.659 -25.018 15.299 1.00 65.41 ATOM 1231 HN VAL 78 -8.837 -25.349 15.717 1.00 38.53 ATOM 1232 CA VAL 78 -9.887 -25.269 13.869 1.00 50.34 ATOM 1233 HA VAL 78 -9.937 -24.310 13.368 1.00 3.44 ATOM 1234 CB VAL 78 -8.726 -26.087 13.242 1.00 32.11 ATOM 1235 HB VAL 78 -8.612 -26.999 13.811 1.00 50.33 ATOM 1236 CG1 VAL 78 -9.038 -26.471 11.794 1.00 21.33 ATOM 1237 HG11 VAL 78 -9.919 -27.097 11.767 1.00 2.20 ATOM 1238 HG12 VAL 78 -8.202 -27.012 11.375 1.00 41.32 ATOM 1239 HG13 VAL 78 -9.217 -25.578 11.212 1.00 55.14 ATOM 1240 CG2 VAL 78 -7.413 -25.311 13.322 1.00 5.11 ATOM 1241 HG21 VAL 78 -7.505 -24.385 12.771 1.00 72.03 ATOM 1242 HG22 VAL 78 -6.616 -25.904 12.897 1.00 21.24 ATOM 1243 HG23 VAL 78 -7.184 -25.094 14.356 1.00 54.43 ATOM 1244 C VAL 78 -11.210 -26.017 13.645 1.00 12.31 ATOM 1245 O VAL 78 -12.037 -25.607 12.832 1.00 43.34 ATOM 1246 N ALA 79 -11.409 -27.109 14.382 1.00 73.10 ATOM 1247 HN ALA 79 -10.690 -27.426 14.969 1.00 38.53 ATOM 1248 CA ALA 79 -12.668 -27.862 14.320 1.00 65.11 ATOM 1249 HA ALA 79 -12.797 -28.212 13.303 1.00 65.24 ATOM 1250 CB ALA 79 -12.594 -29.079 15.234 1.00 31.11 ATOM 1251 HB1 ALA 79 -11.770 -29.710 14.931 1.00 11.53 ATOM 1252 HB2 ALA 79 -13.517 -29.639 15.168 1.00 40.44 ATOM 1253 HB3 ALA 79 -12.442 -28.756 16.253 1.00 43.21 ATOM 1254 C ALA 79 -13.869 -26.978 14.700 1.00 55.41 ATOM 1255 O ALA 79 -14.951 -27.095 14.124 1.00 72.33 ATOM 1256 N LYS 80 -13.659 -26.089 15.669 1.00 40.22 ATOM 1257 HN LYS 80 -12.774 -26.053 16.092 1.00 38.53 ATOM 1258 CA LYS 80 -14.701 -25.162 16.126 1.00 70.10 ATOM 1259 HA LYS 80 -15.573 -25.746 16.383 1.00 31.45 ATOM 1260 CB LYS 80 -14.210 -24.420 17.384 1.00 71.54 ATOM 1261 HB1 LYS 80 -13.308 -23.878 17.131 1.00 38.53 ATOM 1262 HB2 LYS 80 -13.967 -25.154 18.143 1.00 32.02 ATOM 1263 CG LYS 80 -15.213 -23.425 17.986 1.00 72.02 ATOM 1264 HG1 LYS 80 -15.839 -23.040 17.192 1.00 38.53 ATOM 1265 HG2 LYS 80 -14.665 -22.608 18.431 1.00 51.25 ATOM 1266 CD LYS 80 -16.110 -24.052 19.060 1.00 63.32 ATOM 1267 HD1 LYS 80 -16.704 -23.270 19.514 1.00 38.53 ATOM 1268 HD2 LYS 80 -15.483 -24.504 19.815 1.00 34.31 ATOM 1269 CE LYS 80 -17.046 -25.120 18.504 1.00 3.40 ATOM 1270 HE1 LYS 80 -16.454 -25.910 18.064 1.00 38.53 ATOM 1271 HE2 LYS 80 -17.672 -24.675 17.745 1.00 41.35 ATOM 1272 NZ LYS 80 -17.914 -25.702 19.562 1.00 50.42 ATOM 1273 HZ1 LYS 80 -18.538 -26.427 19.157 1.00 21.53 ATOM 1274 HZ2 LYS 80 -18.504 -24.961 19.991 1.00 13.20 ATOM 1275 HZ3 LYS 80 -17.332 -26.138 20.305 1.00 2.11 ATOM 1276 C LYS 80 -15.085 -24.147 15.028 1.00 2.24 ATOM 1277 O LYS 80 -16.265 -23.963 14.724 1.00 3.05 ATOM 1278 N VAL 81 -14.082 -23.503 14.432 1.00 5.33 ATOM 1279 HN VAL 81 -13.161 -23.737 14.674 1.00 38.53 ATOM 1280 CA VAL 81 -14.310 -22.450 13.429 1.00 0.22 ATOM 1281 HA VAL 81 -15.146 -21.851 13.767 1.00 64.13 ATOM 1282 CB VAL 81 -13.075 -21.519 13.307 1.00 52.20 ATOM 1283 HB VAL 81 -12.228 -22.121 13.003 1.00 14.31 ATOM 1284 CG1 VAL 81 -13.296 -20.440 12.243 1.00 14.12 ATOM 1285 HG11 VAL 81 -14.151 -19.836 12.513 1.00 22.42 ATOM 1286 HG12 VAL 81 -13.474 -20.906 11.284 1.00 33.54 ATOM 1287 HG13 VAL 81 -12.419 -19.811 12.178 1.00 1.24 ATOM 1288 CG2 VAL 81 -12.747 -20.886 14.660 1.00 44.42 ATOM 1289 HG21 VAL 81 -13.601 -20.323 15.011 1.00 2.05 ATOM 1290 HG22 VAL 81 -11.900 -20.224 14.555 1.00 24.40 ATOM 1291 HG23 VAL 81 -12.510 -21.661 15.375 1.00 0.52 ATOM 1292 C VAL 81 -14.650 -23.025 12.041 1.00 72.05 ATOM 1293 O VAL 81 -15.627 -22.611 11.412 1.00 34.40 ATOM 1294 N MET 82 -13.839 -23.968 11.560 1.00 43.35 ATOM 1295 HN MET 82 -13.069 -24.251 12.094 1.00 38.53 ATOM 1296 CA MET 82 -14.067 -24.588 10.245 1.00 1.23 ATOM 1297 HA MET 82 -14.278 -23.792 9.545 1.00 20.33 ATOM 1298 CB MET 82 -12.814 -25.338 9.772 1.00 71.12 ATOM 1299 HB1 MET 82 -13.013 -25.777 8.805 1.00 38.53 ATOM 1300 HB2 MET 82 -12.595 -26.128 10.477 1.00 64.33 ATOM 1301 CG MET 82 -11.578 -24.452 9.649 1.00 35.14 ATOM 1302 HG1 MET 82 -10.763 -25.044 9.255 1.00 38.53 ATOM 1303 HG2 MET 82 -11.312 -24.089 10.631 1.00 71.53 ATOM 1304 SD MET 82 -11.835 -23.029 8.566 1.00 50.01 ATOM 1305 CE MET 82 -12.216 -23.830 7.009 1.00 74.12 ATOM 1306 HE1 MET 82 -13.104 -24.436 7.122 1.00 33.30 ATOM 1307 HE2 MET 82 -11.388 -24.457 6.714 1.00 1.20 ATOM 1308 HE3 MET 82 -12.386 -23.080 6.251 1.00 1.02 ATOM 1309 C MET 82 -15.279 -25.539 10.274 1.00 62.43 ATOM 1310 O MET 82 -15.834 -25.878 9.228 1.00 74.20 ATOM 1311 N GLN 83 -15.666 -25.974 11.481 1.00 74.02 ATOM 1312 HN GLN 83 -15.103 -25.769 12.256 1.00 38.53 ATOM 1313 CA GLN 83 -16.904 -26.750 11.693 1.00 40.24 ATOM 1314 HA GLN 83 -17.008 -26.909 12.756 1.00 64.41 ATOM 1315 CB GLN 83 -18.118 -25.946 11.197 1.00 33.41 ATOM 1316 HB1 GLN 83 -19.017 -26.509 11.405 1.00 38.53 ATOM 1317 HB2 GLN 83 -18.031 -25.808 10.128 1.00 41.25 ATOM 1318 CG GLN 83 -18.255 -24.570 11.844 1.00 35.45 ATOM 1319 HG1 GLN 83 -17.321 -24.038 11.726 1.00 38.53 ATOM 1320 HG2 GLN 83 -18.461 -24.700 12.897 1.00 54.31 ATOM 1321 CD GLN 83 -19.371 -23.739 11.235 1.00 73.41 ATOM 1322 OE1 GLN 83 -20.382 -24.269 10.779 1.00 31.24 ATOM 1323 NE2 GLN 83 -19.190 -22.435 11.204 1.00 41.53 ATOM 1324 HE21 GLN 83 -18.357 -22.075 11.570 1.00 34.22 ATOM 1325 HE22 GLN 83 -19.896 -21.882 10.811 1.00 1.02 ATOM 1326 C GLN 83 -16.873 -28.126 11.001 1.00 12.43 ATOM 1327 O GLN 83 -17.918 -28.658 10.620 1.00 25.02 ATOM 1328 N LYS 84 -15.688 -28.719 10.868 1.00 71.54 ATOM 1329 HN LYS 84 -14.890 -28.288 11.233 1.00 38.53 ATOM 1330 CA LYS 84 -15.561 -30.011 10.184 1.00 74.14 ATOM 1331 HA LYS 84 -16.423 -30.608 10.450 1.00 24.14 ATOM 1332 CB LYS 84 -15.563 -29.800 8.665 1.00 25.24 ATOM 1333 HB1 LYS 84 -16.479 -29.295 8.387 1.00 38.53 ATOM 1334 HB2 LYS 84 -15.536 -30.765 8.180 1.00 32.14 ATOM 1335 CG LYS 84 -14.385 -28.970 8.151 1.00 13.30 ATOM 1336 HG1 LYS 84 -13.465 -29.504 8.346 1.00 38.53 ATOM 1337 HG2 LYS 84 -14.368 -28.024 8.673 1.00 40.35 ATOM 1338 CD LYS 84 -14.494 -28.703 6.653 1.00 24.24 ATOM 1339 HD1 LYS 84 -13.630 -28.132 6.334 1.00 38.53 ATOM 1340 HD2 LYS 84 -15.391 -28.131 6.464 1.00 5.51 ATOM 1341 CE LYS 84 -14.557 -29.996 5.850 1.00 2.32 ATOM 1342 HE1 LYS 84 -15.361 -30.608 6.235 1.00 38.53 ATOM 1343 HE2 LYS 84 -13.620 -30.522 5.962 1.00 54.44 ATOM 1344 NZ LYS 84 -14.795 -29.744 4.406 1.00 23.14 ATOM 1345 HZ1 LYS 84 -15.666 -29.189 4.277 1.00 5.25 ATOM 1346 HZ2 LYS 84 -14.898 -30.649 3.900 1.00 3.24 ATOM 1347 HZ3 LYS 84 -13.996 -29.218 3.999 1.00 40.13 ATOM 1348 C LYS 84 -14.297 -30.777 10.601 1.00 30.24 ATOM 1349 O LYS 84 -13.309 -30.187 11.040 1.00 32.21 ATOM 1350 N ASP 85 -14.347 -32.097 10.446 1.00 64.21 ATOM 1351 HN ASP 85 -15.183 -32.500 10.131 1.00 38.53 ATOM 1352 CA ASP 85 -13.207 -32.976 10.728 1.00 53.32 ATOM 1353 HA ASP 85 -12.375 -32.362 11.046 1.00 53.34 ATOM 1354 CB ASP 85 -13.573 -33.951 11.859 1.00 23.41 ATOM 1355 HB1 ASP 85 -14.449 -34.515 11.566 1.00 38.53 ATOM 1356 HB2 ASP 85 -13.803 -33.385 12.751 1.00 31.44 ATOM 1357 CG ASP 85 -12.455 -34.927 12.189 1.00 34.24 ATOM 1358 OD1 ASP 85 -11.455 -34.504 12.803 1.00 20.23 ATOM 1359 OD2 ASP 85 -12.578 -36.125 11.852 1.00 22.22 ATOM 1360 C ASP 85 -12.799 -33.747 9.460 1.00 31.23 ATOM 1361 O ASP 85 -13.459 -34.717 9.075 1.00 22.34 ATOM 1362 N SER 86 -11.721 -33.302 8.808 1.00 1.14 ATOM 1363 HN SER 86 -11.222 -32.543 9.181 1.00 38.53 ATOM 1364 HA SER 86 -11.131 -34.976 7.730 1.00 10.44 ATOM 1365 CB SER 86 -12.294 -33.726 6.430 1.00 33.13 ATOM 1366 HB1 SER 86 -13.210 -34.229 6.705 1.00 38.53 ATOM 1367 HB2 SER 86 -11.916 -34.151 5.511 1.00 33.12 ATOM 1368 OG SER 86 -12.576 -32.351 6.211 1.00 31.01 ATOM 1369 HG SER 86 -11.751 -31.854 6.223 1.00 4.44 ATOM 1370 CA SER 86 -11.254 -33.916 7.549 1.00 23.33 ATOM 1371 C SER 86 -9.899 -33.335 7.100 1.00 41.10 ATOM 1372 OT1 SER 86 -8.878 -34.056 7.180 1.00 38.53 ATOM 1373 OT2 SER 86 -9.858 -32.158 6.672 1.00 38.53 ATOM 1374 OH2 TIP3 1 -15.049 -27.257 0.737 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -15.090 -28.148 0.314 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -15.967 -27.111 1.079 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -17.833 -24.631 -0.495 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.668 -24.194 -0.685 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -17.504 -24.920 -1.383 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -16.249 -32.246 4.284 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.067 -32.987 3.672 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -16.499 -32.689 5.123 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -16.076 -31.897 1.135 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -16.955 -31.678 1.471 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -15.935 -32.828 1.424 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -15.047 -29.765 -0.278 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -15.488 -30.514 0.176 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -14.565 -30.177 -1.000 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -19.734 -37.354 5.668 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -19.310 -37.560 6.535 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -20.624 -37.703 5.753 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.348 -37.875 7.945 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -17.420 -37.940 7.662 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -18.288 -37.670 8.896 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -20.869 -30.464 12.838 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -20.313 -30.629 12.039 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -20.221 -30.425 13.573 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -7.708 -39.571 12.373 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -8.151 -39.017 11.699 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -8.351 -40.284 12.548 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -11.374 -39.544 9.982 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -12.083 -38.933 9.687 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -10.573 -38.982 10.005 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -18.084 -32.377 8.699 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.514 -33.066 9.094 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -18.056 -32.567 7.749 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.266 -36.217 5.039 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -18.159 -36.580 5.233 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.172 -36.315 4.083 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -16.112 -36.126 14.146 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -16.556 -36.624 14.843 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -15.278 -35.814 14.568 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -22.992 -31.947 11.855 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -22.262 -31.392 12.198 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -22.898 -32.777 12.328 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -15.459 -24.849 6.769 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.497 -23.878 6.901 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -15.740 -25.220 7.630 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -12.900 -24.921 3.212 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -12.727 -25.676 2.605 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -13.183 -24.206 2.626 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.342 -28.702 15.690 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.381 -29.527 16.219 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -21.948 -28.868 14.938 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -18.913 -26.131 5.998 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -18.692 -25.189 6.148 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.586 -26.323 6.669 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -14.806 -26.275 4.566 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -15.055 -25.737 5.357 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -14.125 -25.735 4.117 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -11.129 -39.342 14.559 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -10.511 -39.001 15.238 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -11.918 -39.613 15.076 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -17.191 -34.762 11.960 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.841 -35.203 12.764 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -17.488 -33.879 12.281 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -18.617 -30.179 14.534 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -18.287 -29.316 14.249 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -18.568 -30.142 15.513 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -22.762 -29.909 3.755 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -23.539 -29.465 4.141 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -22.667 -30.713 4.271 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -12.554 -33.098 16.057 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -12.889 -32.450 16.686 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -12.138 -32.553 15.344 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -13.097 -39.237 4.263 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -12.883 -40.121 4.641 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -13.799 -38.886 4.858 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -19.161 -30.917 10.772 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.756 -30.035 10.607 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.927 -31.441 9.971 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.532 -27.074 14.423 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -20.078 -27.665 14.988 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -20.096 -26.890 13.663 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -24.543 -27.936 4.702 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -23.731 -27.501 4.352 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -25.265 -27.485 4.249 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.888 -32.261 12.796 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.048 -31.643 13.537 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.360 -31.854 12.042 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -16.858 -33.871 6.494 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -16.482 -34.163 7.340 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.045 -34.708 6.013 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.171 -34.228 9.417 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.513 -34.563 10.277 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -15.313 -34.683 9.307 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -16.982 -27.853 4.626 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.596 -27.428 5.259 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.287 -27.171 4.474 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -17.180 -37.079 10.448 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -17.464 -36.267 10.914 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -16.450 -37.430 11.009 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -22.546 -26.473 16.790 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -23.259 -26.497 16.110 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -21.970 -27.230 16.554 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -17.566 -26.630 1.361 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -18.329 -26.612 1.972 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -17.750 -25.908 0.727 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.702 -29.689 17.316 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.526 -30.202 17.458 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -18.387 -29.490 18.219 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -13.710 -31.520 2.545 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -13.351 -32.426 2.660 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -14.456 -31.636 1.925 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -13.700 -35.489 15.232 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -13.006 -35.660 14.578 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -13.426 -34.647 15.657 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -15.421 -36.871 2.081 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.595 -37.707 1.640 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -14.478 -36.931 2.345 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -14.105 -37.404 17.177 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -13.946 -36.770 16.451 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -14.013 -36.862 17.988 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -12.306 -33.627 20.936 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -11.495 -33.652 20.389 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -11.980 -33.416 21.834 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -12.941 -37.319 9.415 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -12.992 -36.496 8.894 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -12.783 -37.005 10.335 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -15.548 -34.206 2.452 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -14.582 -34.195 2.648 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -15.739 -35.155 2.271 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.479 -37.746 8.362 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -14.581 -37.788 8.752 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.060 -37.546 9.122 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -11.192 -36.259 17.587 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -10.753 -37.129 17.537 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -10.979 -35.839 16.735 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -9.794 -38.588 16.908 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -8.808 -38.615 16.922 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -10.059 -39.362 17.417 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -14.979 -37.441 11.997 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -14.070 -37.076 11.941 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.329 -37.080 12.833 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -12.961 -39.828 16.609 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -13.330 -38.930 16.779 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -13.420 -40.391 17.235 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -22.769 -28.567 13.320 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -22.122 -29.245 13.026 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -23.330 -28.413 12.524 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -21.358 -24.081 15.942 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -20.425 -24.294 15.728 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -21.659 -24.847 16.477 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -24.388 -28.112 11.164 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -24.615 -29.032 10.880 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -24.497 -27.580 10.352 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -25.547 -28.809 7.149 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -25.123 -28.129 7.697 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -25.216 -28.628 6.247 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -24.798 -30.626 10.306 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -24.180 -31.153 10.867 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -24.820 -31.100 9.471 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -22.167 -27.244 3.408 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -21.241 -26.989 3.234 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -22.171 -28.215 3.296 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -13.290 -29.558 27.565 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -13.025 -30.237 26.903 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -14.035 -29.966 28.043 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -18.894 -28.709 25.526 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -18.283 -28.016 25.199 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -18.391 -29.537 25.414 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -21.242 -29.717 21.675 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -21.494 -29.066 22.359 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -20.317 -29.948 21.899 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -16.445 -29.505 27.274 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -16.095 -29.778 28.148 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -16.190 -28.562 27.199 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -16.855 -30.426 24.733 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -15.974 -30.409 24.306 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -16.658 -30.283 25.686 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -14.280 -30.061 23.731 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -13.542 -30.325 24.317 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -14.262 -30.730 23.007 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -15.163 -29.727 29.712 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -15.760 -29.047 30.084 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -14.368 -29.681 30.277 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.986 -26.676 21.160 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.065 -27.132 22.022 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.703 -26.013 21.181 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -11.837 -29.749 40.396 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -10.874 -29.752 40.220 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -12.168 -28.995 39.878 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -18.586 -29.666 22.657 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.929 -28.904 23.156 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -17.961 -30.095 23.279 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -16.059 -26.339 21.643 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -15.169 -26.705 21.497 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -16.369 -26.774 22.461 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -9.830 -29.624 32.042 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -9.275 -30.348 32.396 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -9.335 -28.821 32.258 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -18.358 -28.674 20.079 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -18.220 -29.181 20.905 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -19.113 -28.089 20.286 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -12.246 -27.775 25.709 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -11.281 -27.965 25.689 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -12.590 -28.378 26.396 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -14.445 -27.347 24.233 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -13.599 -27.368 24.743 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -14.550 -28.275 23.922 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -15.286 -25.368 30.350 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -14.477 -25.868 30.126 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -15.964 -26.063 30.491 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -14.442 -31.988 21.763 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -15.228 -32.378 21.368 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -13.710 -32.567 21.463 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -22.128 -31.847 20.040 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -22.564 -32.482 20.613 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -21.895 -31.106 20.635 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -21.619 -28.432 19.236 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -22.360 -27.798 19.346 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -21.514 -28.834 20.124 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -23.967 -27.448 21.854 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -23.946 -27.248 20.893 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -24.741 -28.006 21.962 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -13.571 -27.259 29.060 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.071 -27.427 29.877 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -13.366 -28.036 28.494 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -19.651 -27.101 17.840 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -20.446 -27.427 18.312 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -19.365 -27.864 17.305 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -21.250 -30.629 17.729 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -21.538 -31.338 18.343 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -21.449 -29.800 18.218 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.411 -35.447 19.050 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -12.562 -35.677 18.613 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.147 -34.885 19.803 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -23.626 -26.568 19.302 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -23.792 -25.651 19.612 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -23.324 -26.453 18.371 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -11.126 -32.446 23.313 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -10.522 -33.191 23.092 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -10.528 -31.664 23.370 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -12.094 -30.843 25.458 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -11.289 -30.304 25.592 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -11.813 -31.535 24.823 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -12.431 -29.398 30.649 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -11.654 -29.480 31.239 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -12.163 -29.856 29.843 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -9.493 -34.285 22.194 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -8.621 -34.732 22.261 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -9.607 -34.127 21.240 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -19.017 -28.687 28.468 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -19.826 -28.569 27.959 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.382 -29.045 27.824 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.960 -27.551 29.911 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -16.670 -27.287 29.018 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -17.837 -27.967 29.760 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -14.581 -23.490 32.407 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -15.442 -23.081 32.279 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -14.597 -24.271 31.818 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -11.050 -28.081 36.820 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -11.815 -28.475 36.391 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -11.377 -27.823 37.708 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -9.208 -29.026 39.802 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -8.941 -28.091 39.681 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -8.976 -29.450 38.952 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -11.874 -27.203 39.292 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -11.752 -26.310 38.913 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -11.497 -27.132 40.194 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -12.221 -23.125 -7.719 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -11.302 -23.065 -7.353 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -12.114 -22.913 -8.654 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.216 -24.715 -6.692 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -13.750 -25.527 -6.456 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -13.518 -24.145 -7.090 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -14.223 -12.212 -4.469 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -13.967 -13.013 -3.974 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -14.746 -12.544 -5.205 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.807 -17.563 -2.984 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.182 -17.756 -3.714 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.784 -18.367 -2.432 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -13.093 -21.552 -5.583 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -13.887 -22.013 -5.235 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -12.806 -22.107 -6.335 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -11.092 -20.284 0.047 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -11.821 -19.633 -0.005 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -10.416 -19.842 0.598 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -16.842 -24.715 -7.500 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -15.888 -24.720 -7.260 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -16.846 -24.832 -8.458 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -7.413 -7.783 0.966 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -6.446 -7.685 0.829 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -7.752 -8.067 0.088 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -16.117 -15.238 -3.420 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -16.669 -15.446 -4.183 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -15.756 -16.119 -3.138 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -13.162 -15.743 -0.454 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -13.291 -16.717 -0.450 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -13.061 -15.518 0.483 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -11.599 -12.422 -2.312 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -12.227 -13.154 -2.442 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -12.147 -11.616 -2.412 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -15.203 -22.986 -4.619 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -16.122 -22.758 -4.895 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.987 -23.775 -5.146 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.385 -12.784 1.031 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.560 -13.050 0.108 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -16.026 -11.887 0.951 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -16.719 -13.037 -1.762 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -17.622 -12.860 -2.048 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -16.459 -13.832 -2.274 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.254 -19.774 -1.013 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.057 -20.675 -1.354 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -16.181 -19.816 -0.756 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -13.159 -18.423 0.153 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -13.917 -18.915 -0.240 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -13.263 -18.554 1.120 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -14.643 -22.319 -1.991 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -14.888 -22.642 -2.887 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.675 -23.120 -1.433 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -9.732 -9.992 -5.807 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -10.657 -10.213 -5.645 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -9.697 -9.013 -5.691 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -8.379 -8.965 -1.226 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -8.332 -8.411 -2.044 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -8.659 -9.852 -1.552 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.165 -10.897 -0.878 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -14.481 -10.646 -1.536 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -15.661 -11.621 -1.313 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.246 -17.581 -5.303 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.008 -16.642 -5.443 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -13.822 -17.803 -6.070 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -13.531 -14.427 -2.902 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -13.278 -14.895 -2.071 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.452 -14.724 -3.066 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -12.312 -15.998 2.597 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -11.350 -16.078 2.812 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -12.649 -16.916 2.673 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.391 -26.302 -5.281 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.299 -25.772 -6.097 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -18.042 -26.973 -5.506 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -12.964 -20.362 -3.061 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -13.456 -21.022 -2.533 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.032 -20.692 -3.977 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -16.708 -25.363 -2.831 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -17.010 -25.706 -3.703 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.816 -25.712 -2.735 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -17.596 -22.635 -5.848 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -18.551 -22.536 -5.792 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -17.463 -23.315 -6.538 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -7.898 -11.842 -4.906 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -8.640 -11.246 -5.155 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -7.531 -12.140 -5.767 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -14.976 -24.676 -0.284 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.940 -25.601 0.047 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -15.923 -24.442 -0.220 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -19.081 -16.365 3.731 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -18.381 -17.050 3.839 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -18.588 -15.554 3.512 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.284 -18.294 4.341 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -16.476 -18.841 4.347 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -17.715 -18.494 5.196 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -15.477 -14.790 7.144 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -14.840 -15.546 7.211 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -14.905 -14.007 7.094 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -24.604 -22.500 9.017 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -24.331 -23.141 8.330 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -23.846 -22.486 9.643 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -15.520 -22.066 7.160 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -16.441 -21.777 7.285 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -15.000 -21.410 7.640 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -25.151 -20.081 10.219 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -25.043 -20.936 9.747 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -25.901 -19.667 9.786 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -25.923 -26.379 12.626 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -25.990 -25.637 11.996 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -25.495 -27.092 12.111 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -17.342 -16.482 8.249 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -17.596 -15.920 9.007 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -16.773 -15.896 7.703 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -25.633 -24.399 10.707 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -25.390 -23.908 11.530 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -25.560 -23.725 10.004 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.844 -14.706 10.399 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.039 -15.242 10.466 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.558 -13.812 10.662 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.246 -9.942 9.848 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.754 -9.936 9.025 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.343 -9.660 9.576 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -10.857 -12.930 5.941 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -11.503 -13.582 5.604 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -11.081 -12.111 5.476 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -16.268 -14.929 16.024 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -16.344 -15.509 16.809 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.114 -15.556 15.281 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -21.017 -17.855 4.935 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -21.729 -17.219 5.061 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -20.352 -17.367 4.390 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -13.121 -18.740 2.952 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -13.914 -18.917 3.499 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -12.457 -19.376 3.293 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -16.702 -20.650 10.068 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -16.210 -19.945 10.497 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -16.339 -21.473 10.466 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -18.781 -18.450 6.680 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -18.595 -17.628 7.174 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -19.646 -18.284 6.252 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -17.125 -14.302 3.229 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.982 -13.741 2.431 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -16.420 -14.959 3.184 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -16.470 -10.021 6.024 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -16.466 -10.992 5.877 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -17.384 -9.764 5.853 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -25.315 -26.544 9.004 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -26.233 -26.893 8.919 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -25.408 -25.777 9.612 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -12.740 -13.321 1.885 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -12.476 -14.191 2.247 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -13.692 -13.397 1.758 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -24.850 -22.842 12.777 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -24.480 -21.946 12.771 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -24.636 -23.184 13.672 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -21.620 -22.427 6.281 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -22.392 -23.015 6.321 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -21.857 -21.760 5.593 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.538 -20.386 16.126 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.107 -20.000 15.430 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.076 -21.116 16.494 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.762 -18.656 7.111 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -16.557 -18.181 7.405 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.026 -18.027 7.298 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -18.118 -20.950 7.756 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.278 -20.074 7.337 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -17.637 -20.734 8.590 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.327 -22.458 10.510 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -21.780 -22.029 9.809 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -21.838 -23.278 10.723 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -13.321 -10.979 15.991 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -13.998 -11.588 15.616 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -13.108 -10.376 15.249 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -20.673 -21.417 8.675 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -21.110 -21.674 7.835 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -19.757 -21.206 8.410 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.793 -17.004 14.297 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -15.121 -16.775 13.614 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -16.411 -17.593 13.838 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -19.367 -26.998 3.397 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.619 -27.616 3.487 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -19.420 -26.565 4.273 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.020 -19.859 4.791 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.223 -19.451 5.666 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -14.941 -20.804 4.985 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -21.133 -19.688 13.685 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -21.877 -20.079 13.166 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -21.305 -18.741 13.660 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -13.688 -10.051 6.657 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -13.681 -11.036 6.585 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -14.599 -9.805 6.403 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -14.987 -16.786 10.071 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -15.854 -17.051 9.727 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -14.417 -16.742 9.265 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -14.037 -12.631 6.027 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -14.938 -12.645 5.647 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -13.599 -13.425 5.637 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -13.839 -13.524 12.914 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -13.854 -14.492 12.786 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -14.343 -13.173 12.152 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -12.827 -14.857 5.145 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -12.778 -15.310 4.281 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -12.568 -15.561 5.800 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -19.113 -23.463 6.902 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -19.941 -23.093 6.526 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.590 -22.676 7.143 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -22.091 -20.397 4.459 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -21.700 -19.554 4.767 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -22.138 -20.298 3.505 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -20.766 -25.180 8.262 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -20.629 -25.061 9.221 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -20.112 -24.578 7.850 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -15.863 -9.799 14.192 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -16.349 -9.424 14.966 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -15.827 -10.761 14.381 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -27.639 -27.973 8.755 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -28.037 -28.645 9.316 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -27.111 -28.480 8.107 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.735 -12.792 5.543 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.733 -13.542 6.170 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.033 -13.191 4.697 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -16.522 -16.800 18.074 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -16.053 -16.605 18.913 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -15.925 -17.432 17.610 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -23.104 -20.628 17.408 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -22.224 -20.791 17.011 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -23.177 -19.673 17.438 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -14.804 -18.270 16.569 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -15.033 -17.854 15.713 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -15.221 -19.161 16.520 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -24.203 -23.078 17.819 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -24.387 -23.384 16.909 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -23.872 -22.159 17.699 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -23.983 -23.916 15.154 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -23.029 -23.878 15.377 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -24.149 -24.865 14.977 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -23.260 -20.522 12.174 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -22.894 -21.272 11.654 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -23.959 -20.149 11.590 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -15.038 -19.619 23.662 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.710 -20.262 23.346 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -14.492 -19.431 22.849 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -20.847 -21.263 15.933 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -20.947 -20.799 15.073 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -21.199 -22.162 15.765 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.480 -22.208 16.938 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -19.328 -21.762 16.725 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.541 -23.063 16.473 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.708 -24.621 15.443 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -18.873 -25.541 15.133 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -17.834 -24.392 15.060 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -23.951 -24.035 20.313 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -24.619 -23.519 20.774 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -23.971 -23.680 19.387 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -10.043 -9.414 9.634 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -9.128 -9.164 9.903 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -10.271 -10.137 10.229 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -12.848 -13.918 17.771 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -13.768 -13.600 17.884 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -12.918 -14.892 17.901 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -13.882 -16.281 12.468 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -14.238 -16.571 11.595 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -12.927 -16.139 12.301 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -8.957 -19.381 1.544 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -8.524 -20.221 1.260 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -8.679 -19.274 2.475 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -10.204 -22.815 -0.495 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -10.951 -23.438 -0.328 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -10.606 -21.924 -0.370 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -17.408 -6.887 9.366 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.045 -7.047 10.071 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -16.545 -6.931 9.808 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.683 -12.294 11.289 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -16.203 -11.944 12.027 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.466 -11.503 10.752 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -23.413 -24.629 7.657 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.481 -24.881 7.844 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.931 -25.401 7.945 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -11.970 -6.691 6.599 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -11.919 -6.720 5.625 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -12.853 -6.287 6.782 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -15.332 -12.469 14.866 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -14.742 -12.896 14.197 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -15.787 -13.222 15.294 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -14.905 -16.847 23.612 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -15.045 -17.813 23.651 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -13.991 -16.728 23.920 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -13.862 -15.244 26.713 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -14.649 -15.757 26.979 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -13.448 -15.787 26.022 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -16.192 -24.067 28.019 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -15.912 -23.124 28.000 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -15.981 -24.358 28.932 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -16.509 -14.138 20.366 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -16.987 -14.800 20.893 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.006 -13.631 21.030 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -17.536 -15.985 35.735 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -18.009 -15.150 35.728 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -17.100 -16.023 34.857 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.686 -10.569 22.546 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -17.645 -10.481 22.533 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.368 -9.689 22.867 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -16.942 -18.198 37.152 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.112 -17.318 36.737 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -16.914 -18.815 36.391 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -18.275 -19.077 14.431 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.151 -19.414 14.171 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -18.476 -18.335 15.044 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -18.595 -16.938 16.152 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -17.997 -17.031 16.919 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.526 -16.007 15.909 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -13.113 -17.326 28.898 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -12.651 -16.496 28.709 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -13.965 -17.239 28.421 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.081 -17.001 20.523 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.583 -17.814 20.818 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.976 -16.381 21.259 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -9.608 -12.270 19.906 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -9.771 -12.331 20.858 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -9.589 -13.206 19.601 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.865 -19.939 34.165 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -13.074 -19.433 34.448 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.499 -20.790 33.850 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.528 -19.812 34.955 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.870 -19.628 34.070 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -15.553 -19.853 34.830 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.992 -23.447 20.884 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -18.938 -23.385 21.860 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -18.901 -22.522 20.581 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.143 -20.887 20.163 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -18.049 -19.909 20.248 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -18.086 -21.048 19.208 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.117 -15.526 22.736 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.810 -16.185 22.853 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -16.311 -15.956 23.105 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -24.211 -26.641 14.679 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -23.720 -27.376 14.256 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -24.981 -26.493 14.079 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -17.594 -24.692 25.686 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -17.139 -24.416 26.511 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -18.509 -24.862 25.963 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -15.788 -26.821 27.525 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -15.983 -25.863 27.514 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.940 -26.889 28.020 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.372 -18.551 32.303 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -15.024 -18.872 31.452 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -14.793 -18.977 32.971 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.542 -21.483 22.304 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.244 -21.275 21.646 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.702 -21.438 21.773 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -17.623 -18.202 20.333 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.738 -17.897 20.605 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -17.773 -17.758 19.485 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.185 -16.118 33.325 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -15.921 -17.010 32.996 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.058 -15.540 32.565 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -15.651 -13.142 22.788 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -16.308 -13.824 23.033 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -16.141 -12.297 22.857 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -15.579 -17.272 27.657 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -16.296 -17.322 28.302 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -15.728 -18.049 27.072 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -13.401 -16.535 18.255 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -13.658 -17.260 17.646 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -13.800 -16.789 19.106 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -11.993 -10.045 19.572 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -11.470 -9.965 20.403 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -12.905 -10.211 19.883 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.491 -13.263 18.050 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -15.946 -13.631 18.848 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -15.863 -13.779 17.305 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -18.347 -23.184 23.533 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -17.635 -22.581 23.231 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -17.943 -23.680 24.276 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -20.428 -25.021 24.116 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -21.167 -24.975 23.469 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -19.833 -24.296 23.848 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -20.565 -27.735 23.656 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -20.239 -28.164 24.475 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -20.636 -26.784 23.899 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -12.373 -21.937 32.890 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -13.103 -22.583 32.737 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -11.638 -22.269 32.338 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.075 -19.538 26.190 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -16.963 -19.824 25.939 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -15.583 -19.508 25.338 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -15.083 -10.614 18.094 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -14.409 -10.578 17.386 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.361 -11.562 18.108 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.563 -18.972 41.087 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -15.637 -18.407 41.862 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -16.401 -18.822 40.599 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -18.824 -20.864 38.838 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -18.476 -20.046 39.238 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -19.184 -21.357 39.580 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -10.831 -14.765 28.950 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -9.925 -14.396 28.895 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -11.380 -14.117 28.466 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.358 -19.044 37.597 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -14.357 -20.014 37.720 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.306 -18.807 37.563 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.269 -21.399 28.129 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -14.777 -20.918 28.826 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.519 -20.704 27.492 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -13.848 -19.680 30.055 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -13.132 -19.803 30.716 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -13.589 -18.862 29.580 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -10.950 -24.765 38.374 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -11.428 -24.341 39.124 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -11.038 -24.131 37.651 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -17.143 -27.002 24.233 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -16.197 -27.152 24.441 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -17.340 -26.130 24.633 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -22.250 -25.300 22.118 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -22.841 -26.078 22.217 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -22.732 -24.714 21.496 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -13.079 -12.363 22.429 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -13.901 -12.820 22.713 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -13.389 -11.712 21.777 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -12.365 -23.600 40.401 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -12.994 -23.628 41.151 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -12.452 -22.692 40.060 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -17.862 -18.372 39.686 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -18.538 -17.687 39.694 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -17.480 -18.322 38.774 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -14.337 -21.811 37.967 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.291 -21.857 37.709 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -14.358 -21.764 38.952 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -12.581 -17.234 36.772 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -13.235 -17.944 36.988 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.087 -16.610 36.193 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -12.900 -17.744 39.668 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -13.123 -17.366 38.805 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -13.701 -18.222 39.933 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -8.585 -17.155 40.025 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -8.283 -16.268 40.247 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -9.214 -17.014 39.281 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -13.432 -23.001 35.692 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -14.227 -23.328 35.255 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -13.764 -22.596 36.526 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -16.832 -21.591 37.076 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.633 -21.400 37.610 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.919 -21.009 36.297 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -14.534 -21.489 40.631 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -14.308 -21.896 41.493 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -14.850 -20.590 40.864 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -13.579 -22.844 42.815 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -12.702 -22.595 43.171 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.080 -23.148 43.604 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -12.625 -5.333 -4.343 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -12.864 -4.413 -4.117 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -12.031 -5.242 -5.121 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -11.694 -6.708 -1.337 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -12.567 -6.280 -1.211 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -11.512 -6.601 -2.279 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -12.756 0.679 -2.266 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.272 0.116 -1.646 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -13.226 0.581 -3.120 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -11.948 -1.254 -7.231 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -11.351 -1.777 -7.811 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -12.740 -1.831 -7.128 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -6.390 1.644 -4.303 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -7.353 1.667 -4.294 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -6.132 2.035 -3.443 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.287 -5.828 -1.113 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -14.829 -5.724 -1.903 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -14.576 -6.697 -0.737 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.150 1.147 -6.773 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -12.626 0.348 -7.007 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -13.193 1.649 -7.591 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -11.693 1.663 0.073 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -12.209 1.457 -0.733 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -10.954 2.216 -0.253 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.150 -8.214 -0.248 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.290 -9.164 -0.438 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -15.503 -8.096 0.657 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.200 0.022 -4.536 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.129 0.262 -4.623 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -13.767 0.453 -5.314 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -16.150 -7.500 2.226 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -17.021 -7.184 1.959 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -16.189 -7.502 3.214 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -12.824 2.110 3.898 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -13.700 2.322 3.556 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -13.006 1.580 4.713 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -11.484 -1.492 0.056 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -10.871 -0.754 -0.087 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -12.366 -1.106 -0.105 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -13.117 -2.546 -4.169 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -12.251 -2.294 -3.821 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -13.620 -1.703 -4.182 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.279 -10.292 -2.805 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -13.651 -10.850 -3.525 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.204 -9.395 -3.211 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -13.472 -6.601 2.450 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.396 -6.892 2.311 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.520 -5.623 2.419 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.350 -7.339 3.903 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -12.112 -7.090 3.321 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -11.515 -8.280 4.125 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -10.507 3.532 2.950 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -10.806 4.446 2.741 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.331 3.064 3.200 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -14.114 -0.792 -0.468 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.169 -1.777 -0.365 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.929 -0.470 -0.071 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -11.236 -2.182 2.881 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -11.181 -1.313 2.431 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -10.977 -1.985 3.807 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -8.610 2.577 4.658 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -8.328 3.074 5.451 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -9.364 3.097 4.301 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -9.971 2.234 11.062 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -9.095 1.961 10.711 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -9.756 2.841 11.775 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -11.076 0.550 2.445 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -11.421 0.889 1.585 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -11.655 0.970 3.113 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -8.524 -0.153 4.509 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -9.306 -0.613 4.890 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -8.634 0.780 4.787 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -12.960 -2.262 6.839 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.903 -1.844 7.724 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -13.179 -3.189 7.031 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -14.237 -3.394 0.119 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -14.221 -4.267 -0.329 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.976 -3.593 1.038 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -13.126 -0.977 9.242 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -12.544 -0.373 9.736 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -13.851 -0.399 8.930 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.369 -3.832 2.714 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -12.609 -3.203 2.763 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -13.859 -3.671 3.530 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -14.340 -6.693 9.828 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -14.581 -6.990 10.730 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -13.704 -7.372 9.517 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -11.521 -8.532 17.337 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -11.750 -9.005 18.171 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.199 -7.848 17.261 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -17.057 -5.673 6.973 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -17.252 -6.134 7.827 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -17.679 -4.936 6.957 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -16.900 -9.145 16.615 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -17.590 -8.737 17.145 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.338 -9.612 17.267 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -10.613 -8.961 14.616 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -11.503 -9.101 14.234 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -10.787 -8.752 15.552 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.216 -9.225 13.809 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.239 -8.700 12.994 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.165 -9.380 14.014 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -15.271 -8.178 11.964 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -15.651 -8.573 12.774 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -15.368 -8.878 11.287 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.352 -7.365 4.912 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -16.175 -8.176 5.417 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -16.597 -6.705 5.594 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -14.501 -10.551 20.757 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -15.300 -10.627 21.325 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -14.861 -10.508 19.841 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.829 -8.041 23.102 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -15.978 -7.100 23.228 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.866 -8.108 22.900 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -6.302 -29.351 1.914 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -6.894 -29.808 2.546 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -6.121 -30.016 1.241 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 4.186 -27.070 2.486 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 3.726 -26.816 3.333 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 3.549 -26.821 1.787 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.486 -26.998 1.533 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -12.256 -27.811 2.029 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -13.395 -27.175 1.193 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -7.162 -26.530 1.027 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -6.799 -27.381 1.330 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -6.446 -25.887 1.198 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -0.580 -30.869 2.981 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -0.094 -30.475 3.733 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -1.518 -30.700 3.190 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -10.452 -33.220 3.473 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -10.503 -32.292 3.758 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -9.565 -33.511 3.767 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 3.224 -29.559 1.910 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 3.006 -30.083 2.700 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 3.656 -28.757 2.266 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -12.257 -29.304 3.158 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -12.609 -30.117 2.731 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -11.465 -29.620 3.651 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -0.159 -25.945 -1.792 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 0.745 -26.209 -2.057 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -0.324 -26.444 -0.974 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -0.402 -26.838 0.875 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -1.360 -26.719 0.975 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -0.108 -27.143 1.769 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -5.769 -23.939 -1.620 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -6.693 -24.233 -1.414 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -5.435 -24.614 -2.222 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 4.913 -27.746 -2.103 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 4.667 -28.587 -1.655 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 4.075 -27.418 -2.465 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -4.003 -33.710 7.766 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -3.896 -34.048 6.843 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -4.949 -33.446 7.814 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -3.068 -34.768 15.732 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -3.089 -35.659 15.363 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -3.733 -34.792 16.462 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 2.937 -29.918 9.624 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 2.612 -29.576 8.765 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 2.434 -30.742 9.751 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -15.080 -37.993 5.687 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -15.820 -37.414 5.435 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -15.087 -37.973 6.667 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 2.117 -36.391 14.840 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 1.421 -36.916 14.415 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 1.844 -36.354 15.781 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -7.618 -40.093 9.141 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -8.187 -40.871 9.028 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -8.214 -39.413 9.508 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -3.845 -33.933 10.485 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -3.934 -33.819 9.515 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -4.760 -33.921 10.811 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -10.275 -40.823 12.228 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -10.825 -40.379 11.554 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -10.629 -40.495 13.077 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -7.239 -32.356 15.272 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -7.650 -31.487 15.327 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -6.434 -32.283 15.855 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -5.701 -36.209 9.568 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -5.635 -37.107 9.966 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -4.838 -36.069 9.154 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -11.137 -32.087 13.987 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -11.285 -32.931 13.504 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -10.500 -31.614 13.436 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 2.886 -31.428 14.315 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 2.559 -32.281 13.962 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 3.666 -31.680 14.865 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -3.992 -37.337 1.999 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -3.149 -36.866 2.199 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -3.747 -37.982 1.331 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -1.387 -32.967 8.387 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -2.311 -33.167 8.115 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -1.212 -33.602 9.111 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -0.925 -34.433 17.581 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -0.217 -33.860 17.198 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -1.643 -34.398 16.918 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -6.739 -34.009 10.829 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -6.521 -34.928 10.561 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.857 -33.536 9.977 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -1.655 -36.047 2.571 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -1.514 -35.104 2.819 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -0.781 -36.439 2.640 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -8.373 -36.016 8.997 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -7.395 -36.008 8.999 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -8.621 -35.349 8.317 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 3.953 -29.921 -0.703 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 3.696 -29.937 0.241 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 4.563 -30.685 -0.796 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.407 -36.230 14.221 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -9.001 -35.685 14.765 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -9.009 -36.674 13.585 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -5.614 -38.777 10.619 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -6.121 -39.102 11.386 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -5.993 -39.271 9.864 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 2.634 -36.072 19.698 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 1.736 -36.298 20.022 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 3.198 -36.163 20.495 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -9.341 -32.986 11.735 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -8.524 -33.459 11.508 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -9.959 -33.690 12.014 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -12.676 -41.682 5.352 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -12.043 -42.006 6.027 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -13.286 -42.412 5.235 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -0.592 -37.444 15.217 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -0.933 -38.306 15.477 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -0.139 -37.111 16.024 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -9.094 -38.129 10.445 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -9.564 -37.749 11.227 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -8.869 -37.336 9.891 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.175 -43.056 7.218 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -10.754 -42.606 7.980 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -10.868 -43.963 7.281 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -6.636 -33.061 8.210 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -6.830 -32.120 8.024 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -7.420 -33.541 7.843 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -1.265 -34.635 10.728 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -2.217 -34.386 10.671 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -1.219 -35.209 11.527 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -3.806 -34.586 5.184 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -3.079 -34.495 4.555 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -4.505 -35.051 4.676 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 1.947 -33.903 13.618 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 2.056 -34.849 13.846 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 1.807 -33.904 12.642 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -2.993 -30.881 4.380 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -3.881 -31.090 4.738 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -2.379 -31.388 4.952 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -2.804 -34.974 19.676 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -3.557 -34.790 19.074 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -2.019 -34.686 19.167 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 7.330 -35.276 15.899 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 6.347 -35.365 15.856 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 7.619 -35.415 14.988 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 1.341 -33.744 10.918 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 0.454 -34.140 10.793 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 1.420 -33.105 10.187 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -12.703 -37.109 2.666 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -11.851 -37.351 2.293 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -12.891 -37.832 3.321 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -0.923 -32.105 5.787 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -0.956 -32.357 6.733 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -0.333 -31.320 5.764 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -6.363 -37.994 14.190 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -6.826 -38.624 13.593 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -6.972 -37.218 14.236 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 4.526 -32.284 6.118 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 4.265 -32.048 7.015 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 3.936 -31.755 5.549 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -5.553 -30.793 5.453 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -5.153 -29.940 5.744 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -6.241 -30.971 6.130 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.653 -30.721 7.207 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -8.025 -29.910 7.579 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -8.447 -31.287 7.021 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -7.933 -33.738 4.539 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.223 -33.840 5.478 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -7.124 -34.270 4.481 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -3.993 -37.616 12.743 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -4.742 -37.690 13.370 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -4.335 -38.008 11.919 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -1.660 -36.101 13.007 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -2.465 -36.639 12.840 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -1.233 -36.540 13.769 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -10.200 -30.572 4.505 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -10.060 -31.053 5.355 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -9.303 -30.526 4.110 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -3.876 -28.557 3.088 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -3.598 -29.349 3.589 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -4.750 -28.798 2.724 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 2.824 -30.956 4.349 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 2.450 -31.750 3.937 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 2.041 -30.518 4.784 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -10.588 -34.846 15.310 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -10.760 -34.809 14.334 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -11.245 -34.220 15.688 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -7.595 -31.096 3.711 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -6.812 -30.927 4.283 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -7.750 -32.060 3.806 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -1.054 -33.568 3.487 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -0.872 -32.789 2.924 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -1.006 -33.212 4.400 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -9.867 -33.408 19.559 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -9.632 -33.588 18.624 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -9.947 -32.433 19.603 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -5.683 -35.892 3.604 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -6.491 -36.402 3.505 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -5.039 -36.348 3.014 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -8.701 -33.872 17.035 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -8.099 -33.418 16.405 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -9.388 -34.265 16.463 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -4.787 -34.512 17.822 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -4.874 -33.573 17.500 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -5.621 -34.670 18.316 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -5.625 -33.061 13.167 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -6.089 -33.427 12.385 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -6.333 -32.959 13.839 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 0.917 -36.470 17.335 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 1.573 -36.466 18.056 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 0.287 -35.755 17.580 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 1.215 -33.389 16.283 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 1.465 -33.478 15.343 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 2.031 -33.622 16.772 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -7.181 -34.679 19.148 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -7.623 -34.057 19.743 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -7.710 -34.631 18.323 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -2.228 -26.417 3.056 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -2.872 -27.160 3.130 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -1.390 -26.794 3.389 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -12.851 -34.251 2.747 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -12.763 -35.228 2.759 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.954 -33.927 3.007 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 6.857 -30.514 3.292 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 7.747 -30.473 3.704 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 6.553 -31.435 3.473 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 4.948 -32.472 15.668 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 4.870 -33.439 15.572 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 5.866 -32.336 15.984 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 3.349 -34.231 17.826 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 3.486 -33.378 18.290 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 3.161 -34.870 18.551 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -7.077 -38.847 16.771 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -6.809 -38.567 15.871 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -6.263 -38.813 17.281 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -9.996 -41.846 9.437 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -9.888 -42.026 10.385 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -10.592 -41.065 9.411 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -10.355 -37.423 12.722 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -10.751 -38.099 13.314 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -11.122 -36.854 12.457 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -0.523 -32.913 24.454 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -1.494 -32.939 24.268 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -0.410 -33.531 25.216 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -1.059 -33.876 29.150 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -1.902 -34.379 29.114 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -1.338 -32.939 29.053 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -7.799 -33.999 35.718 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -8.350 -33.185 35.709 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -8.287 -34.608 36.309 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 1.077 -31.228 26.149 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 0.543 -31.671 25.458 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 0.467 -31.133 26.894 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -5.963 -33.960 28.120 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -5.658 -33.874 27.186 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -6.299 -33.070 28.347 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -3.517 -35.081 28.946 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -4.365 -34.625 28.754 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -3.471 -35.790 28.266 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -6.004 -28.304 33.072 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -6.782 -27.840 32.703 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -5.907 -29.092 32.500 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -7.920 -31.323 33.158 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -7.530 -32.104 33.572 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -7.231 -31.018 32.525 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -9.538 -30.312 23.819 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -9.607 -29.978 24.743 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -8.958 -29.658 23.384 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 0.634 -30.681 29.624 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 0.740 -31.343 30.326 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -0.310 -30.761 29.364 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 3.680 -30.716 26.836 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 4.054 -31.602 26.740 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 2.712 -30.848 26.675 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 0.290 -36.648 20.910 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 0.601 -37.115 21.709 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 0.142 -35.725 21.218 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 2.264 -32.341 21.618 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 2.635 -32.261 20.710 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 2.707 -31.625 22.120 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -3.415 -32.207 27.090 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -3.732 -33.095 26.857 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -3.521 -31.693 26.253 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -3.281 -34.830 31.672 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -3.408 -34.908 30.700 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -2.848 -35.652 31.920 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -3.845 -32.471 36.350 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -4.416 -33.111 35.877 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -3.024 -32.980 36.544 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 0.387 -34.270 22.287 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -0.071 -33.740 22.974 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 0.990 -33.630 21.855 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -5.333 -34.004 34.635 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -5.290 -34.866 34.206 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -6.226 -33.993 35.064 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -4.294 -36.634 24.279 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -4.344 -36.050 23.490 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -3.802 -37.418 23.961 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 0.792 -29.749 22.130 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 1.610 -29.905 22.645 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 0.586 -30.613 21.749 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -6.157 -30.417 31.249 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -6.506 -30.831 30.430 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -5.179 -30.495 31.159 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -7.322 -31.664 29.086 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -8.099 -32.183 29.317 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -7.693 -30.889 28.581 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -1.664 -29.196 32.713 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -0.773 -29.519 32.525 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -1.527 -28.504 33.411 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -9.673 -35.168 37.393 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -10.263 -34.406 37.365 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -10.093 -35.774 38.010 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 3.458 -31.705 19.162 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 4.296 -31.266 19.428 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 3.051 -31.078 18.538 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -3.783 -36.981 26.947 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -4.014 -36.903 25.996 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -4.651 -37.110 27.392 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 3.088 -33.896 23.859 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 2.292 -33.986 24.395 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 2.789 -33.419 23.063 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.215 -34.621 26.499 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -0.436 -34.480 27.438 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -0.646 -35.469 26.272 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -1.390 -36.971 25.417 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -2.113 -37.033 26.071 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -1.711 -37.502 24.658 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -2.530 -38.521 23.329 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -2.454 -39.462 23.141 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -2.486 -38.094 22.440 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -3.488 -30.696 31.391 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -3.464 -31.444 32.029 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -2.903 -30.018 31.800 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 3.308 -36.309 22.394 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 2.572 -36.699 22.899 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 3.565 -35.528 22.917 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -4.786 -34.197 25.680 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -4.782 -35.097 25.304 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -4.282 -33.662 25.017 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -0.644 -32.978 33.905 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -1.584 -32.808 33.693 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -0.188 -32.887 33.046 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 5.341 -28.848 22.469 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 6.144 -28.291 22.533 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 5.469 -29.356 21.636 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -1.965 -31.297 29.159 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -2.592 -31.017 29.859 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -2.545 -31.496 28.383 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -6.953 -35.325 21.843 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -6.916 -35.420 20.875 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -6.019 -35.205 22.105 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 0.419 -33.017 31.306 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -0.154 -33.356 30.581 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.161 -33.629 31.325 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 1.179 -26.759 36.690 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 1.357 -26.509 37.619 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 0.587 -27.519 36.757 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 3.201 -30.350 23.300 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 3.366 -30.577 24.227 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 4.019 -29.881 23.017 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -4.208 -34.974 22.124 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -3.808 -34.268 22.695 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -3.689 -34.931 21.296 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 0.794 -36.659 23.651 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 0.585 -35.766 23.312 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 0.172 -36.784 24.394 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 3.269 -27.948 27.173 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 3.440 -28.908 27.119 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 3.505 -27.613 26.281 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -8.171 -27.962 24.015 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -8.610 -28.181 24.856 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -7.537 -27.238 24.258 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -8.745 -29.502 37.092 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -8.020 -29.060 36.601 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -9.529 -28.929 36.933 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -2.315 -37.424 20.853 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -2.702 -36.626 20.437 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -1.351 -37.304 20.735 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 5.715 -30.247 20.033 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 5.959 -29.530 19.413 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 6.560 -30.740 20.173 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -3.313 -32.668 33.243 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -3.280 -33.430 32.616 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -4.028 -32.908 33.867 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 6.364 -26.644 26.545 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 5.862 -27.259 25.989 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 7.109 -27.182 26.886 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 8.209 -31.301 20.331 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 8.930 -31.240 20.982 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 8.600 -31.799 19.587 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -1.414 -33.654 36.454 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -1.036 -33.440 35.572 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -0.646 -33.795 37.012 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -6.322 -36.695 27.917 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -6.329 -35.725 28.061 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -7.217 -36.899 27.633 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -9.313 -31.762 35.617 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -9.091 -31.382 34.750 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.178 -31.022 36.246 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -4.023 -26.649 34.442 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -4.530 -25.832 34.264 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -4.561 -27.354 34.041 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -1.675 -27.178 28.790 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -1.654 -26.400 28.196 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -0.776 -27.571 28.702 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 0.876 -28.112 28.611 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.930 -28.998 29.030 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 1.697 -28.043 28.088 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -4.664 -29.953 36.945 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -4.595 -30.930 36.843 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -3.817 -29.622 36.575 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -6.582 -28.424 35.754 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -5.917 -29.034 36.152 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -6.355 -28.413 34.799 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -12.142 -29.061 43.000 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -12.542 -29.744 43.542 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -12.138 -29.442 42.093 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -2.381 -30.180 35.488 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -2.210 -30.180 34.537 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -2.677 -31.087 35.679 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -6.406 -26.670 37.831 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -6.141 -27.395 38.451 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -6.451 -27.115 36.956 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -10.610 -27.142 41.836 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -11.184 -27.703 42.410 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -9.911 -27.746 41.540 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -5.852 -28.930 39.184 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.260 -29.632 39.701 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -5.398 -29.401 38.450 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -1.371 -18.529 -6.087 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -1.976 -18.720 -5.338 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -0.926 -19.388 -6.261 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -7.495 -13.445 -2.794 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -7.618 -12.831 -3.556 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -7.444 -14.329 -3.209 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -14.757 -18.593 -7.372 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -14.559 -18.812 -8.287 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -15.311 -19.321 -7.066 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -3.604 -12.266 -5.228 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -3.939 -13.084 -5.639 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -4.099 -11.548 -5.684 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -2.264 -16.134 -7.302 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -2.170 -16.994 -6.840 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -1.376 -15.742 -7.246 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 2.726 -21.522 -5.660 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 3.270 -22.270 -5.325 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 3.350 -20.995 -6.206 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 0.184 -20.870 -6.424 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 0.088 -21.499 -7.148 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 1.119 -20.984 -6.129 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -8.748 -20.309 -5.945 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -8.250 -19.472 -5.813 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -9.695 -20.032 -5.877 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -10.727 -15.515 -7.564 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -11.179 -15.785 -8.368 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -11.413 -15.563 -6.874 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 4.181 -23.505 -4.286 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 4.091 -23.636 -3.322 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 5.102 -23.781 -4.473 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -5.600 -21.538 -2.874 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -5.620 -22.367 -2.340 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -4.655 -21.445 -3.127 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -6.424 -21.894 -5.539 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -7.191 -21.308 -5.693 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -6.205 -21.760 -4.597 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 1.058 -14.096 -4.898 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 0.745 -14.882 -5.398 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 1.949 -13.923 -5.263 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 1.525 -24.402 -4.375 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 1.616 -25.183 -3.808 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 2.442 -24.100 -4.512 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 4.331 -14.401 -3.567 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 4.043 -14.340 -4.497 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 4.242 -15.348 -3.349 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 3.452 -19.787 -3.591 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 3.102 -20.385 -4.276 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 4.336 -20.168 -3.367 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -5.921 -16.693 -7.671 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -5.402 -16.898 -8.472 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -5.726 -17.440 -7.066 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -4.640 -14.532 -6.578 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -5.232 -15.214 -6.967 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -3.741 -14.868 -6.768 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -3.753 -17.299 -9.286 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -3.233 -16.840 -8.586 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -3.431 -16.915 -10.109 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -0.585 -15.249 -2.918 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 0.047 -14.779 -3.498 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -0.643 -16.131 -3.298 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -6.809 -15.407 -4.623 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -7.361 -15.180 -5.406 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -5.914 -15.138 -4.880 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -7.419 -18.040 -5.311 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -6.515 -18.366 -5.519 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -7.277 -17.128 -4.994 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -3.135 -18.929 -4.000 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -3.163 -18.547 -3.108 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -3.040 -19.897 -3.842 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 2.534 -26.180 -2.098 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 2.540 -26.661 -1.238 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 3.136 -25.418 -1.946 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -4.068 -19.921 -8.472 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -3.889 -19.004 -8.778 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -4.473 -20.349 -9.235 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -4.958 -18.766 -6.089 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -4.303 -18.841 -5.361 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -4.605 -19.348 -6.791 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 3.042 -17.169 -5.562 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 3.377 -17.141 -4.640 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 3.722 -16.690 -6.079 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.106 -15.072 -6.980 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -7.619 -15.819 -7.386 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -9.052 -15.251 -7.205 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 4.142 -17.226 -2.996 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 3.846 -18.155 -3.149 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 4.475 -17.234 -2.078 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 0.412 -16.458 -6.104 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -0.113 -17.286 -6.072 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 1.343 -16.761 -6.020 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -0.030 -13.610 -0.284 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 0.248 -13.437 -1.203 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -0.123 -14.587 -0.239 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -9.105 -11.558 -1.609 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.531 -12.265 -1.964 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -10.014 -11.839 -1.865 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 2.293 -27.314 0.377 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 2.552 -28.236 0.571 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 1.333 -27.293 0.556 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.179 -23.232 -1.686 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -0.011 -22.755 -2.519 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.012 -24.172 -1.902 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 3.475 -17.676 -8.899 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 2.903 -17.963 -9.616 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 3.547 -18.460 -8.320 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 4.670 -11.711 -3.087 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 3.899 -11.523 -2.533 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 4.650 -12.688 -3.205 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -1.053 -10.838 -0.287 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -0.557 -11.669 -0.142 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -0.458 -10.300 -0.842 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -3.777 -21.778 -6.386 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -3.763 -21.228 -7.189 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -4.727 -21.980 -6.249 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -2.976 -21.636 -3.811 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -3.209 -21.816 -4.753 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -2.079 -22.025 -3.711 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.095 -24.020 0.862 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 0.225 -23.745 -0.078 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 0.186 -24.991 0.841 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -2.565 -24.327 1.399 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -2.479 -25.021 2.096 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -1.642 -24.084 1.192 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -5.255 -24.380 1.063 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -5.424 -24.154 0.124 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -4.271 -24.449 1.119 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 5.190 -9.440 -4.528 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 5.042 -10.275 -4.024 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 5.943 -9.636 -5.092 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -0.090 -16.398 -0.007 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -0.219 -16.906 -0.825 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 0.805 -16.660 0.302 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 3.585 -14.003 -6.235 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 3.835 -13.216 -6.732 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 4.080 -14.733 -6.676 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 4.973 -16.109 -7.278 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 5.738 -16.710 -7.172 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.472 -16.495 -8.034 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -12.312 -14.984 -5.297 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -11.505 -14.452 -5.281 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -12.722 -14.821 -4.420 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 4.053 -19.443 -6.818 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 4.995 -19.162 -6.842 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 3.619 -18.776 -6.246 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -0.383 -22.437 -4.236 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 0.224 -23.191 -4.429 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -0.272 -21.841 -5.000 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 8.347 -27.767 3.584 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 8.703 -28.649 3.814 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 9.133 -27.277 3.242 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -9.672 -22.723 -6.901 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -8.892 -23.288 -6.862 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -9.336 -21.835 -6.649 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -11.304 -19.504 -5.691 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -11.898 -18.741 -5.539 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -11.906 -20.276 -5.695 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 5.968 -24.474 3.252 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 5.293 -24.641 3.961 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.995 -25.302 2.756 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -8.228 -24.738 -0.959 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -8.189 -25.423 -0.261 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -9.053 -24.249 -0.775 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 6.538 -25.936 -0.944 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 6.684 -26.335 -0.052 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 6.069 -26.647 -1.448 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -8.108 -7.629 -3.530 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -7.425 -8.228 -3.917 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -8.638 -7.346 -4.297 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -6.437 -9.556 -4.455 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.718 -9.614 -5.109 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -6.892 -10.416 -4.523 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -1.454 -10.713 -4.574 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.167 -11.327 -4.867 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -1.175 -10.261 -5.393 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 0.164 -12.316 -2.941 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -0.352 -11.655 -3.444 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 0.587 -12.864 -3.631 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 0.259 -8.729 -1.737 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 0.203 -8.091 -0.993 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -0.373 -8.381 -2.398 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -7.382 -9.931 -7.533 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -7.253 -10.887 -7.701 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -8.202 -9.892 -7.005 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -6.791 -12.717 -7.220 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -7.380 -13.506 -7.286 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -5.896 -13.098 -7.157 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -4.753 -10.210 -6.570 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.559 -10.005 -7.085 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -4.018 -9.847 -7.117 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -12.223 -24.518 0.178 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -13.165 -24.474 -0.080 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -12.113 -25.425 0.524 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.933 -21.781 0.826 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -7.754 -22.425 1.542 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -8.552 -22.252 0.233 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 0.305 -27.528 3.399 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 1.069 -27.031 3.792 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 0.294 -28.367 3.894 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 2.799 -9.753 -1.461 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 1.867 -9.505 -1.648 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 3.323 -9.038 -1.879 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 2.064 -13.458 1.734 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 2.161 -12.491 1.576 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 1.281 -13.701 1.206 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -11.484 -9.895 4.991 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -12.341 -9.948 5.462 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -10.851 -9.603 5.682 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 2.597 -13.108 4.913 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 2.498 -13.462 4.017 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 2.941 -13.874 5.439 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -9.006 -6.891 5.176 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -9.174 -7.576 5.864 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -9.798 -6.950 4.590 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 4.930 -9.887 0.309 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 5.152 -10.799 0.596 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 4.198 -10.011 -0.331 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -7.561 -10.771 18.883 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -8.283 -11.193 19.394 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -7.515 -9.862 19.242 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 1.907 -10.860 0.943 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 1.490 -10.084 1.332 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 2.232 -10.549 0.076 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 2.387 -17.243 0.907 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 3.055 -17.541 0.264 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 2.859 -16.568 1.442 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -12.832 -8.904 9.032 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -12.928 -9.192 8.096 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -11.873 -8.977 9.207 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 6.245 -10.535 8.841 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 5.911 -9.791 8.313 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 5.443 -11.064 9.048 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 6.898 -9.693 14.072 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 7.021 -10.010 13.151 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 7.210 -10.424 14.615 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 6.172 -24.473 6.781 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 6.693 -23.935 6.175 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 5.355 -24.695 6.262 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 2.654 -10.736 8.003 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 3.149 -10.783 7.159 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 3.109 -11.375 8.584 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -8.168 -8.860 13.381 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.081 -8.986 13.731 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -7.600 -8.894 14.180 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -6.623 -12.866 17.487 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -6.873 -12.050 17.988 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -6.652 -13.565 18.151 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -5.009 -10.494 10.473 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -5.867 -10.059 10.314 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -4.378 -9.991 9.917 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 3.601 -10.656 5.412 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 3.171 -11.533 5.260 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 4.444 -10.718 4.913 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -8.470 -13.288 28.538 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -8.439 -12.585 29.201 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -8.771 -12.836 27.722 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.560 -8.598 26.815 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.449 -8.753 26.445 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.599 -9.014 27.700 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -6.297 -9.272 26.732 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -6.469 -8.509 27.319 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -5.875 -9.929 27.319 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -7.940 -12.802 32.027 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -8.763 -12.842 32.554 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -7.521 -13.676 32.177 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 0.347 -10.576 28.173 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -0.153 -11.319 28.572 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 1.276 -10.870 28.215 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 2.206 -12.408 31.926 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 2.700 -12.085 32.686 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 1.433 -11.794 31.861 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -8.242 -9.976 24.960 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -8.790 -10.501 25.567 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -7.522 -9.628 25.530 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.395 -12.795 29.732 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -0.856 -13.434 30.316 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 0.231 -13.349 29.222 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -5.985 -14.295 29.620 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -6.786 -14.150 29.077 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -5.740 -13.398 29.925 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -11.153 -16.582 30.978 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -11.002 -15.951 30.238 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -11.722 -17.269 30.592 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -12.214 -15.090 32.989 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -11.909 -15.671 32.262 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -11.469 -14.479 33.132 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.759 -15.306 32.150 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -7.508 -15.950 32.168 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -6.510 -15.253 31.207 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.836 -10.054 28.952 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -5.330 -9.268 29.256 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.024 -10.735 29.635 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 2.368 -23.047 35.087 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 2.689 -22.124 34.993 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 2.581 -23.280 36.011 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -8.939 -16.863 32.553 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -9.296 -16.626 33.427 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -9.727 -16.877 31.967 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -11.422 -18.734 34.756 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -10.520 -18.902 35.086 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -11.792 -18.092 35.397 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -11.785 -19.469 31.917 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -11.919 -20.346 32.328 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -11.481 -18.909 32.651 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.494 -15.604 29.860 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -4.314 -15.093 29.708 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -3.803 -16.494 30.052 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 2.818 -17.243 31.523 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 2.679 -17.255 30.560 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 2.453 -16.372 31.804 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -9.840 -11.928 26.406 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -10.036 -11.944 25.446 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -10.677 -12.214 26.822 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -5.349 -10.585 22.461 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -5.347 -11.009 23.328 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -4.581 -9.999 22.478 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 3.745 -9.873 21.997 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 3.892 -9.286 22.764 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 4.070 -10.752 22.306 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -9.233 -15.802 35.171 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -9.649 -16.030 36.027 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -8.341 -16.171 35.237 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -2.985 -11.745 20.928 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -2.951 -12.450 20.249 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -3.916 -11.724 21.201 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 0.146 -25.263 31.879 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -0.598 -25.891 31.734 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 0.382 -25.389 32.828 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -0.127 -8.451 29.812 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 0.598 -7.829 29.681 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 0.046 -9.163 29.158 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -12.318 -13.052 27.295 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -12.876 -13.821 27.026 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -12.944 -12.321 27.365 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -2.386 -16.025 33.580 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -3.342 -15.915 33.784 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -2.108 -16.765 34.149 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -13.950 -15.791 34.949 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -13.320 -15.490 34.253 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -14.804 -15.848 34.486 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -6.588 -18.506 34.526 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -6.598 -18.666 33.573 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -5.694 -18.815 34.814 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 1.353 -15.050 32.124 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 1.715 -14.141 32.088 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 0.422 -14.947 31.831 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -4.059 -19.092 35.373 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -3.170 -18.755 35.131 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -3.924 -19.526 36.220 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 1.080 -19.231 35.877 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 1.167 -18.536 35.200 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.861 -19.798 35.735 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 3.721 -19.672 32.323 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 3.427 -18.779 32.040 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 4.558 -19.814 31.833 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 0.838 -25.222 34.494 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 1.346 -24.395 34.664 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 1.063 -25.802 35.259 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -3.074 -6.748 24.823 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -3.272 -5.818 25.072 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -3.218 -7.254 25.652 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 1.407 -14.270 28.171 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 1.038 -14.244 27.259 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 1.585 -15.213 28.329 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.140 -10.736 31.504 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -0.279 -11.397 30.915 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -0.057 -9.882 31.083 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 6.007 -20.326 30.927 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 6.674 -20.671 31.559 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 6.542 -19.875 30.232 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 7.290 -21.243 33.111 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 7.335 -21.959 33.772 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 6.809 -20.531 33.573 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 2.999 -23.767 37.757 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 2.769 -23.070 38.381 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 2.594 -24.575 38.141 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 4.314 -8.512 24.348 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 5.222 -8.196 24.202 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 4.428 -9.275 24.954 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -10.025 -13.559 33.828 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -9.687 -14.352 34.307 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -10.547 -13.089 34.487 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -2.056 -26.699 31.385 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -2.017 -26.935 30.427 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -2.097 -27.559 31.840 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -1.303 -14.911 31.331 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -2.035 -15.111 30.704 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -1.650 -15.220 32.204 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -5.652 -11.812 30.912 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -5.063 -11.920 31.670 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -6.550 -11.981 31.281 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -10.748 -12.440 23.809 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -10.619 -13.373 24.010 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -11.629 -12.410 23.361 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 4.738 -12.249 22.894 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 5.648 -12.504 22.637 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 4.216 -13.072 22.779 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.293 -27.120 34.334 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -2.227 -26.869 34.518 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -0.778 -26.340 34.591 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -9.363 -18.994 41.954 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -9.057 -18.296 41.335 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -8.541 -19.414 42.270 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -10.228 -19.810 46.694 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -10.590 -19.546 45.814 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -10.562 -19.139 47.296 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -1.388 -18.244 34.975 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -0.708 -18.016 34.310 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -0.880 -18.677 35.685 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 1.018 -17.455 33.690 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 1.749 -17.721 33.105 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 0.929 -16.498 33.535 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -6.946 -21.362 40.544 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -7.379 -22.239 40.463 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -7.067 -21.123 41.486 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 3.401 -20.506 34.907 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 3.441 -20.187 33.977 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 4.313 -20.367 35.243 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -1.615 -22.511 39.514 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -2.574 -22.360 39.682 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -1.335 -21.728 39.032 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -7.417 -20.645 43.235 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -6.607 -20.438 43.716 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -8.002 -21.049 43.915 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -14.869 -23.775 45.046 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -15.084 -23.535 45.954 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -15.241 -24.656 44.938 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -10.997 -19.410 44.134 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -10.488 -19.051 43.377 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -11.423 -20.201 43.777 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -8.694 -26.381 39.252 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -7.930 -26.428 38.635 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -9.398 -25.945 38.734 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -10.936 -22.254 43.436 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -10.283 -22.059 44.142 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -10.622 -23.104 43.048 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -0.664 -24.978 40.145 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -0.944 -24.072 39.869 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.391 -25.291 40.691 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -11.248 -19.725 38.596 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -11.795 -18.957 38.869 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -11.201 -20.280 39.408 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -10.006 -16.835 37.660 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -10.982 -16.893 37.564 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -9.676 -17.651 37.227 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -8.141 -23.895 40.368 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -8.849 -23.839 41.043 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -8.125 -24.844 40.125 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -8.800 -18.794 36.156 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -8.351 -19.132 36.963 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -8.078 -18.731 35.492 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -5.065 -16.100 34.150 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -5.641 -15.711 33.459 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -5.555 -16.877 34.460 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.768 -19.423 38.685 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.387 -20.046 39.339 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.985 -18.627 39.211 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.306 -22.174 39.696 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.568 -22.992 39.228 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -5.150 -21.784 39.987 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 1.741 -25.803 39.244 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 0.844 -25.514 39.551 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 2.158 -26.154 40.037 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -10.921 -21.004 40.952 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -10.993 -21.552 41.753 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -10.427 -20.211 41.251 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.303 -24.438 41.987 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -11.042 -24.214 41.382 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.325 -25.423 42.035 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -7.338 -23.334 37.759 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -6.410 -23.645 37.754 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -7.655 -23.550 38.661 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -8.920 -21.758 45.325 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -9.329 -21.040 45.870 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -8.697 -22.441 45.968 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -4.870 -24.463 38.233 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -4.068 -24.665 37.736 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -5.394 -25.297 38.192 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.174 2.128 -12.353 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.996 2.349 -11.868 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -0.922 2.951 -12.781 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -2.364 2.942 -4.958 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -2.306 3.900 -5.165 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -3.182 2.647 -5.420 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -6.996 -2.660 -6.548 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -6.733 -2.904 -7.459 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -7.643 -1.940 -6.670 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -2.413 5.567 -5.775 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -3.036 6.276 -5.589 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -1.680 6.005 -6.219 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -10.374 -3.027 -8.590 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -9.650 -2.531 -9.025 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -10.223 -3.955 -8.860 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -5.067 0.625 -8.625 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -5.936 1.078 -8.716 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -4.940 0.180 -9.473 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 0.534 -6.277 -7.190 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 0.400 -5.524 -7.796 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 0.620 -5.864 -6.311 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -6.070 -3.285 -9.029 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -5.824 -4.226 -8.873 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -5.613 -3.053 -9.864 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -0.420 -1.450 -9.356 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -0.481 -0.656 -8.808 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -0.429 -1.110 -10.276 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -9.862 -5.763 -8.946 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -10.085 -6.352 -9.676 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -9.023 -6.133 -8.586 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 4.116 -0.269 -2.803 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 4.783 0.227 -3.332 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 3.475 -0.570 -3.459 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -4.422 1.793 -6.237 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -4.769 1.423 -7.075 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -5.199 1.793 -5.633 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 0.082 -4.018 -8.792 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -0.114 -3.065 -8.997 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 0.569 -4.327 -9.568 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -5.859 -4.508 -4.855 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -6.291 -4.130 -4.066 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -6.256 -4.010 -5.597 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -10.139 1.170 -2.937 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -11.076 1.016 -2.691 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -10.038 0.696 -3.793 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 1.928 -7.637 -4.629 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 1.572 -8.467 -4.278 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 2.125 -7.836 -5.555 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -1.706 -8.092 -3.672 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -1.824 -9.051 -3.837 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -2.608 -7.718 -3.763 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 3.871 3.085 -2.319 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 3.504 3.593 -3.050 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 4.399 2.400 -2.748 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 0.174 -0.606 -4.912 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -0.384 -0.068 -5.511 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 0.179 -1.492 -5.326 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -7.420 2.001 -8.637 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -7.825 1.864 -9.527 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -7.681 2.921 -8.395 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -3.532 2.396 -10.931 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -3.511 2.438 -9.963 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -4.312 2.912 -11.174 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -6.041 2.739 -1.692 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -5.179 3.112 -1.404 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -6.662 3.486 -1.599 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.742 4.978 -1.386 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.114 5.631 -1.721 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -8.494 5.521 -1.048 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -10.084 -0.297 -5.280 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -10.843 -0.603 -5.810 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -9.344 -0.277 -5.919 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.400 2.811 -0.819 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.538 2.292 -1.648 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -8.822 3.552 -1.095 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -4.064 -6.429 -4.038 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -4.334 -6.418 -3.098 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -4.760 -5.897 -4.490 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -8.407 1.330 -11.054 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -9.271 1.374 -11.476 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -7.969 0.566 -11.482 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -3.332 -0.361 -11.359 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -3.380 0.615 -11.338 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -2.393 -0.548 -11.568 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -0.604 -0.475 -11.977 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -0.693 0.499 -12.130 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -0.059 -0.780 -12.712 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -7.647 -7.017 -7.863 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -7.388 -7.959 -7.795 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -6.795 -6.537 -7.916 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -7.373 -0.966 -12.143 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -6.541 -1.449 -11.940 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -7.514 -1.126 -13.085 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -0.675 -8.524 -6.269 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -0.224 -7.767 -6.713 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -0.916 -8.174 -5.390 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -5.098 -5.813 -8.487 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -4.270 -5.303 -8.327 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -4.790 -6.715 -8.635 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -1.167 1.394 -0.018 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -0.510 1.867 0.535 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -0.669 1.135 -0.818 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.201 -1.728 -9.604 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.431 -2.316 -9.441 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -8.073 -1.416 -10.521 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 7.193 -2.236 1.098 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 6.471 -2.053 0.458 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 7.977 -1.878 0.675 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 5.773 1.042 -4.512 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 6.510 1.643 -4.666 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 5.950 0.285 -5.119 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -8.328 4.519 -8.086 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -8.985 4.661 -7.395 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -8.296 5.355 -8.560 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -2.557 1.060 -2.946 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -1.619 0.899 -2.716 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -2.519 1.775 -3.616 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -5.103 -2.371 -11.475 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -4.633 -3.037 -11.991 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -4.452 -1.629 -11.391 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -0.111 -3.049 -6.150 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 0.121 -3.336 -7.053 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 0.203 -3.778 -5.577 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 0.515 -5.297 -4.605 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 1.104 -6.077 -4.470 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 0.177 -5.097 -3.700 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -1.660 0.772 -6.523 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -2.600 0.810 -6.754 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -1.522 1.569 -5.975 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -9.601 -7.244 -5.840 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -10.198 -6.472 -5.907 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -8.898 -7.058 -6.494 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -5.320 9.282 2.746 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -5.703 10.158 2.838 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -6.053 8.673 2.986 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 1.931 6.834 2.149 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 2.437 7.213 1.419 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 2.025 7.478 2.864 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -4.093 -0.408 -1.287 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.092 0.234 -0.539 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -3.548 0.043 -1.979 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -3.546 -2.185 0.976 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -3.656 -1.929 1.919 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -3.536 -1.338 0.499 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 2.742 2.853 0.180 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 3.167 3.354 0.912 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 3.247 3.118 -0.622 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -8.195 -0.258 -7.292 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -7.970 0.650 -7.590 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -8.404 -0.734 -8.124 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 2.276 0.334 -0.766 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 3.048 0.156 -1.336 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 2.445 1.235 -0.409 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 5.229 -1.799 -0.746 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 4.914 -1.270 -1.510 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 4.793 -2.656 -0.853 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 6.476 -1.088 -6.111 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 7.053 -1.837 -5.923 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 6.279 -1.168 -7.051 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 0.006 0.331 -2.312 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 0.190 0.000 -3.221 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 0.877 0.303 -1.863 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 5.414 -5.971 4.808 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 5.854 -5.932 3.945 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 4.871 -5.157 4.834 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -11.022 -4.972 -6.558 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -10.960 -4.012 -6.697 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -10.810 -5.351 -7.436 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -13.915 -3.075 -6.736 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -14.557 -3.785 -6.801 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -13.706 -3.025 -5.782 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 5.585 -7.307 -0.462 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 5.092 -7.228 -1.305 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 5.539 -8.262 -0.250 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -13.318 -7.965 -4.227 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -14.026 -7.970 -4.876 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -13.018 -7.028 -4.207 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -11.547 6.083 2.669 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -12.097 6.455 3.365 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -11.595 6.740 1.949 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 4.097 -7.682 -2.782 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.365 -7.366 -3.340 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 4.645 -8.224 -3.396 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.127 -5.252 -5.598 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -2.835 -5.701 -5.082 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -1.307 -5.485 -5.127 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -2.680 -4.554 -8.149 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -2.478 -4.883 -7.243 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -1.805 -4.402 -8.547 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -2.588 -9.339 -8.044 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -2.118 -9.561 -8.853 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -1.884 -9.033 -7.433 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -3.612 -1.470 3.663 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -4.494 -1.481 4.097 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -2.987 -1.287 4.402 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -4.543 2.549 11.463 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -4.207 3.270 12.009 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -4.001 1.780 11.727 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -13.497 0.531 6.007 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -13.344 -0.419 6.149 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -13.883 0.841 6.850 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -12.544 1.513 10.502 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -11.593 1.780 10.542 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -12.858 1.634 11.404 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 6.125 -4.303 13.960 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 6.763 -4.079 13.272 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 6.627 -4.881 14.573 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -6.657 -6.202 6.456 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -7.508 -6.488 6.084 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -6.910 -5.692 7.258 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 1.689 -5.249 6.457 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 1.201 -5.147 7.300 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 2.151 -6.094 6.555 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -10.600 -1.662 5.467 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -10.113 -2.502 5.610 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -11.405 -1.756 6.019 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -6.021 -1.235 5.056 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -6.931 -0.907 4.891 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -5.673 -0.625 5.749 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 2.436 -3.009 13.555 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 2.560 -3.850 13.083 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 1.489 -2.790 13.414 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -7.437 -4.678 11.325 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -7.946 -5.177 12.011 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -7.312 -3.806 11.714 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -3.121 2.298 7.310 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -2.538 3.084 7.212 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -2.496 1.562 7.503 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 0.349 -5.197 8.880 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 0.015 -4.505 9.458 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 1.042 -5.647 9.416 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 5.042 -7.661 14.348 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 5.103 -7.553 15.304 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 5.639 -8.416 14.153 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -6.749 -8.962 15.752 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -7.542 -8.722 16.292 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -6.008 -8.817 16.350 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -0.587 -5.099 4.864 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 0.146 -5.611 5.252 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -0.337 -4.173 5.027 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -1.499 -1.151 5.403 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -1.483 -0.579 6.195 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -0.695 -1.707 5.495 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -0.488 0.672 14.294 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 0.278 1.218 14.002 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -0.350 0.556 15.247 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -5.346 0.829 6.669 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -5.845 1.171 7.419 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -4.484 1.295 6.724 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -7.269 2.096 10.450 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -6.573 2.224 11.116 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -6.813 2.241 9.605 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -1.482 4.483 7.183 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -0.862 4.537 6.429 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -1.961 5.334 7.154 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 2.870 -8.188 4.379 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.603 -8.098 3.730 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 2.974 -9.098 4.729 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -4.895 7.362 5.616 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -5.757 6.987 5.888 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -5.109 7.920 4.857 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -0.131 -1.901 13.364 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -0.114 -0.952 13.596 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -0.654 -2.311 14.093 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -3.694 -7.801 11.486 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -4.479 -7.369 11.088 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -3.256 -8.238 10.726 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -3.651 -8.131 14.170 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -4.571 -7.920 14.357 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -3.571 -8.011 13.191 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 4.324 -2.962 15.520 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 3.563 -2.989 14.902 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 5.056 -3.371 15.011 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -7.245 -3.355 3.881 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -6.668 -2.663 4.268 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -8.008 -3.396 4.492 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 0.181 -8.115 4.871 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 1.134 -8.052 4.650 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 0.129 -8.880 5.475 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -1.937 -0.772 19.994 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -1.716 -1.456 20.664 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -2.840 -0.518 20.204 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -0.777 -0.256 10.821 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -0.383 -0.989 11.322 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -1.585 -0.032 11.326 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -12.569 -3.699 9.403 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -12.816 -2.757 9.516 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -13.245 -4.183 9.892 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -2.959 -9.051 9.133 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -2.767 -9.866 8.615 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -2.370 -8.374 8.729 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -9.293 -4.059 5.655 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -9.584 -4.123 6.591 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -9.214 -4.985 5.372 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -10.516 -4.838 7.983 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -11.029 -5.553 7.547 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -11.176 -4.390 8.562 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 0.726 2.059 10.581 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 1.121 2.125 11.466 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 0.190 1.242 10.621 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -1.127 0.477 7.914 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -0.399 1.124 7.797 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -0.996 0.133 8.818 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -7.035 -5.990 3.406 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -6.984 -5.024 3.597 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -7.667 -6.331 4.065 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -7.607 3.782 7.143 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -8.218 3.673 7.883 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -6.729 3.566 7.524 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 0.549 2.592 1.724 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 0.235 3.478 2.009 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 1.328 2.786 1.154 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 4.016 -3.621 4.525 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 4.902 -3.345 4.186 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.513 -2.784 4.577 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -2.276 6.956 6.251 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -2.102 7.760 6.752 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -3.224 7.039 5.985 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -2.919 8.948 1.473 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -2.644 9.851 1.290 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -3.787 9.048 1.929 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 3.011 4.273 2.568 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 2.863 3.983 3.485 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 2.622 5.164 2.533 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -8.713 -6.070 13.257 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -9.505 -6.024 13.801 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -8.470 -7.015 13.267 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 1.864 3.628 5.281 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 1.218 4.357 5.177 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 1.698 3.292 6.181 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -3.767 4.117 -0.780 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -3.045 3.686 -1.253 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -3.329 4.806 -0.252 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -1.244 -7.191 15.198 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -2.098 -7.600 14.927 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -0.737 -7.137 14.378 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -0.174 5.489 4.982 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -0.328 5.360 4.021 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -0.878 6.112 5.257 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -1.430 -2.476 15.685 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -1.177 -1.864 16.409 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -1.520 -3.348 16.129 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -2.735 6.220 1.134 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -2.652 7.203 1.148 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -3.620 6.056 1.477 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -7.885 -5.147 8.650 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.800 -4.889 9.590 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.840 -5.036 8.458 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -7.363 7.750 3.698 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -8.090 7.393 3.179 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -7.408 7.254 4.545 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -0.363 5.200 2.254 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 0.340 5.841 2.026 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -1.157 5.533 1.779 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -3.723 1.334 0.648 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -2.763 1.449 0.441 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -3.967 2.158 1.111 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 3.818 -1.534 1.649 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 3.848 -2.512 1.558 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 4.389 -1.213 0.930 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -5.954 -6.761 10.256 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -6.348 -5.987 10.712 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -6.069 -6.563 9.314 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 0.458 -4.566 22.824 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 0.579 -3.954 23.582 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 1.374 -4.777 22.546 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 0.588 -8.030 17.210 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 0.071 -7.897 18.026 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -0.022 -7.768 16.495 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 4.041 -4.028 17.982 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 3.404 -3.440 18.406 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.199 -3.612 17.100 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -13.302 -8.558 22.242 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -12.372 -8.816 22.365 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -13.678 -9.272 21.697 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.564 -9.000 21.191 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -2.587 -9.958 20.987 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -1.946 -8.629 20.532 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -10.060 6.221 -0.616 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -10.558 6.917 -0.147 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -10.735 5.591 -0.892 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -9.273 7.824 7.500 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -10.167 7.682 7.829 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -9.104 8.760 7.665 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 1.837 1.289 3.824 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 2.038 2.001 4.463 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 1.336 1.741 3.119 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 0.547 2.735 7.889 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -0.163 3.405 7.913 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 0.801 2.621 8.832 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 2.692 -1.252 4.088 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 3.187 -1.312 3.237 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 2.447 -0.297 4.153 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 0.780 -2.735 5.405 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 1.454 -2.151 4.992 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 1.306 -3.455 5.815 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -14.481 1.338 8.529 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -13.798 1.565 9.200 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -15.184 1.980 8.679 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 3.036 -0.385 14.335 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 3.627 -0.616 15.064 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 2.830 -1.245 13.915 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 2.312 -5.400 3.201 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 2.345 -6.273 3.623 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 2.805 -4.819 3.816 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -2.761 0.406 12.708 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -2.000 0.613 13.298 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -3.209 -0.325 13.151 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 1.558 -8.208 8.176 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 1.915 -7.750 8.960 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 1.959 -9.101 8.216 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 4.939 -8.335 2.592 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 5.298 -7.455 2.357 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 4.841 -8.793 1.728 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -14.306 -5.502 7.306 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -14.332 -5.794 8.242 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -15.244 -5.507 7.031 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -7.478 -9.034 10.696 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -7.681 -8.986 11.655 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -6.964 -8.217 10.520 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.358 2.982 8.695 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.012 2.997 9.611 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.553 2.871 8.139 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -2.109 -11.117 7.594 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -1.339 -10.814 7.071 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -1.938 -12.050 7.743 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -1.106 -7.416 7.901 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -0.871 -6.511 8.170 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -0.243 -7.875 7.843 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 2.534 -6.326 10.149 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 2.960 -6.197 11.019 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 3.239 -6.089 9.497 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -10.082 -8.669 6.982 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -10.771 -7.974 7.076 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -9.924 -8.975 7.902 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 0.337 -10.691 6.283 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 0.634 -11.394 5.685 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 1.043 -10.641 6.959 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -7.466 6.372 6.068 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -8.092 6.887 6.629 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -7.547 5.455 6.402 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -8.783 -8.277 17.399 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -9.758 -8.265 17.460 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.483 -8.180 18.328 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -7.846 -8.224 20.021 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -7.383 -7.421 20.292 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -7.995 -8.711 20.863 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -11.814 8.030 0.653 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -11.570 8.960 0.749 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -12.648 8.052 0.164 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -3.210 -4.006 25.317 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -2.828 -4.338 26.157 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -3.042 -3.043 25.345 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 2.477 -6.553 24.986 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 2.771 -5.873 24.341 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 3.122 -7.282 24.871 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -2.549 -7.220 29.393 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -1.697 -7.696 29.509 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -2.919 -7.183 30.280 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 1.706 -0.290 22.721 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 0.831 -0.552 23.081 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 1.721 0.666 22.814 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -0.567 -0.650 17.626 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -1.164 -0.724 18.408 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 0.250 -0.301 17.990 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 3.548 -2.145 23.387 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 2.935 -1.457 23.036 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 4.431 -1.704 23.373 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -0.581 -1.140 23.941 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -1.244 -1.155 24.667 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -1.040 -1.577 23.190 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -2.455 -1.384 25.938 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -3.022 -0.627 26.122 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -2.270 -1.768 26.829 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -0.482 -7.500 19.741 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 0.430 -7.568 20.106 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -0.631 -6.549 19.652 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -2.259 -2.627 28.345 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -2.116 -2.571 29.293 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -2.188 -3.586 28.145 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -3.777 -4.004 22.556 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -3.785 -4.027 23.532 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -3.806 -4.949 22.293 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -7.663 -5.336 29.213 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -8.326 -5.206 29.899 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -7.856 -4.653 28.561 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 2.097 -7.518 20.784 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 2.730 -6.786 20.609 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 2.668 -8.285 20.968 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 7.309 -2.532 21.578 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 6.723 -3.306 21.640 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 8.075 -2.858 21.084 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -1.520 -2.699 21.900 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -0.870 -3.417 22.031 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -2.394 -3.137 22.047 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -3.572 -6.686 22.185 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -3.556 -6.875 23.145 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -3.297 -7.531 21.767 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -1.698 -4.959 16.830 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -2.534 -5.257 17.196 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -1.421 -5.688 16.239 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 6.408 -5.197 21.552 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 7.270 -5.098 21.093 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 6.645 -5.593 22.420 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 1.286 -2.935 24.884 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 0.720 -2.153 24.715 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 2.177 -2.655 24.584 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 3.171 -4.840 22.954 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.601 -5.062 22.107 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 3.398 -3.891 23.098 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 4.010 -5.538 20.353 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 4.927 -5.468 20.713 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 4.051 -5.059 19.501 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -2.051 -5.220 27.521 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -1.168 -5.401 27.124 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -2.221 -5.999 28.096 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 0.338 -5.254 26.088 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 1.164 -5.775 25.975 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 0.597 -4.342 25.829 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 7.175 -8.755 24.820 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 6.639 -9.446 25.270 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 8.030 -9.197 24.635 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -10.813 -10.059 22.080 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -9.861 -9.821 22.104 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -10.906 -10.729 22.782 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -6.005 -7.504 28.847 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.645 -6.776 29.021 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.155 -7.053 28.758 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -0.767 -8.300 26.740 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -0.382 -9.130 27.084 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -1.730 -8.424 26.841 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -8.040 -9.786 22.270 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -8.167 -9.771 23.250 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -7.132 -10.142 22.157 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 6.702 -27.054 1.525 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 5.794 -27.183 1.887 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 7.295 -27.276 2.278 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 9.288 -30.189 4.507 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 9.227 -29.821 5.424 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 10.086 -30.727 4.522 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 7.809 -30.419 10.638 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 7.627 -31.355 10.503 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 7.984 -30.344 11.599 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 13.613 -31.531 15.518 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 12.682 -31.825 15.694 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 13.762 -31.770 14.598 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 1.043 -31.746 8.821 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 0.144 -32.093 8.644 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 1.160 -31.029 8.157 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 14.182 -29.054 16.708 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 14.581 -28.550 15.994 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 13.917 -29.900 16.287 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 4.623 -35.269 15.671 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 3.913 -35.745 15.196 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 4.200 -34.990 16.516 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 8.915 -32.469 14.070 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 8.278 -32.456 14.813 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 8.834 -31.579 13.673 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 11.058 -32.396 15.794 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 10.378 -32.541 15.102 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 10.563 -32.449 16.629 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 10.136 -26.899 10.133 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 9.418 -27.371 9.655 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 10.276 -26.082 9.601 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 10.683 -26.804 2.522 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 11.457 -27.308 2.782 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 11.046 -26.079 1.965 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 9.100 -28.916 6.864 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 8.641 -28.916 7.725 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 9.107 -27.967 6.602 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 6.260 -33.022 4.147 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 5.674 -32.833 4.915 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 6.458 -33.957 4.225 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 13.577 -25.835 18.514 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 13.121 -26.244 19.292 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 13.554 -26.526 17.838 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 7.558 -32.579 16.454 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 8.153 -32.376 17.205 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 7.528 -33.558 16.432 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 10.037 -23.012 3.475 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 10.778 -22.932 2.845 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 9.255 -23.169 2.904 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 5.940 -31.801 -0.599 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 6.604 -32.436 -0.873 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 6.457 -31.071 -0.190 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 8.659 -29.850 13.204 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 9.498 -29.488 12.842 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 8.329 -29.150 13.782 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 11.672 -26.459 12.921 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 11.933 -26.154 12.046 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 11.508 -27.412 12.802 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 8.905 -26.054 12.477 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 9.318 -26.302 11.626 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 9.661 -25.930 13.075 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 6.615 -26.362 11.000 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 7.346 -26.190 11.638 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 5.888 -26.709 11.559 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 7.869 -28.132 9.253 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 7.787 -28.999 9.721 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 7.275 -27.536 9.750 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 10.861 -28.901 11.819 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 10.596 -28.216 11.162 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 11.163 -29.641 11.279 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 7.192 -29.749 0.685 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 7.056 -30.027 1.615 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 7.139 -28.780 0.718 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 14.120 -27.881 29.694 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 14.617 -27.786 30.529 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 14.793 -28.140 29.044 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 20.365 -26.875 29.404 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 21.316 -26.716 29.394 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 19.976 -26.010 29.208 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 10.481 -30.863 21.938 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 10.061 -30.128 22.456 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 10.997 -31.347 22.595 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 18.465 -27.114 25.572 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 17.827 -27.537 24.981 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 17.999 -26.315 25.892 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 13.485 -32.247 29.042 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 12.606 -32.602 29.200 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 13.361 -31.621 28.294 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 16.022 -29.136 27.695 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 15.983 -29.934 28.276 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 16.976 -28.903 27.682 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 5.905 -29.579 28.173 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 5.474 -29.418 29.020 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 5.205 -29.973 27.620 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 15.663 -27.660 25.242 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 15.669 -28.303 25.975 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 15.832 -26.800 25.681 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 16.570 -25.457 26.695 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 16.237 -24.538 26.646 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 16.795 -25.577 27.640 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 11.803 -31.533 19.486 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 12.689 -31.127 19.405 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 11.526 -31.321 20.394 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 15.799 -27.777 31.926 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 16.666 -27.997 31.507 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 15.668 -28.475 32.575 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 12.473 -29.174 24.812 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 12.844 -28.596 24.122 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 11.662 -28.710 25.103 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 8.322 -28.460 27.558 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 7.506 -28.959 27.801 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 8.949 -28.669 28.268 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 14.315 -30.185 19.197 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 14.694 -31.031 18.863 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 14.217 -29.635 18.387 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 15.055 -32.359 17.751 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 15.457 -33.210 17.555 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 14.558 -32.133 16.937 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 13.927 -27.416 23.096 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 14.464 -27.750 22.343 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 14.531 -27.495 23.872 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 9.103 -35.273 18.014 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 8.457 -35.382 17.283 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 9.242 -36.165 18.341 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 9.403 -28.777 23.221 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 9.741 -28.408 24.064 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 8.624 -28.227 23.016 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 10.688 -28.818 19.969 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 10.409 -29.399 20.696 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 10.737 -29.404 19.203 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 9.606 -32.612 18.296 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 9.594 -33.599 18.335 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 10.469 -32.362 18.708 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 10.202 -27.771 25.658 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 9.485 -28.156 26.206 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 10.621 -27.109 26.254 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 16.013 -31.284 29.346 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 15.090 -31.630 29.353 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 16.557 -32.067 29.466 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 5.855 -24.319 30.286 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 5.343 -24.831 29.625 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 6.738 -24.689 30.240 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 18.113 -28.209 30.566 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 18.116 -28.767 29.766 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 19.028 -27.881 30.628 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 18.718 -28.518 27.878 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 18.750 -28.124 26.976 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 19.486 -28.124 28.334 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 11.155 -26.244 27.707 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 11.304 -27.120 28.133 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 11.709 -25.639 28.211 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 11.718 -28.705 28.701 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 12.465 -28.403 29.264 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 12.109 -29.411 28.152 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 13.422 -30.285 27.125 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 14.307 -29.882 27.193 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 13.101 -30.010 26.235 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 15.472 -28.387 20.973 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 14.950 -28.969 20.372 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 16.305 -28.858 21.089 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 8.661 -20.526 -2.704 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 9.353 -21.137 -2.378 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 8.472 -19.946 -1.934 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 6.579 -18.364 -6.985 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 7.222 -18.676 -7.631 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 7.046 -18.456 -6.117 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 11.909 -15.459 -2.417 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 12.714 -15.884 -2.785 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 11.373 -15.262 -3.190 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 5.898 -20.641 -2.882 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 5.722 -21.150 -2.064 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 6.861 -20.726 -3.012 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 4.402 -24.226 -1.562 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 5.150 -24.824 -1.350 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 4.652 -23.376 -1.144 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 4.082 -15.279 1.927 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 3.385 -14.589 1.819 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 4.573 -14.996 2.722 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 4.916 -17.643 -0.261 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 5.079 -16.901 0.344 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 5.225 -18.438 0.244 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 7.803 -18.973 -0.589 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 7.231 -19.300 0.149 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 7.309 -18.229 -0.954 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 10.116 -22.107 -1.008 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 9.398 -22.776 -0.980 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 9.876 -21.470 -0.305 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 5.585 -21.951 -0.500 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 6.457 -22.389 -0.434 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 5.655 -21.177 0.108 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 7.770 -18.758 -4.613 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 8.333 -19.434 -4.186 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 7.141 -18.510 -3.926 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 6.765 -24.429 -3.719 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 7.295 -23.876 -3.133 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 6.874 -25.321 -3.368 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 7.857 -23.585 -0.615 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 7.516 -24.499 -0.743 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 7.891 -23.477 0.365 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 7.792 -14.792 10.299 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 8.737 -14.995 10.488 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 7.830 -14.149 9.551 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 6.456 -14.479 6.332 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 6.787 -13.986 7.107 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 5.563 -14.799 6.614 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 9.404 -19.178 8.632 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 9.202 -18.775 7.759 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 9.082 -20.104 8.545 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 8.356 -21.662 9.048 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 8.518 -21.427 9.979 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 7.892 -22.521 9.096 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 9.067 -20.150 11.267 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 9.780 -19.955 11.899 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 9.334 -19.679 10.450 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 8.926 -14.696 5.173 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.005 -14.722 5.514 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 8.854 -15.028 4.263 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 11.654 -16.518 6.796 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 11.377 -16.823 5.912 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 11.452 -15.561 6.794 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 10.362 -15.608 10.742 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 10.368 -16.019 11.634 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 10.842 -16.257 10.177 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 10.332 -16.981 13.091 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 10.079 -17.829 13.517 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 10.018 -16.297 13.713 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 8.712 -18.499 6.048 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 9.379 -18.026 5.507 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 8.706 -19.410 5.674 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 6.748 -15.096 14.279 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 6.335 -14.838 15.110 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 6.947 -16.057 14.399 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 10.094 -11.304 7.828 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 10.128 -10.373 8.073 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 10.428 -11.776 8.623 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 9.448 -14.447 14.180 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 9.594 -13.833 13.421 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 8.480 -14.579 14.196 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 9.475 -23.403 6.144 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 9.830 -23.457 5.233 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 9.082 -22.515 6.190 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 12.662 -17.863 11.913 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 11.858 -17.510 12.342 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 12.469 -17.801 10.955 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 11.581 -17.561 9.311 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 10.902 -18.233 9.093 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 11.831 -17.185 8.433 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 10.016 -19.615 14.092 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 10.549 -19.671 14.909 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 9.301 -20.256 14.231 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 12.120 -24.921 1.145 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 11.995 -23.961 1.294 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 12.861 -24.972 0.536 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 9.661 -20.251 1.057 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.378 -19.570 0.418 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 8.922 -20.276 1.716 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.774 -20.954 4.836 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 9.378 -21.578 4.387 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 8.196 -20.616 4.109 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.090 -14.434 16.461 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 10.435 -14.537 15.738 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 11.757 -13.849 16.091 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 6.349 -17.830 7.290 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 7.137 -18.035 6.737 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 5.747 -17.369 6.687 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.848 -13.233 9.579 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.023 -13.553 8.669 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.809 -14.057 10.114 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 7.320 -17.724 14.778 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 7.662 -18.289 15.499 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 7.126 -18.354 14.053 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 7.853 -21.722 14.679 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 8.347 -22.507 14.410 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 7.174 -22.069 15.308 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.502 -12.674 12.039 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 8.818 -12.010 11.832 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.041 -12.721 11.228 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 10.580 -17.454 4.265 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 10.331 -16.645 3.768 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.803 -18.092 3.578 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.750 -22.872 1.973 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.571 -21.937 2.222 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 7.077 -23.391 2.482 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 10.015 -15.267 2.621 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 10.400 -15.353 1.719 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 10.299 -14.394 2.916 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 7.183 -24.172 9.325 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 6.743 -24.318 8.453 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 6.855 -24.904 9.884 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 5.550 -13.623 3.832 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 5.746 -14.099 4.668 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 5.676 -12.685 4.062 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 8.182 -9.778 18.404 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 8.492 -10.643 18.118 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 7.695 -9.963 19.234 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.119 -17.551 18.180 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.740 -18.149 17.503 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 9.800 -18.094 18.621 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 11.506 -15.259 0.302 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 12.448 -15.214 0.486 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 11.458 -15.331 -0.677 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 8.400 -19.643 16.585 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 8.057 -20.477 16.226 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 9.362 -19.813 16.710 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 14.006 -16.698 -3.675 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 14.600 -16.444 -4.388 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 14.297 -17.582 -3.425 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 14.649 -18.297 13.720 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 13.864 -18.190 13.128 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 15.375 -17.919 13.214 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 11.576 -22.263 1.282 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 11.144 -21.418 1.519 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 11.414 -22.345 0.320 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 14.749 -19.757 16.021 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 14.644 -19.246 15.180 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 15.475 -20.364 15.835 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 11.123 -19.815 16.711 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 11.677 -19.026 16.889 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 11.627 -20.552 17.114 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 6.101 -22.596 16.534 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 5.818 -23.520 16.707 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 5.594 -22.073 17.165 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 15.759 -25.619 20.194 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 15.065 -25.588 19.503 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 15.723 -26.537 20.525 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 17.019 -23.361 20.987 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 17.960 -23.486 20.819 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 16.606 -24.202 20.671 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 5.523 -12.407 1.293 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 5.449 -12.990 2.078 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 5.617 -13.020 0.552 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 4.488 -12.477 9.624 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 4.698 -12.689 10.550 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 4.583 -13.341 9.155 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 7.734 -12.824 8.347 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 7.192 -12.020 8.494 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 8.566 -12.481 7.970 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 6.943 -19.712 12.916 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 7.041 -20.469 13.524 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.616 -19.879 12.221 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 9.913 -15.053 18.836 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.456 -14.771 18.064 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 9.533 -15.917 18.553 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 6.089 -13.413 11.978 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 6.186 -13.894 12.824 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 6.668 -13.907 11.356 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 7.254 -10.990 11.528 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 6.705 -11.792 11.671 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 6.999 -10.681 10.636 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 10.818 -13.840 6.865 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.113 -14.176 6.259 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 10.705 -12.872 6.845 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 9.790 -24.701 8.580 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 9.921 -24.060 7.847 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.930 -24.439 8.971 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 5.633 -10.782 3.619 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 5.587 -9.817 3.445 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 5.641 -11.181 2.729 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.906 -26.251 6.464 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 9.348 -25.844 7.234 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.761 -25.509 5.860 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 8.784 -19.460 24.882 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 9.237 -18.590 24.918 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 8.808 -19.784 25.810 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 4.881 -19.704 25.472 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 4.681 -20.646 25.288 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 5.424 -19.425 24.708 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 19.553 -19.071 26.182 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 19.164 -19.048 25.277 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 20.071 -18.266 26.236 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 18.531 -21.567 26.589 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 18.672 -21.969 27.464 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 19.021 -20.714 26.631 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.956 -20.468 27.440 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 9.652 -20.610 28.127 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 8.217 -20.048 27.935 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.315 -18.475 25.587 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.131 -18.752 25.108 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.627 -18.295 26.504 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 6.537 -19.101 23.384 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 6.704 -18.200 23.080 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 7.343 -19.333 23.902 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.962 -19.169 19.804 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.067 -18.531 19.070 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 11.999 -19.138 20.011 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 10.050 -20.395 22.589 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 9.588 -20.137 23.414 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 10.103 -21.355 22.638 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 11.100 -18.716 32.513 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 11.103 -18.268 33.387 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 10.809 -19.630 32.716 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.255 -19.100 20.244 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.343 -19.640 21.065 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 9.360 -18.715 20.315 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 8.778 -16.745 29.416 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 8.537 -16.129 30.120 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 9.088 -16.179 28.699 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 2.700 -12.011 29.176 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 2.394 -12.834 28.740 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 2.581 -12.191 30.132 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 15.207 -23.590 33.871 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 15.148 -22.682 33.549 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 15.824 -23.533 34.639 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.132 -18.228 29.882 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.194 -18.363 30.862 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.250 -17.830 29.754 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.632 -23.848 21.451 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.210 -23.634 20.693 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.203 -24.368 22.041 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 17.239 -20.812 22.150 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 17.235 -21.695 21.727 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 16.364 -20.432 21.913 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 18.587 -18.878 23.614 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 18.625 -18.129 23.014 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 18.202 -19.599 23.073 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 7.239 -18.987 28.923 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 7.749 -18.170 29.101 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 6.408 -18.666 28.495 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 12.779 -23.399 19.576 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 12.892 -22.677 18.921 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 12.993 -24.215 19.071 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 14.308 -22.921 21.769 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 15.243 -23.122 21.550 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.815 -23.135 20.942 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 17.963 -23.010 28.917 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 17.842 -22.691 29.817 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 17.823 -23.978 28.984 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 13.195 -21.189 17.959 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 13.802 -20.792 17.305 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 13.188 -20.548 18.702 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 13.721 -21.250 28.117 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 14.398 -21.869 27.778 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 14.096 -20.374 27.956 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 13.243 -18.225 28.163 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 13.916 -17.744 28.657 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 12.459 -18.227 28.762 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.180 -17.107 24.386 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 10.327 -17.086 23.427 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 11.012 -17.482 24.751 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 6.091 -20.222 35.490 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 6.534 -21.066 35.711 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 6.661 -19.546 35.878 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 13.130 -17.971 17.319 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 13.820 -18.502 16.859 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 13.177 -17.104 16.895 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.150 -20.827 28.906 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 12.073 -21.096 28.692 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 11.254 -19.999 29.412 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 7.747 -17.978 20.568 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 7.691 -17.669 19.648 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.040 -18.663 20.634 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 16.292 -25.086 31.769 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.862 -24.579 32.485 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 16.025 -26.014 31.940 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 14.369 -19.737 24.355 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 15.201 -20.172 24.652 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 14.476 -19.659 23.380 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 14.633 -20.161 21.690 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 14.074 -19.723 21.006 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 14.328 -21.092 21.688 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 17.449 -25.679 29.367 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 17.670 -26.608 29.567 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 16.972 -25.371 30.175 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 16.568 -21.293 24.783 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 17.376 -21.338 25.352 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 16.922 -21.204 23.875 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 12.457 -26.909 20.699 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 12.758 -27.208 21.572 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 11.761 -27.560 20.447 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.172 -14.298 23.363 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.182 -14.892 24.128 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 9.369 -14.893 22.599 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 5.788 -19.879 20.854 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 5.946 -19.798 21.819 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 4.834 -19.982 20.779 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.310 -12.697 21.946 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 7.877 -13.232 22.538 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.764 -12.742 21.075 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.700 -17.878 35.116 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 10.894 -17.350 35.893 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 10.130 -18.601 35.452 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 9.246 -20.163 35.608 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 9.646 -20.372 34.737 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 8.729 -20.955 35.824 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 16.885 -23.133 35.984 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 16.616 -22.735 36.819 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 17.813 -23.357 36.113 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 10.050 -21.162 33.172 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 10.304 -22.063 33.429 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 9.125 -21.252 32.862 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 12.687 -24.559 34.518 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 12.805 -25.505 34.390 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 13.556 -24.175 34.274 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 9.584 -16.102 21.422 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.831 -15.743 20.546 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.926 -16.799 21.219 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 5.372 -10.484 25.921 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 5.161 -11.410 25.747 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 5.122 -10.352 26.869 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 4.508 -10.101 28.461 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 3.899 -10.828 28.723 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 4.449 -9.472 29.186 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 4.951 -18.193 27.673 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 4.229 -17.575 27.523 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 4.940 -18.775 26.873 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 5.444 -23.953 36.334 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 5.158 -24.731 35.846 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 4.685 -23.747 36.917 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 4.466 -25.660 28.330 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 3.841 -26.400 28.211 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 5.191 -25.861 27.704 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 15.823 -22.749 27.019 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 16.018 -22.290 26.174 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 16.635 -22.623 27.550 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 8.886 -12.646 19.689 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 9.155 -13.538 19.370 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.719 -12.187 19.834 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 12.739 -24.694 23.219 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 13.377 -24.232 22.636 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 13.076 -25.611 23.258 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 7.645 -22.529 35.550 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.431 -23.109 35.468 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 6.936 -23.127 35.895 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 10.306 -23.384 35.169 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.081 -23.896 34.837 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.632 -22.967 35.974 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 10.677 -12.000 23.405 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.066 -12.770 23.400 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.546 -12.388 23.269 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 5.979 -5.881 1.805 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 6.772 -5.333 1.735 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 5.919 -6.333 0.925 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 5.007 -7.987 6.601 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 4.239 -8.422 6.207 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 5.291 -7.335 5.916 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 6.455 -2.899 3.631 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 6.662 -2.714 2.687 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 7.107 -2.387 4.119 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.665 -7.235 19.374 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.682 -7.580 20.292 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.576 -8.038 18.821 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 3.778 -4.229 1.209 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 4.574 -4.777 1.351 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 3.091 -4.668 1.757 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 5.366 -6.336 17.169 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 6.160 -6.066 16.663 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 4.960 -5.487 17.451 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 1.795 1.817 13.262 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 2.446 2.526 13.269 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 2.291 1.030 13.593 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 4.276 -5.812 8.121 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 4.320 -5.152 7.418 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 4.641 -6.625 7.711 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 3.879 -5.643 12.772 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 4.578 -5.027 13.054 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 4.111 -6.482 13.222 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.630 -5.980 15.603 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.728 -6.778 15.061 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.408 -5.987 16.180 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.729 -9.548 24.062 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 10.433 -9.270 24.657 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.002 -10.454 23.775 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 5.901 -0.776 23.112 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 6.447 -1.373 22.551 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 6.422 0.028 23.175 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.874 -4.753 20.447 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.834 -5.584 19.917 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 9.816 -4.599 20.571 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 7.390 -6.276 23.842 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.293 -7.153 24.285 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.339 -5.640 24.564 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 6.873 -10.048 20.793 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 7.407 -9.430 21.338 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 6.899 -10.889 21.291 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 8.526 -8.148 21.987 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 9.030 -8.670 22.648 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 8.160 -7.403 22.502 1.00 0.00 WAT1 END