REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1206.34, 63.4595, 71.1087, 27.959, 397.687, -376.898, -1391.89, 2.01715, 0.225682 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.768983E-03,0.431972,1.03936,42.6139,4.075401E-03,0.19542 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 7 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:35:39 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -15.856 4.661 -10.544 1.00 22.22 ATOM 2 CB MET 1 -16.612 5.122 -8.588 1.00 71.33 ATOM 3 HB1 MET 1 -16.976 4.576 -7.730 1.00 36.81 ATOM 4 HB2 MET 1 -17.408 5.747 -8.967 1.00 22.54 ATOM 5 CG MET 1 -15.472 6.028 -8.129 1.00 24.20 ATOM 6 HG1 MET 1 -15.073 6.547 -8.989 1.00 36.81 ATOM 7 HG2 MET 1 -14.696 5.417 -7.690 1.00 71.51 ATOM 8 SD MET 1 -15.994 7.252 -6.910 1.00 2.42 ATOM 9 CE MET 1 -16.607 6.193 -5.603 1.00 53.32 ATOM 10 HE1 MET 1 -15.798 5.582 -5.227 1.00 42.41 ATOM 11 HE2 MET 1 -17.387 5.557 -5.992 1.00 72.41 ATOM 12 HE3 MET 1 -17.003 6.800 -4.802 1.00 25.34 ATOM 13 C MET 1 -15.074 3.211 -9.171 1.00 40.54 ATOM 14 O MET 1 -13.942 3.298 -9.648 1.00 35.54 ATOM 15 N MET 1 -17.394 3.315 -10.106 1.00 1.32 ATOM 16 HT1 MET 1 -18.145 3.943 -10.456 1.00 36.81 ATOM 17 HT2 MET 1 -17.770 2.764 -9.307 1.00 36.81 ATOM 18 HT3 MET 1 -17.128 2.658 -10.869 1.00 36.81 ATOM 19 CA MET 1 -16.211 4.115 -9.679 1.00 10.13 ATOM 20 N GLY 2 -15.376 2.342 -8.205 1.00 44.02 ATOM 21 HN GLY 2 -16.297 2.292 -7.867 1.00 36.81 ATOM 22 CA GLY 2 -14.355 1.454 -7.650 1.00 10.13 ATOM 23 HA1 GLY 2 -13.698 2.036 -7.020 1.00 36.81 ATOM 24 HA2 GLY 2 -13.776 1.038 -8.461 1.00 65.22 ATOM 25 C GLY 2 -14.934 0.306 -6.823 1.00 30.41 ATOM 26 O GLY 2 -15.373 0.509 -5.691 1.00 34.33 ATOM 27 N HIS 3 -14.926 -0.905 -7.383 1.00 21.32 ATOM 28 HN HIS 3 -14.568 -1.005 -8.290 1.00 36.81 ATOM 29 CA HIS 3 -15.429 -2.089 -6.673 1.00 3.11 ATOM 30 HA HIS 3 -16.289 -1.779 -6.093 1.00 61.21 ATOM 31 CB HIS 3 -15.878 -3.169 -7.673 1.00 54.23 ATOM 32 HB1 HIS 3 -16.724 -2.796 -8.234 1.00 36.81 ATOM 33 HB2 HIS 3 -16.182 -4.050 -7.126 1.00 31.03 ATOM 34 CG HIS 3 -14.821 -3.585 -8.657 1.00 52.02 ATOM 35 ND1 HIS 3 -13.765 -4.402 -8.323 1.00 2.52 ATOM 36 HD1 HIS 3 -13.585 -4.768 -7.431 1.00 11.43 ATOM 37 CD2 HIS 3 -14.665 -3.300 -9.974 1.00 43.54 ATOM 38 HD2 HIS 3 -15.313 -2.680 -10.577 1.00 35.14 ATOM 39 CE1 HIS 3 -13.010 -4.605 -9.381 1.00 20.54 ATOM 40 HE1 HIS 3 -12.114 -5.207 -9.409 1.00 30.50 ATOM 41 NE2 HIS 3 -13.529 -3.948 -10.398 1.00 63.15 ATOM 42 HE2 HIS 3 -13.058 -3.765 -11.238 1.00 36.81 ATOM 43 C HIS 3 -14.370 -2.652 -5.707 1.00 30.01 ATOM 44 O HIS 3 -13.276 -3.032 -6.121 1.00 41.42 ATOM 45 N HIS 4 -14.704 -2.704 -4.419 1.00 61.35 ATOM 46 HN HIS 4 -15.602 -2.415 -4.151 1.00 36.81 ATOM 47 CA HIS 4 -13.768 -3.175 -3.386 1.00 10.01 ATOM 48 HA HIS 4 -12.816 -3.368 -3.864 1.00 21.33 ATOM 49 CB HIS 4 -13.574 -2.087 -2.324 1.00 62.23 ATOM 50 HB1 HIS 4 -12.918 -2.459 -1.549 1.00 36.81 ATOM 51 HB2 HIS 4 -14.532 -1.840 -1.891 1.00 73.52 ATOM 52 CG HIS 4 -12.978 -0.825 -2.867 1.00 50.13 ATOM 53 ND1 HIS 4 -11.621 -0.617 -2.964 1.00 23.55 ATOM 54 HD1 HIS 4 -10.924 -1.248 -2.681 1.00 52.51 ATOM 55 CD2 HIS 4 -13.560 0.297 -3.353 1.00 32.43 ATOM 56 HD2 HIS 4 -14.622 0.487 -3.431 1.00 1.41 ATOM 57 CE1 HIS 4 -11.393 0.572 -3.484 1.00 11.41 ATOM 58 HE1 HIS 4 -10.420 1.000 -3.679 1.00 34.32 ATOM 59 NE2 HIS 4 -12.550 1.148 -3.731 1.00 62.30 ATOM 60 HE2 HIS 4 -12.664 2.102 -3.927 1.00 36.81 ATOM 61 C HIS 4 -14.257 -4.474 -2.718 1.00 43.13 ATOM 62 O HIS 4 -15.332 -4.510 -2.116 1.00 11.12 ATOM 63 N HIS 5 -13.461 -5.537 -2.824 1.00 14.10 ATOM 64 HN HIS 5 -12.618 -5.451 -3.320 1.00 36.81 ATOM 65 CA HIS 5 -13.802 -6.835 -2.217 1.00 74.14 ATOM 66 HA HIS 5 -14.488 -6.652 -1.400 1.00 42.41 ATOM 67 CB HIS 5 -14.483 -7.751 -3.246 1.00 61.11 ATOM 68 HB1 HIS 5 -14.715 -8.697 -2.776 1.00 36.81 ATOM 69 HB2 HIS 5 -13.803 -7.923 -4.068 1.00 45.50 ATOM 70 CG HIS 5 -15.752 -7.195 -3.813 1.00 54.21 ATOM 71 ND1 HIS 5 -15.882 -6.812 -5.129 1.00 74.42 ATOM 72 HD1 HIS 5 -15.178 -6.866 -5.815 1.00 74.11 ATOM 73 CD2 HIS 5 -16.957 -6.965 -3.239 1.00 51.35 ATOM 74 HD2 HIS 5 -17.223 -7.154 -2.208 1.00 32.11 ATOM 75 CE1 HIS 5 -17.104 -6.368 -5.339 1.00 63.41 ATOM 76 HE1 HIS 5 -17.489 -5.996 -6.278 1.00 34.01 ATOM 77 NE2 HIS 5 -17.779 -6.449 -4.210 1.00 44.14 ATOM 78 HE2 HIS 5 -18.645 -6.018 -4.044 1.00 36.81 ATOM 79 C HIS 5 -12.553 -7.540 -1.659 1.00 33.13 ATOM 80 O HIS 5 -11.424 -7.211 -2.028 1.00 2.20 ATOM 81 N HIS 6 -12.771 -8.523 -0.781 1.00 54.31 ATOM 82 HN HIS 6 -13.695 -8.736 -0.528 1.00 36.81 ATOM 83 CA HIS 6 -11.674 -9.302 -0.191 1.00 33.12 ATOM 84 HA HIS 6 -10.869 -8.615 0.035 1.00 42.22 ATOM 85 CB HIS 6 -12.131 -9.972 1.113 1.00 51.41 ATOM 86 HB1 HIS 6 -11.344 -10.619 1.474 1.00 36.81 ATOM 87 HB2 HIS 6 -13.014 -10.565 0.916 1.00 52.43 ATOM 88 CG HIS 6 -12.466 -9.000 2.203 1.00 2.53 ATOM 89 ND1 HIS 6 -13.757 -8.737 2.609 1.00 61.31 ATOM 90 HD1 HIS 6 -14.570 -9.154 2.246 1.00 44.55 ATOM 91 CD2 HIS 6 -11.668 -8.232 2.983 1.00 53.25 ATOM 92 HD2 HIS 6 -10.589 -8.183 2.947 1.00 71.14 ATOM 93 CE1 HIS 6 -13.740 -7.854 3.584 1.00 22.02 ATOM 94 HE1 HIS 6 -14.606 -7.461 4.095 1.00 21.34 ATOM 95 NE2 HIS 6 -12.489 -7.530 3.831 1.00 74.22 ATOM 96 HE2 HIS 6 -12.206 -6.791 4.413 1.00 36.81 ATOM 97 C HIS 6 -11.149 -10.368 -1.167 1.00 50.34 ATOM 98 O HIS 6 -11.827 -11.361 -1.448 1.00 14.42 ATOM 99 N HIS 7 -9.936 -10.158 -1.669 1.00 70.23 ATOM 100 HN HIS 7 -9.431 -9.369 -1.369 1.00 36.81 ATOM 101 CA HIS 7 -9.323 -11.066 -2.644 1.00 22.13 ATOM 102 HA HIS 7 -10.099 -11.400 -3.319 1.00 55.51 ATOM 103 CB HIS 7 -8.257 -10.311 -3.450 1.00 55.53 ATOM 104 HB1 HIS 7 -7.486 -9.964 -2.775 1.00 36.81 ATOM 105 HB2 HIS 7 -8.716 -9.457 -3.927 1.00 4.54 ATOM 106 CG HIS 7 -7.598 -11.135 -4.518 1.00 60.24 ATOM 107 ND1 HIS 7 -8.098 -11.245 -5.797 1.00 63.41 ATOM 108 HD1 HIS 7 -8.912 -10.811 -6.133 1.00 33.35 ATOM 109 CD2 HIS 7 -6.467 -11.883 -4.496 1.00 12.22 ATOM 110 HD2 HIS 7 -5.811 -12.032 -3.648 1.00 35.21 ATOM 111 CE1 HIS 7 -7.310 -12.022 -6.513 1.00 3.23 ATOM 112 HE1 HIS 7 -7.454 -12.287 -7.550 1.00 1.52 ATOM 113 NE2 HIS 7 -6.316 -12.422 -5.748 1.00 51.22 ATOM 114 HE2 HIS 7 -5.603 -13.042 -6.024 1.00 36.81 ATOM 115 C HIS 7 -8.695 -12.292 -1.958 1.00 20.30 ATOM 116 O HIS 7 -7.854 -12.156 -1.068 1.00 54.11 ATOM 117 N HIS 8 -9.091 -13.489 -2.394 1.00 63.03 ATOM 118 HN HIS 8 -9.757 -13.536 -3.118 1.00 36.81 ATOM 119 CA HIS 8 -8.541 -14.733 -1.842 1.00 33.41 ATOM 120 HA HIS 8 -8.502 -14.625 -0.766 1.00 42.11 ATOM 121 CB HIS 8 -9.447 -15.924 -2.188 1.00 44.32 ATOM 122 HB1 HIS 8 -8.969 -16.838 -1.867 1.00 36.81 ATOM 123 HB2 HIS 8 -9.597 -15.958 -3.257 1.00 51.23 ATOM 124 CG HIS 8 -10.798 -15.857 -1.538 1.00 50.32 ATOM 125 ND1 HIS 8 -11.136 -16.595 -0.424 1.00 22.40 ATOM 126 HD1 HIS 8 -10.547 -17.225 0.048 1.00 75.13 ATOM 127 CD2 HIS 8 -11.900 -15.134 -1.850 1.00 22.35 ATOM 128 HD2 HIS 8 -11.999 -14.437 -2.670 1.00 14.03 ATOM 129 CE1 HIS 8 -12.381 -16.333 -0.082 1.00 45.12 ATOM 130 HE1 HIS 8 -12.912 -16.767 0.753 1.00 13.02 ATOM 131 NE2 HIS 8 -12.868 -15.448 -0.927 1.00 1.32 ATOM 132 HE2 HIS 8 -13.698 -14.940 -0.787 1.00 36.81 ATOM 133 C HIS 8 -7.112 -14.971 -2.360 1.00 50.15 ATOM 134 O HIS 8 -6.911 -15.485 -3.462 1.00 14.03 ATOM 135 N SER 9 -6.122 -14.573 -1.560 1.00 21.40 ATOM 136 HN SER 9 -6.345 -14.232 -0.667 1.00 36.81 ATOM 137 CA SER 9 -4.709 -14.624 -1.978 1.00 3.33 ATOM 138 HA SER 9 -4.688 -14.656 -3.057 1.00 32.12 ATOM 139 CB SER 9 -3.971 -13.357 -1.515 1.00 41.41 ATOM 140 HB1 SER 9 -3.955 -13.324 -0.434 1.00 36.81 ATOM 141 HB2 SER 9 -4.487 -12.484 -1.891 1.00 22.34 ATOM 142 OG SER 9 -2.630 -13.330 -1.992 1.00 42.33 ATOM 143 HG SER 9 -2.130 -14.059 -1.596 1.00 54.23 ATOM 144 C SER 9 -3.981 -15.866 -1.443 1.00 62.43 ATOM 145 O SER 9 -2.916 -16.219 -1.950 1.00 62.11 ATOM 146 N HIS 10 -4.556 -16.518 -0.427 1.00 2.04 ATOM 147 HN HIS 10 -5.429 -16.211 -0.103 1.00 36.81 ATOM 148 CA HIS 10 -3.933 -17.690 0.219 1.00 55.32 ATOM 149 HA HIS 10 -4.620 -18.032 0.981 1.00 30.25 ATOM 150 CB HIS 10 -3.722 -18.834 -0.790 1.00 23.52 ATOM 151 HB1 HIS 10 -3.009 -19.539 -0.381 1.00 36.81 ATOM 152 HB2 HIS 10 -3.324 -18.427 -1.708 1.00 21.11 ATOM 153 CG HIS 10 -4.971 -19.589 -1.126 1.00 13.33 ATOM 154 ND1 HIS 10 -5.149 -20.919 -0.810 1.00 43.10 ATOM 155 HD1 HIS 10 -4.494 -21.496 -0.354 1.00 42.22 ATOM 156 CD2 HIS 10 -6.106 -19.203 -1.757 1.00 15.23 ATOM 157 HD2 HIS 10 -6.323 -18.218 -2.149 1.00 60.51 ATOM 158 CE1 HIS 10 -6.331 -21.317 -1.227 1.00 74.43 ATOM 159 HE1 HIS 10 -6.739 -22.311 -1.114 1.00 23.15 ATOM 160 NE2 HIS 10 -6.931 -20.299 -1.802 1.00 22.12 ATOM 161 HE2 HIS 10 -7.837 -20.318 -2.176 1.00 36.81 ATOM 162 C HIS 10 -2.592 -17.346 0.900 1.00 12.20 ATOM 163 O HIS 10 -1.567 -17.202 0.235 1.00 65.45 ATOM 164 N PRO 11 -2.583 -17.195 2.242 1.00 24.11 ATOM 165 CA PRO 11 -1.338 -17.013 3.006 1.00 73.55 ATOM 166 HA PRO 11 -0.761 -16.180 2.627 1.00 53.33 ATOM 167 CB PRO 11 -1.824 -16.702 4.439 1.00 42.15 ATOM 168 HB1 PRO 11 -1.271 -15.862 4.835 1.00 36.81 ATOM 169 HB2 PRO 11 -1.671 -17.566 5.073 1.00 51.25 ATOM 170 CG PRO 11 -3.278 -16.382 4.303 1.00 12.33 ATOM 171 HG1 PRO 11 -3.409 -15.323 4.130 1.00 36.81 ATOM 172 HG2 PRO 11 -3.807 -16.683 5.198 1.00 44.11 ATOM 173 CD PRO 11 -3.764 -17.170 3.117 1.00 3.13 ATOM 174 HD1 PRO 11 -4.593 -16.667 2.638 1.00 36.81 ATOM 175 HD2 PRO 11 -4.047 -18.170 3.415 1.00 52.15 ATOM 176 C PRO 11 -0.468 -18.283 2.994 1.00 2.53 ATOM 177 O PRO 11 -0.943 -19.373 3.327 1.00 11.01 ATOM 178 N ASN 12 0.795 -18.140 2.595 1.00 60.15 ATOM 179 HN ASN 12 1.105 -17.257 2.306 1.00 36.81 ATOM 180 CA ASN 12 1.729 -19.272 2.543 1.00 43.41 ATOM 181 HA ASN 12 1.306 -20.008 1.873 1.00 71.04 ATOM 182 CB ASN 12 3.082 -18.821 1.981 1.00 64.41 ATOM 183 HB1 ASN 12 3.764 -19.661 1.983 1.00 36.81 ATOM 184 HB2 ASN 12 3.484 -18.037 2.606 1.00 13.43 ATOM 185 CG ASN 12 2.976 -18.289 0.564 1.00 32.20 ATOM 186 OD1 ASN 12 1.964 -17.710 0.175 1.00 73.25 ATOM 187 ND2 ASN 12 4.009 -18.497 -0.223 1.00 62.52 ATOM 188 HD21 ASN 12 4.779 -18.978 0.142 1.00 74.24 ATOM 189 HD22 ASN 12 3.964 -18.158 -1.142 1.00 51.25 ATOM 190 C ASN 12 1.922 -19.927 3.921 1.00 43.21 ATOM 191 O ASN 12 1.589 -19.344 4.956 1.00 41.43 ATOM 192 N GLU 13 2.481 -21.137 3.917 1.00 31.04 ATOM 193 HN GLU 13 2.792 -21.508 3.063 1.00 36.81 ATOM 194 CA GLU 13 2.645 -21.941 5.135 1.00 11.13 ATOM 195 HA GLU 13 1.662 -22.271 5.440 1.00 2.02 ATOM 196 CB GLU 13 3.498 -23.178 4.821 1.00 3.32 ATOM 197 HB1 GLU 13 4.454 -22.851 4.435 1.00 36.81 ATOM 198 HB2 GLU 13 2.994 -23.758 4.060 1.00 31.03 ATOM 199 CG GLU 13 3.748 -24.083 6.024 1.00 3.14 ATOM 200 HG1 GLU 13 2.794 -24.372 6.443 1.00 36.81 ATOM 201 HG2 GLU 13 4.309 -23.530 6.766 1.00 43.42 ATOM 202 CD GLU 13 4.522 -25.340 5.662 1.00 2.34 ATOM 203 OE1 GLU 13 3.887 -26.352 5.303 1.00 22.14 ATOM 204 OE2 GLU 13 5.768 -25.325 5.743 1.00 44.43 ATOM 205 C GLU 13 3.276 -21.147 6.291 1.00 14.12 ATOM 206 O GLU 13 2.671 -21.007 7.359 1.00 71.33 ATOM 207 N GLU 14 4.481 -20.620 6.079 1.00 2.34 ATOM 208 HN GLU 14 4.914 -20.743 5.205 1.00 36.81 ATOM 209 CA GLU 14 5.179 -19.871 7.128 1.00 51.41 ATOM 210 HA GLU 14 5.131 -20.461 8.033 1.00 11.23 ATOM 211 CB GLU 14 6.652 -19.658 6.761 1.00 52.04 ATOM 212 HB1 GLU 14 6.709 -18.973 5.928 1.00 36.81 ATOM 213 HB2 GLU 14 7.080 -20.606 6.464 1.00 30.02 ATOM 214 CG GLU 14 7.489 -19.092 7.905 1.00 0.22 ATOM 215 HG1 GLU 14 7.473 -19.795 8.728 1.00 36.81 ATOM 216 HG2 GLU 14 7.049 -18.159 8.228 1.00 1.25 ATOM 217 CD GLU 14 8.933 -18.840 7.511 1.00 33.42 ATOM 218 OE1 GLU 14 9.392 -17.685 7.617 1.00 2.11 ATOM 219 OE2 GLU 14 9.618 -19.800 7.094 1.00 35.23 ATOM 220 C GLU 14 4.507 -18.516 7.396 1.00 2.30 ATOM 221 O GLU 14 4.517 -18.027 8.523 1.00 41.35 ATOM 222 N ALA 15 3.925 -17.916 6.357 1.00 4.30 ATOM 223 HN ALA 15 3.970 -18.343 5.475 1.00 36.81 ATOM 224 CA ALA 15 3.234 -16.624 6.493 1.00 54.42 ATOM 225 HA ALA 15 3.964 -15.892 6.817 1.00 51.52 ATOM 226 CB ALA 15 2.684 -16.174 5.143 1.00 42.04 ATOM 227 HB1 ALA 15 2.222 -15.203 5.247 1.00 32.45 ATOM 228 HB2 ALA 15 1.948 -16.886 4.796 1.00 32.13 ATOM 229 HB3 ALA 15 3.489 -16.113 4.425 1.00 74.42 ATOM 230 C ALA 15 2.101 -16.689 7.533 1.00 5.21 ATOM 231 O ALA 15 2.023 -15.851 8.433 1.00 24.21 ATOM 232 N ARG 16 1.225 -17.687 7.405 1.00 10.22 ATOM 233 HN ARG 16 1.308 -18.301 6.642 1.00 36.81 ATOM 234 CA ARG 16 0.138 -17.887 8.377 1.00 11.15 ATOM 235 HA ARG 16 -0.324 -16.922 8.547 1.00 40.11 ATOM 236 CB ARG 16 -0.925 -18.841 7.809 1.00 44.13 ATOM 237 HB1 ARG 16 -1.374 -18.378 6.941 1.00 36.81 ATOM 238 HB2 ARG 16 -1.692 -18.994 8.556 1.00 74.02 ATOM 239 CG ARG 16 -0.382 -20.204 7.394 1.00 74.31 ATOM 240 HG1 ARG 16 -0.024 -20.720 8.273 1.00 36.81 ATOM 241 HG2 ARG 16 0.437 -20.060 6.703 1.00 24.05 ATOM 242 CD ARG 16 -1.454 -21.056 6.720 1.00 21.02 ATOM 243 HD1 ARG 16 -1.856 -20.506 5.879 1.00 36.81 ATOM 244 HD2 ARG 16 -2.244 -21.249 7.433 1.00 52.42 ATOM 245 NE ARG 16 -0.926 -22.334 6.244 1.00 14.34 ATOM 246 HE ARG 16 -0.050 -22.614 6.569 1.00 34.21 ATOM 247 CZ ARG 16 -1.560 -23.118 5.414 1.00 23.12 ATOM 248 NH1 ARG 16 -2.727 -22.788 4.964 1.00 64.31 ATOM 249 HH11 ARG 16 -3.144 -21.935 5.248 1.00 50.34 ATOM 250 HH12 ARG 16 -3.206 -23.394 4.329 1.00 4.23 ATOM 251 NH2 ARG 16 -1.032 -24.234 5.034 1.00 33.52 ATOM 252 HH21 ARG 16 -0.133 -24.506 5.369 1.00 12.25 ATOM 253 HH22 ARG 16 -1.532 -24.829 4.405 1.00 73.24 ATOM 254 C ARG 16 0.678 -18.404 9.724 1.00 52.10 ATOM 255 O ARG 16 0.164 -18.054 10.788 1.00 41.24 ATOM 256 N LEU 17 1.721 -19.233 9.669 1.00 41.42 ATOM 257 HN LEU 17 2.044 -19.533 8.792 1.00 36.81 ATOM 258 CA LEU 17 2.397 -19.715 10.881 1.00 52.55 ATOM 259 HA LEU 17 1.665 -20.236 11.483 1.00 1.31 ATOM 260 CB LEU 17 3.524 -20.695 10.504 1.00 31.42 ATOM 261 HB1 LEU 17 4.083 -20.264 9.686 1.00 36.81 ATOM 262 HB2 LEU 17 3.068 -21.612 10.156 1.00 73.23 ATOM 263 CG LEU 17 4.519 -21.046 11.632 1.00 31.20 ATOM 264 HG LEU 17 4.969 -20.132 11.994 1.00 31.45 ATOM 265 CD1 LEU 17 3.814 -21.708 12.812 1.00 1.01 ATOM 266 HD11 LEU 17 3.367 -22.638 12.493 1.00 71.43 ATOM 267 HD12 LEU 17 3.044 -21.049 13.188 1.00 34.34 ATOM 268 HD13 LEU 17 4.532 -21.901 13.595 1.00 13.55 ATOM 269 CD2 LEU 17 5.641 -21.939 11.108 1.00 35.24 ATOM 270 HD21 LEU 17 5.221 -22.847 10.700 1.00 1.22 ATOM 271 HD22 LEU 17 6.313 -22.185 11.918 1.00 60.12 ATOM 272 HD23 LEU 17 6.188 -21.416 10.336 1.00 11.32 ATOM 273 C LEU 17 2.971 -18.548 11.699 1.00 41.34 ATOM 274 O LEU 17 2.880 -18.528 12.926 1.00 50.22 ATOM 275 N ASP 18 3.544 -17.568 11.006 1.00 44.31 ATOM 276 HN ASP 18 3.521 -17.602 10.027 1.00 36.81 ATOM 277 CA ASP 18 4.202 -16.439 11.658 1.00 42.22 ATOM 278 HA ASP 18 4.974 -16.841 12.300 1.00 50.32 ATOM 279 CB ASP 18 4.861 -15.547 10.603 1.00 60.02 ATOM 280 HB1 ASP 18 4.097 -14.964 10.106 1.00 36.81 ATOM 281 HB2 ASP 18 5.361 -16.170 9.874 1.00 55.43 ATOM 282 CG ASP 18 5.881 -14.603 11.207 1.00 23.25 ATOM 283 OD1 ASP 18 6.827 -15.090 11.865 1.00 40.55 ATOM 284 OD2 ASP 18 5.761 -13.377 11.010 1.00 43.01 ATOM 285 C ASP 18 3.215 -15.635 12.522 1.00 55.15 ATOM 286 O ASP 18 3.587 -15.075 13.555 1.00 3.33 ATOM 287 N ILE 19 1.952 -15.599 12.100 1.00 31.14 ATOM 288 HN ILE 19 1.729 -16.017 11.241 1.00 36.81 ATOM 289 CA ILE 19 0.887 -14.954 12.880 1.00 61.34 ATOM 290 HA ILE 19 1.180 -13.930 13.073 1.00 70.34 ATOM 291 CB ILE 19 -0.450 -14.949 12.099 1.00 23.54 ATOM 292 HB ILE 19 -0.799 -15.971 12.026 1.00 21.25 ATOM 293 CG1 ILE 19 -0.249 -14.387 10.681 1.00 11.12 ATOM 294 HG11 ILE 19 0.583 -14.895 10.212 1.00 36.81 ATOM 295 HG12 ILE 19 -0.028 -13.332 10.745 1.00 22.05 ATOM 296 CG2 ILE 19 -1.510 -14.141 12.852 1.00 44.21 ATOM 297 HG21 ILE 19 -1.677 -14.583 13.823 1.00 73.50 ATOM 298 HG22 ILE 19 -2.434 -14.147 12.292 1.00 12.45 ATOM 299 HG23 ILE 19 -1.169 -13.123 12.974 1.00 35.05 ATOM 300 CD1 ILE 19 -1.459 -14.552 9.785 1.00 22.23 ATOM 301 HD11 ILE 19 -1.241 -14.149 8.808 1.00 65.21 ATOM 302 HD12 ILE 19 -2.299 -14.025 10.213 1.00 74.32 ATOM 303 HD13 ILE 19 -1.700 -15.603 9.696 1.00 42.45 ATOM 304 C ILE 19 0.679 -15.684 14.218 1.00 33.22 ATOM 305 O ILE 19 0.589 -15.062 15.283 1.00 5.51 ATOM 306 N LEU 20 0.601 -17.013 14.147 1.00 34.02 ATOM 307 HN LEU 20 0.607 -17.438 13.261 1.00 36.81 ATOM 308 CA LEU 20 0.506 -17.865 15.340 1.00 24.34 ATOM 309 HA LEU 20 -0.383 -17.576 15.886 1.00 45.13 ATOM 310 CB LEU 20 0.380 -19.336 14.918 1.00 35.43 ATOM 311 HB1 LEU 20 0.382 -19.947 15.810 1.00 36.81 ATOM 312 HB2 LEU 20 1.250 -19.592 14.328 1.00 52.01 ATOM 313 CG LEU 20 -0.879 -19.677 14.102 1.00 4.02 ATOM 314 HG LEU 20 -1.000 -18.942 13.319 1.00 3.13 ATOM 315 CD1 LEU 20 -0.743 -21.044 13.438 1.00 50.20 ATOM 316 HD11 LEU 20 0.116 -21.040 12.782 1.00 2.32 ATOM 317 HD12 LEU 20 -1.632 -21.252 12.860 1.00 42.40 ATOM 318 HD13 LEU 20 -0.617 -21.806 14.194 1.00 62.53 ATOM 319 CD2 LEU 20 -2.122 -19.631 14.989 1.00 44.44 ATOM 320 HD21 LEU 20 -2.025 -20.356 15.786 1.00 1.21 ATOM 321 HD22 LEU 20 -2.996 -19.861 14.399 1.00 10.41 ATOM 322 HD23 LEU 20 -2.227 -18.642 15.413 1.00 1.13 ATOM 323 C LEU 20 1.732 -17.676 16.245 1.00 52.33 ATOM 324 O LEU 20 1.616 -17.611 17.470 1.00 42.30 ATOM 325 N LYS 21 2.906 -17.585 15.626 1.00 32.15 ATOM 326 HN LYS 21 2.934 -17.706 14.653 1.00 36.81 ATOM 327 CA LYS 21 4.155 -17.320 16.346 1.00 31.21 ATOM 328 HA LYS 21 4.313 -18.132 17.043 1.00 32.13 ATOM 329 CB LYS 21 5.323 -17.285 15.352 1.00 32.12 ATOM 330 HB1 LYS 21 6.214 -16.953 15.869 1.00 36.81 ATOM 331 HB2 LYS 21 5.089 -16.576 14.570 1.00 3.25 ATOM 332 CG LYS 21 5.620 -18.638 14.704 1.00 25.21 ATOM 333 HG1 LYS 21 4.683 -19.113 14.445 1.00 36.81 ATOM 334 HG2 LYS 21 6.153 -19.257 15.412 1.00 53.02 ATOM 335 CD LYS 21 6.464 -18.489 13.439 1.00 5.42 ATOM 336 HD1 LYS 21 5.911 -17.901 12.720 1.00 36.81 ATOM 337 HD2 LYS 21 6.651 -19.471 13.027 1.00 22.12 ATOM 338 CE LYS 21 7.800 -17.810 13.707 1.00 34.05 ATOM 339 HE1 LYS 21 8.454 -18.512 14.205 1.00 36.81 ATOM 340 HE2 LYS 21 7.635 -16.957 14.347 1.00 12.02 ATOM 341 NZ LYS 21 8.446 -17.352 12.446 1.00 50.34 ATOM 342 HZ1 LYS 21 9.351 -16.886 12.654 1.00 42.23 ATOM 343 HZ2 LYS 21 7.828 -16.672 11.956 1.00 11.41 ATOM 344 HZ3 LYS 21 8.621 -18.161 11.815 1.00 10.22 ATOM 345 C LYS 21 4.078 -15.998 17.135 1.00 12.44 ATOM 346 O LYS 21 4.343 -15.969 18.335 1.00 71.24 ATOM 347 N ILE 22 3.685 -14.915 16.460 1.00 34.34 ATOM 348 HN ILE 22 3.480 -14.999 15.504 1.00 36.81 ATOM 349 CA ILE 22 3.553 -13.600 17.106 1.00 74.24 ATOM 350 HA ILE 22 4.543 -13.281 17.410 1.00 73.31 ATOM 351 CB ILE 22 2.990 -12.545 16.116 1.00 1.44 ATOM 352 HB ILE 22 2.059 -12.924 15.716 1.00 24.21 ATOM 353 CG1 ILE 22 3.979 -12.318 14.958 1.00 71.41 ATOM 354 HG11 ILE 22 4.188 -13.265 14.481 1.00 36.81 ATOM 355 HG12 ILE 22 4.898 -11.911 15.353 1.00 54.54 ATOM 356 CG2 ILE 22 2.692 -11.227 16.834 1.00 3.54 ATOM 357 HG21 ILE 22 3.601 -10.840 17.271 1.00 54.11 ATOM 358 HG22 ILE 22 1.962 -11.396 17.614 1.00 52.31 ATOM 359 HG23 ILE 22 2.300 -10.511 16.127 1.00 34.23 ATOM 360 CD1 ILE 22 3.475 -11.363 13.895 1.00 34.45 ATOM 361 HD11 ILE 22 2.553 -11.740 13.477 1.00 31.43 ATOM 362 HD12 ILE 22 4.214 -11.277 13.111 1.00 13.33 ATOM 363 HD13 ILE 22 3.303 -10.390 14.333 1.00 41.23 ATOM 364 C ILE 22 2.651 -13.660 18.356 1.00 53.02 ATOM 365 O ILE 22 3.037 -13.199 19.433 1.00 22.21 ATOM 366 N HIS 23 1.458 -14.239 18.209 1.00 64.34 ATOM 367 HN HIS 23 1.211 -14.603 17.331 1.00 36.81 ATOM 368 CA HIS 23 0.512 -14.355 19.331 1.00 33.20 ATOM 369 HA HIS 23 0.394 -13.367 19.758 1.00 61.44 ATOM 370 CB HIS 23 -0.860 -14.841 18.838 1.00 63.30 ATOM 371 HB1 HIS 23 -1.453 -15.162 19.684 1.00 36.81 ATOM 372 HB2 HIS 23 -0.721 -15.676 18.167 1.00 44.21 ATOM 373 CG HIS 23 -1.636 -13.790 18.107 1.00 50.00 ATOM 374 ND1 HIS 23 -2.460 -12.889 18.744 1.00 21.53 ATOM 375 HD1 HIS 23 -2.607 -12.833 19.719 1.00 12.11 ATOM 376 CD2 HIS 23 -1.719 -13.498 16.788 1.00 71.15 ATOM 377 HD2 HIS 23 -1.195 -14.000 15.987 1.00 63.43 ATOM 378 CE1 HIS 23 -3.015 -12.092 17.857 1.00 21.15 ATOM 379 HE1 HIS 23 -3.707 -11.290 18.073 1.00 31.43 ATOM 380 NE2 HIS 23 -2.583 -12.437 16.660 1.00 23.34 ATOM 381 HE2 HIS 23 -2.672 -11.880 15.859 1.00 36.81 ATOM 382 C HIS 23 1.041 -15.291 20.431 1.00 33.14 ATOM 383 O HIS 23 0.990 -14.959 21.615 1.00 11.20 ATOM 384 N SER 24 1.566 -16.448 20.035 1.00 72.03 ATOM 385 HN SER 24 1.627 -16.638 19.076 1.00 36.81 ATOM 386 CA SER 24 2.062 -17.449 20.994 1.00 12.01 ATOM 387 HA SER 24 1.225 -17.756 21.607 1.00 4.30 ATOM 388 CB SER 24 2.605 -18.677 20.257 1.00 70.12 ATOM 389 HB1 SER 24 1.835 -19.076 19.611 1.00 36.81 ATOM 390 HB2 SER 24 2.895 -19.428 20.975 1.00 20.43 ATOM 391 OG SER 24 3.733 -18.349 19.469 1.00 13.41 ATOM 392 HG SER 24 3.439 -17.980 18.630 1.00 63.44 ATOM 393 C SER 24 3.150 -16.873 21.914 1.00 53.24 ATOM 394 O SER 24 3.238 -17.238 23.086 1.00 73.02 ATOM 395 N ARG 25 3.976 -15.974 21.379 1.00 53.11 ATOM 396 HN ARG 25 3.917 -15.788 20.417 1.00 36.81 ATOM 397 CA ARG 25 4.994 -15.277 22.185 1.00 34.42 ATOM 398 HA ARG 25 5.644 -16.026 22.617 1.00 65.34 ATOM 399 CB ARG 25 5.827 -14.339 21.299 1.00 54.30 ATOM 400 HB1 ARG 25 6.555 -13.832 21.919 1.00 36.81 ATOM 401 HB2 ARG 25 5.169 -13.602 20.862 1.00 61.42 ATOM 402 CG ARG 25 6.571 -15.043 20.170 1.00 4.50 ATOM 403 HG1 ARG 25 5.863 -15.603 19.579 1.00 36.81 ATOM 404 HG2 ARG 25 7.297 -15.721 20.598 1.00 43.02 ATOM 405 CD ARG 25 7.295 -14.050 19.267 1.00 23.14 ATOM 406 HD1 ARG 25 8.067 -13.559 19.843 1.00 36.81 ATOM 407 HD2 ARG 25 6.584 -13.313 18.921 1.00 12.32 ATOM 408 NE ARG 25 7.904 -14.698 18.108 1.00 65.53 ATOM 409 HE ARG 25 7.567 -15.580 17.853 1.00 71.12 ATOM 410 CZ ARG 25 8.849 -14.165 17.381 1.00 21.40 ATOM 411 NH1 ARG 25 9.361 -13.018 17.702 1.00 70.20 ATOM 412 HH11 ARG 25 9.035 -12.536 18.509 1.00 24.44 ATOM 413 HH12 ARG 25 10.083 -12.623 17.137 1.00 13.33 ATOM 414 NH2 ARG 25 9.297 -14.795 16.344 1.00 52.45 ATOM 415 HH21 ARG 25 8.918 -15.687 16.104 1.00 43.35 ATOM 416 HH22 ARG 25 10.014 -14.386 15.786 1.00 52.40 ATOM 417 C ARG 25 4.348 -14.462 23.320 1.00 73.12 ATOM 418 O ARG 25 4.880 -14.385 24.433 1.00 63.14 ATOM 419 N LYS 26 3.201 -13.853 23.022 1.00 72.41 ATOM 420 HN LYS 26 2.844 -13.941 22.113 1.00 36.81 ATOM 421 CA LYS 26 2.454 -13.055 24.002 1.00 60.44 ATOM 422 HA LYS 26 3.170 -12.544 24.630 1.00 53.31 ATOM 423 CB LYS 26 1.599 -12.011 23.270 1.00 12.10 ATOM 424 HB1 LYS 26 1.091 -11.397 24.002 1.00 36.81 ATOM 425 HB2 LYS 26 0.861 -12.522 22.667 1.00 30.13 ATOM 426 CG LYS 26 2.414 -11.093 22.356 1.00 1.03 ATOM 427 HG1 LYS 26 2.931 -11.698 21.623 1.00 36.81 ATOM 428 HG2 LYS 26 3.137 -10.557 22.955 1.00 51.02 ATOM 429 CD LYS 26 1.531 -10.083 21.631 1.00 71.45 ATOM 430 HD1 LYS 26 1.036 -9.460 22.363 1.00 36.81 ATOM 431 HD2 LYS 26 0.790 -10.616 21.052 1.00 35.04 ATOM 432 CE LYS 26 2.340 -9.195 20.693 1.00 11.43 ATOM 433 HE1 LYS 26 2.808 -9.816 19.941 1.00 36.81 ATOM 434 HE2 LYS 26 3.102 -8.686 21.264 1.00 31.34 ATOM 435 NZ LYS 26 1.486 -8.183 20.021 1.00 50.34 ATOM 436 HZ1 LYS 26 2.044 -7.645 19.325 1.00 4.20 ATOM 437 HZ2 LYS 26 1.098 -7.518 20.720 1.00 51.31 ATOM 438 HZ3 LYS 26 0.700 -8.648 19.530 1.00 22.42 ATOM 439 C LYS 26 1.576 -13.954 24.892 1.00 71.04 ATOM 440 O LYS 26 1.133 -13.551 25.969 1.00 73.21 ATOM 441 N MET 27 1.328 -15.174 24.425 1.00 5.42 ATOM 442 HN MET 27 1.629 -15.401 23.521 1.00 36.81 ATOM 443 CA MET 27 0.610 -16.189 25.206 1.00 21.11 ATOM 444 HA MET 27 0.021 -15.681 25.959 1.00 34.31 ATOM 445 CB MET 27 -0.331 -16.977 24.280 1.00 64.13 ATOM 446 HB1 MET 27 -0.860 -17.718 24.865 1.00 36.81 ATOM 447 HB2 MET 27 0.258 -17.480 23.525 1.00 23.23 ATOM 448 CG MET 27 -1.359 -16.096 23.579 1.00 33.53 ATOM 449 HG1 MET 27 -0.839 -15.296 23.070 1.00 36.81 ATOM 450 HG2 MET 27 -2.019 -15.675 24.324 1.00 51.43 ATOM 451 SD MET 27 -2.354 -16.996 22.370 1.00 75.14 ATOM 452 CE MET 27 -3.142 -18.223 23.410 1.00 73.41 ATOM 453 HE1 MET 27 -2.387 -18.848 23.866 1.00 50.32 ATOM 454 HE2 MET 27 -3.801 -18.832 22.811 1.00 65.41 ATOM 455 HE3 MET 27 -3.713 -17.729 24.182 1.00 31.24 ATOM 456 C MET 27 1.601 -17.134 25.911 1.00 4.22 ATOM 457 O MET 27 2.812 -16.911 25.879 1.00 22.32 ATOM 458 N ASN 28 1.095 -18.172 26.569 1.00 40.14 ATOM 459 HN ASN 28 0.120 -18.286 26.612 1.00 36.81 ATOM 460 CA ASN 28 1.963 -19.142 27.252 1.00 64.50 ATOM 461 HA ASN 28 2.964 -18.733 27.285 1.00 33.21 ATOM 462 CB ASN 28 1.476 -19.375 28.684 1.00 42.33 ATOM 463 HB1 ASN 28 2.207 -19.973 29.211 1.00 36.81 ATOM 464 HB2 ASN 28 0.539 -19.911 28.654 1.00 5.42 ATOM 465 CG ASN 28 1.263 -18.089 29.458 1.00 31.04 ATOM 466 OD1 ASN 28 1.932 -17.085 29.234 1.00 34.42 ATOM 467 ND2 ASN 28 0.322 -18.109 30.377 1.00 35.13 ATOM 468 HD21 ASN 28 -0.183 -18.940 30.504 1.00 5.24 ATOM 469 HD22 ASN 28 0.171 -17.297 30.899 1.00 4.23 ATOM 470 C ASN 28 1.996 -20.483 26.503 1.00 30.34 ATOM 471 O ASN 28 0.981 -21.171 26.411 1.00 71.01 ATOM 472 N LEU 29 3.161 -20.859 25.980 1.00 53.43 ATOM 473 HN LEU 29 3.942 -20.274 26.083 1.00 36.81 ATOM 474 CA LEU 29 3.306 -22.126 25.244 1.00 74.22 ATOM 475 HA LEU 29 2.336 -22.383 24.840 1.00 21.00 ATOM 476 CB LEU 29 4.291 -21.959 24.079 1.00 52.35 ATOM 477 HB1 LEU 29 4.516 -22.939 23.682 1.00 36.81 ATOM 478 HB2 LEU 29 5.205 -21.531 24.468 1.00 30.14 ATOM 479 CG LEU 29 3.800 -21.076 22.922 1.00 35.24 ATOM 480 HG LEU 29 3.612 -20.079 23.293 1.00 31.44 ATOM 481 CD1 LEU 29 4.868 -20.975 21.832 1.00 22.42 ATOM 482 HD11 LEU 29 5.769 -20.551 22.248 1.00 72.12 ATOM 483 HD12 LEU 29 4.510 -20.342 21.033 1.00 63.43 ATOM 484 HD13 LEU 29 5.081 -21.960 21.440 1.00 72.01 ATOM 485 CD2 LEU 29 2.489 -21.622 22.355 1.00 23.11 ATOM 486 HD21 LEU 29 2.638 -22.634 22.006 1.00 52.11 ATOM 487 HD22 LEU 29 2.167 -21.003 21.532 1.00 53.24 ATOM 488 HD23 LEU 29 1.733 -21.615 23.126 1.00 74.24 ATOM 489 C LEU 29 3.772 -23.277 26.148 1.00 1.33 ATOM 490 O LEU 29 4.493 -23.068 27.126 1.00 53.24 ATOM 491 N THR 30 3.344 -24.494 25.810 1.00 1.25 ATOM 492 HN THR 30 2.710 -24.582 25.064 1.00 36.81 ATOM 493 CA THR 30 3.780 -25.707 26.520 1.00 4.13 ATOM 494 HA THR 30 3.898 -25.460 27.567 1.00 35.40 ATOM 495 CB THR 30 2.720 -26.835 26.400 1.00 0.24 ATOM 496 HB THR 30 1.763 -26.442 26.716 1.00 4.31 ATOM 497 OG1 THR 30 3.068 -27.946 27.246 1.00 10.42 ATOM 498 HG1 THR 30 2.307 -28.177 27.800 1.00 74.10 ATOM 499 CG2 THR 30 2.591 -27.314 24.957 1.00 32.34 ATOM 500 HG21 THR 30 3.534 -27.728 24.627 1.00 20.01 ATOM 501 HG22 THR 30 2.324 -26.481 24.323 1.00 54.13 ATOM 502 HG23 THR 30 1.824 -28.073 24.894 1.00 15.44 ATOM 503 C THR 30 5.129 -26.217 25.975 1.00 2.23 ATOM 504 O THR 30 5.738 -25.586 25.105 1.00 23.44 ATOM 505 N ARG 31 5.593 -27.356 26.483 1.00 64.34 ATOM 506 HN ARG 31 5.072 -27.815 27.175 1.00 36.81 ATOM 507 CA ARG 31 6.857 -27.950 26.032 1.00 64.10 ATOM 508 HA ARG 31 7.529 -27.141 25.775 1.00 63.12 ATOM 509 CB ARG 31 7.487 -28.774 27.163 1.00 61.34 ATOM 510 HB1 ARG 31 8.339 -29.314 26.771 1.00 36.81 ATOM 511 HB2 ARG 31 6.757 -29.486 27.522 1.00 33.22 ATOM 512 CG ARG 31 7.958 -27.935 28.348 1.00 12.15 ATOM 513 HG1 ARG 31 8.314 -28.597 29.126 1.00 36.81 ATOM 514 HG2 ARG 31 7.126 -27.354 28.722 1.00 31.12 ATOM 515 CD ARG 31 9.085 -26.987 27.953 1.00 21.24 ATOM 516 HD1 ARG 31 8.734 -26.340 27.160 1.00 36.81 ATOM 517 HD2 ARG 31 9.921 -27.571 27.592 1.00 74.20 ATOM 518 NE ARG 31 9.529 -26.161 29.073 1.00 4.04 ATOM 519 HE ARG 31 9.040 -25.332 29.244 1.00 15.22 ATOM 520 CZ ARG 31 10.544 -26.448 29.840 1.00 35.03 ATOM 521 NH1 ARG 31 11.219 -27.537 29.660 1.00 15.24 ATOM 522 HH11 ARG 31 10.966 -28.166 28.929 1.00 22.42 ATOM 523 HH12 ARG 31 11.994 -27.744 30.255 1.00 13.24 ATOM 524 NH2 ARG 31 10.886 -25.645 30.791 1.00 55.54 ATOM 525 HH21 ARG 31 10.376 -24.801 30.939 1.00 2.41 ATOM 526 HH22 ARG 31 11.660 -25.876 31.377 1.00 4.23 ATOM 527 C ARG 31 6.655 -28.832 24.790 1.00 73.01 ATOM 528 O ARG 31 5.852 -29.771 24.803 1.00 31.02 ATOM 529 N GLY 32 7.396 -28.529 23.726 1.00 72.24 ATOM 530 HN GLY 32 8.024 -27.776 23.781 1.00 36.81 ATOM 531 CA GLY 32 7.293 -29.292 22.487 1.00 54.23 ATOM 532 HA1 GLY 32 7.446 -30.338 22.706 1.00 36.81 ATOM 533 HA2 GLY 32 8.070 -28.962 21.814 1.00 25.33 ATOM 534 C GLY 32 5.946 -29.126 21.795 1.00 35.13 ATOM 535 O GLY 32 5.187 -30.086 21.651 1.00 45.44 ATOM 536 N ILE 33 5.648 -27.907 21.360 1.00 33.31 ATOM 537 HN ILE 33 6.301 -27.185 21.480 1.00 36.81 ATOM 538 CA ILE 33 4.368 -27.612 20.706 1.00 63.53 ATOM 539 HA ILE 33 3.733 -28.484 20.817 1.00 51.25 ATOM 540 CB ILE 33 3.658 -26.414 21.399 1.00 64.14 ATOM 541 HB ILE 33 3.530 -26.668 22.442 1.00 4.12 ATOM 542 CG1 ILE 33 2.271 -26.176 20.779 1.00 13.53 ATOM 543 HG11 ILE 33 1.685 -27.081 20.872 1.00 36.81 ATOM 544 HG12 ILE 33 2.384 -25.933 19.732 1.00 34.13 ATOM 545 CG2 ILE 33 4.514 -25.146 21.336 1.00 45.02 ATOM 546 HG21 ILE 33 4.017 -24.347 21.869 1.00 42.11 ATOM 547 HG22 ILE 33 4.656 -24.854 20.305 1.00 11.40 ATOM 548 HG23 ILE 33 5.475 -25.336 21.791 1.00 5.24 ATOM 549 CD1 ILE 33 1.490 -25.052 21.431 1.00 60.33 ATOM 550 HD11 ILE 33 2.049 -24.131 21.359 1.00 21.44 ATOM 551 HD12 ILE 33 1.317 -25.289 22.471 1.00 53.05 ATOM 552 HD13 ILE 33 0.541 -24.936 20.928 1.00 54.34 ATOM 553 C ILE 33 4.554 -27.334 19.199 1.00 45.21 ATOM 554 O ILE 33 5.267 -26.407 18.802 1.00 71.14 ATOM 555 N ASN 34 3.921 -28.156 18.358 1.00 31.52 ATOM 556 HN ASN 34 3.364 -28.874 18.726 1.00 36.81 ATOM 557 CA ASN 34 4.045 -28.020 16.899 1.00 31.13 ATOM 558 HA ASN 34 5.012 -27.579 16.693 1.00 35.20 ATOM 559 CB ASN 34 3.990 -29.404 16.232 1.00 45.55 ATOM 560 HB1 ASN 34 3.036 -29.864 16.454 1.00 36.81 ATOM 561 HB2 ASN 34 4.779 -30.023 16.633 1.00 1.43 ATOM 562 CG ASN 34 4.157 -29.346 14.722 1.00 72.11 ATOM 563 OD1 ASN 34 4.726 -28.406 14.176 1.00 24.12 ATOM 564 ND2 ASN 34 3.678 -30.360 14.031 1.00 35.34 ATOM 565 HD21 ASN 34 3.246 -31.094 14.520 1.00 13.20 ATOM 566 HD22 ASN 34 3.772 -30.338 13.057 1.00 55.24 ATOM 567 C ASN 34 2.958 -27.092 16.326 1.00 44.14 ATOM 568 O ASN 34 1.837 -27.522 16.037 1.00 24.24 ATOM 569 N LEU 35 3.302 -25.812 16.170 1.00 3.52 ATOM 570 HN LEU 35 4.209 -25.534 16.422 1.00 36.81 ATOM 571 CA LEU 35 2.373 -24.805 15.639 1.00 50.30 ATOM 572 HA LEU 35 1.405 -24.982 16.085 1.00 40.24 ATOM 573 CB LEU 35 2.841 -23.391 16.024 1.00 10.41 ATOM 574 HB1 LEU 35 2.169 -22.675 15.569 1.00 36.81 ATOM 575 HB2 LEU 35 3.830 -23.239 15.612 1.00 42.44 ATOM 576 CG LEU 35 2.898 -23.099 17.534 1.00 10.23 ATOM 577 HG LEU 35 3.574 -23.800 18.005 1.00 64.04 ATOM 578 CD1 LEU 35 3.434 -21.691 17.790 1.00 23.35 ATOM 579 HD11 LEU 35 3.475 -21.508 18.853 1.00 54.33 ATOM 580 HD12 LEU 35 2.782 -20.965 17.324 1.00 63.33 ATOM 581 HD13 LEU 35 4.427 -21.603 17.372 1.00 53.44 ATOM 582 CD2 LEU 35 1.518 -23.275 18.170 1.00 53.10 ATOM 583 HD21 LEU 35 1.183 -24.293 18.030 1.00 24.32 ATOM 584 HD22 LEU 35 0.816 -22.599 17.704 1.00 51.32 ATOM 585 HD23 LEU 35 1.577 -23.059 19.227 1.00 11.34 ATOM 586 C LEU 35 2.233 -24.909 14.112 1.00 33.33 ATOM 587 O LEU 35 1.186 -24.575 13.554 1.00 14.21 ATOM 588 N ARG 36 3.288 -25.371 13.438 1.00 52.44 ATOM 589 HN ARG 36 4.108 -25.595 13.930 1.00 36.81 ATOM 590 CA ARG 36 3.254 -25.535 11.978 1.00 71.20 ATOM 591 HA ARG 36 3.118 -24.554 11.543 1.00 2.25 ATOM 592 CB ARG 36 4.572 -26.129 11.457 1.00 3.25 ATOM 593 HB1 ARG 36 4.726 -27.094 11.918 1.00 36.81 ATOM 594 HB2 ARG 36 5.387 -25.473 11.733 1.00 32.23 ATOM 595 CG ARG 36 4.591 -26.311 9.939 1.00 22.15 ATOM 596 HG1 ARG 36 4.480 -25.342 9.471 1.00 36.81 ATOM 597 HG2 ARG 36 3.762 -26.942 9.655 1.00 2.04 ATOM 598 CD ARG 36 5.881 -26.955 9.443 1.00 51.12 ATOM 599 HD1 ARG 36 5.991 -27.920 9.912 1.00 36.81 ATOM 600 HD2 ARG 36 6.716 -26.324 9.715 1.00 1.54 ATOM 601 NE ARG 36 5.867 -27.125 7.994 1.00 24.41 ATOM 602 HE ARG 36 5.507 -26.392 7.460 1.00 42.20 ATOM 603 CZ ARG 36 6.293 -28.184 7.365 1.00 1.45 ATOM 604 NH1 ARG 36 6.801 -29.183 8.011 1.00 51.21 ATOM 605 HH11 ARG 36 6.876 -29.147 9.005 1.00 3.31 ATOM 606 HH12 ARG 36 7.118 -29.985 7.513 1.00 21.12 ATOM 607 NH2 ARG 36 6.195 -28.241 6.079 1.00 3.23 ATOM 608 HH21 ARG 36 5.795 -27.471 5.578 1.00 43.43 ATOM 609 HH22 ARG 36 6.516 -29.048 5.590 1.00 13.30 ATOM 610 C ARG 36 2.082 -26.429 11.545 1.00 34.53 ATOM 611 O ARG 36 1.317 -26.072 10.653 1.00 11.42 ATOM 612 N LYS 37 1.948 -27.588 12.194 1.00 52.01 ATOM 613 HN LYS 37 2.613 -27.830 12.875 1.00 36.81 ATOM 614 CA LYS 37 0.847 -28.524 11.912 1.00 23.34 ATOM 615 HA LYS 37 0.974 -28.881 10.901 1.00 24.04 ATOM 616 CB LYS 37 0.937 -29.721 12.876 1.00 53.53 ATOM 617 HB1 LYS 37 0.821 -29.360 13.889 1.00 36.81 ATOM 618 HB2 LYS 37 1.921 -30.157 12.781 1.00 54.25 ATOM 619 CG LYS 37 -0.089 -30.833 12.652 1.00 44.10 ATOM 620 HG1 LYS 37 0.347 -31.774 12.962 1.00 36.81 ATOM 621 HG2 LYS 37 -0.327 -30.881 11.598 1.00 12.25 ATOM 622 CD LYS 37 -1.381 -30.601 13.438 1.00 34.32 ATOM 623 HD1 LYS 37 -1.946 -29.811 12.960 1.00 36.81 ATOM 624 HD2 LYS 37 -1.132 -30.307 14.448 1.00 63.54 ATOM 625 CE LYS 37 -2.234 -31.861 13.486 1.00 21.53 ATOM 626 HE1 LYS 37 -1.646 -32.658 13.916 1.00 36.81 ATOM 627 HE2 LYS 37 -2.516 -32.127 12.479 1.00 71.33 ATOM 628 NZ LYS 37 -3.468 -31.679 14.298 1.00 51.12 ATOM 629 HZ1 LYS 37 -4.053 -30.922 13.899 1.00 72.54 ATOM 630 HZ2 LYS 37 -3.224 -31.435 15.280 1.00 10.24 ATOM 631 HZ3 LYS 37 -4.023 -32.560 14.305 1.00 13.11 ATOM 632 C LYS 37 -0.519 -27.826 12.018 1.00 72.12 ATOM 633 O LYS 37 -1.446 -28.132 11.271 1.00 12.51 ATOM 634 N ILE 38 -0.624 -26.883 12.949 1.00 64.45 ATOM 635 HN ILE 38 0.140 -26.713 13.536 1.00 36.81 ATOM 636 CA ILE 38 -1.840 -26.087 13.117 1.00 13.32 ATOM 637 HA ILE 38 -2.667 -26.766 13.273 1.00 74.02 ATOM 638 CB ILE 38 -1.725 -25.160 14.353 1.00 51.35 ATOM 639 HB ILE 38 -0.905 -24.475 14.182 1.00 2.11 ATOM 640 CG1 ILE 38 -1.422 -25.987 15.613 1.00 22.41 ATOM 641 HG11 ILE 38 -1.391 -25.328 16.469 1.00 36.81 ATOM 642 HG12 ILE 38 -0.458 -26.465 15.502 1.00 30.43 ATOM 643 CG2 ILE 38 -2.995 -24.332 14.536 1.00 11.44 ATOM 644 HG21 ILE 38 -3.841 -24.992 14.668 1.00 33.03 ATOM 645 HG22 ILE 38 -3.154 -23.715 13.663 1.00 12.23 ATOM 646 HG23 ILE 38 -2.893 -23.701 15.407 1.00 40.34 ATOM 647 CD1 ILE 38 -2.444 -27.068 15.897 1.00 50.42 ATOM 648 HD11 ILE 38 -3.421 -26.619 16.006 1.00 10.42 ATOM 649 HD12 ILE 38 -2.181 -27.579 16.811 1.00 34.32 ATOM 650 HD13 ILE 38 -2.462 -27.775 15.081 1.00 54.43 ATOM 651 C ILE 38 -2.115 -25.236 11.868 1.00 44.32 ATOM 652 O ILE 38 -3.229 -25.222 11.341 1.00 13.31 ATOM 653 N ALA 39 -1.082 -24.536 11.401 1.00 53.44 ATOM 654 HN ALA 39 -0.233 -24.563 11.891 1.00 36.81 ATOM 655 CA ALA 39 -1.174 -23.727 10.183 1.00 52.35 ATOM 656 HA ALA 39 -1.955 -22.994 10.332 1.00 63.31 ATOM 657 CB ALA 39 0.137 -22.981 9.946 1.00 53.53 ATOM 658 HB1 ALA 39 0.941 -23.691 9.810 1.00 3.21 ATOM 659 HB2 ALA 39 0.354 -22.351 10.797 1.00 74.13 ATOM 660 HB3 ALA 39 0.048 -22.368 9.060 1.00 12.13 ATOM 661 C ALA 39 -1.529 -24.589 8.962 1.00 13.11 ATOM 662 O ALA 39 -2.307 -24.173 8.102 1.00 21.22 ATOM 663 N GLU 40 -0.962 -25.795 8.900 1.00 75.55 ATOM 664 HN GLU 40 -0.348 -26.066 9.617 1.00 36.81 ATOM 665 CA GLU 40 -1.222 -26.730 7.795 1.00 31.32 ATOM 666 HA GLU 40 -0.876 -26.262 6.883 1.00 5.33 ATOM 667 CB GLU 40 -0.445 -28.042 8.001 1.00 34.15 ATOM 668 HB1 GLU 40 -0.708 -28.728 7.207 1.00 36.81 ATOM 669 HB2 GLU 40 -0.744 -28.476 8.946 1.00 32.54 ATOM 670 CG GLU 40 1.074 -27.886 8.012 1.00 3.45 ATOM 671 HG1 GLU 40 1.363 -27.355 8.908 1.00 36.81 ATOM 672 HG2 GLU 40 1.374 -27.312 7.145 1.00 24.15 ATOM 673 CD GLU 40 1.794 -29.227 7.982 1.00 52.22 ATOM 674 OE1 GLU 40 2.407 -29.620 9.003 1.00 41.21 ATOM 675 OE2 GLU 40 1.731 -29.910 6.936 1.00 45.21 ATOM 676 C GLU 40 -2.724 -27.044 7.645 1.00 42.54 ATOM 677 O GLU 40 -3.198 -27.345 6.548 1.00 4.43 ATOM 678 N LEU 41 -3.467 -26.952 8.746 1.00 22.50 ATOM 679 HN LEU 41 -3.046 -26.639 9.575 1.00 36.81 ATOM 680 CA LEU 41 -4.897 -27.298 8.762 1.00 75.34 ATOM 681 HA LEU 41 -5.042 -28.147 8.109 1.00 54.34 ATOM 682 CB LEU 41 -5.315 -27.698 10.185 1.00 10.51 ATOM 683 HB1 LEU 41 -6.372 -27.931 10.176 1.00 36.81 ATOM 684 HB2 LEU 41 -5.159 -26.846 10.834 1.00 62.41 ATOM 685 CG LEU 41 -4.565 -28.899 10.779 1.00 35.01 ATOM 686 HG LEU 41 -3.506 -28.678 10.795 1.00 74.31 ATOM 687 CD1 LEU 41 -5.008 -29.149 12.217 1.00 52.04 ATOM 688 HD11 LEU 41 -4.798 -28.274 12.815 1.00 24.43 ATOM 689 HD12 LEU 41 -4.470 -29.995 12.618 1.00 65.20 ATOM 690 HD13 LEU 41 -6.069 -29.354 12.239 1.00 23.45 ATOM 691 CD2 LEU 41 -4.772 -30.148 9.925 1.00 12.42 ATOM 692 HD21 LEU 41 -4.230 -30.975 10.360 1.00 54.34 ATOM 693 HD22 LEU 41 -4.405 -29.967 8.925 1.00 11.24 ATOM 694 HD23 LEU 41 -5.825 -30.391 9.883 1.00 0.15 ATOM 695 C LEU 41 -5.791 -26.145 8.267 1.00 34.31 ATOM 696 O LEU 41 -7.010 -26.186 8.440 1.00 70.21 ATOM 697 N MET 42 -5.193 -25.123 7.652 1.00 21.31 ATOM 698 HN MET 42 -4.220 -25.140 7.539 1.00 36.81 ATOM 699 CA MET 42 -5.956 -23.970 7.151 1.00 3.22 ATOM 700 HA MET 42 -6.931 -23.990 7.621 1.00 70.51 ATOM 701 CB MET 42 -5.259 -22.663 7.544 1.00 12.24 ATOM 702 HB1 MET 42 -5.771 -21.836 7.071 1.00 36.81 ATOM 703 HB2 MET 42 -4.238 -22.690 7.190 1.00 54.53 ATOM 704 CG MET 42 -5.234 -22.410 9.043 1.00 14.33 ATOM 705 HG1 MET 42 -4.690 -23.210 9.523 1.00 36.81 ATOM 706 HG2 MET 42 -6.252 -22.396 9.410 1.00 41.51 ATOM 707 SD MET 42 -4.445 -20.844 9.462 1.00 31.15 ATOM 708 CE MET 42 -4.763 -20.775 11.223 1.00 24.34 ATOM 709 HE1 MET 42 -4.325 -21.637 11.705 1.00 61.05 ATOM 710 HE2 MET 42 -5.832 -20.769 11.395 1.00 22.24 ATOM 711 HE3 MET 42 -4.330 -19.874 11.632 1.00 74.22 ATOM 712 C MET 42 -6.155 -24.009 5.624 1.00 4.54 ATOM 713 O MET 42 -5.289 -23.565 4.863 1.00 41.11 ATOM 714 N PRO 43 -7.304 -24.535 5.151 1.00 52.05 ATOM 715 CA PRO 43 -7.644 -24.524 3.722 1.00 5.50 ATOM 716 HA PRO 43 -6.799 -24.821 3.114 1.00 70.30 ATOM 717 CB PRO 43 -8.749 -25.584 3.624 1.00 1.21 ATOM 718 HB1 PRO 43 -8.307 -26.553 3.436 1.00 36.81 ATOM 719 HB2 PRO 43 -9.430 -25.332 2.822 1.00 54.32 ATOM 720 CG PRO 43 -9.424 -25.541 4.955 1.00 23.24 ATOM 721 HG1 PRO 43 -9.858 -26.505 5.179 1.00 36.81 ATOM 722 HG2 PRO 43 -10.191 -24.778 4.955 1.00 22.23 ATOM 723 CD PRO 43 -8.349 -25.204 5.960 1.00 12.15 ATOM 724 HD1 PRO 43 -7.964 -26.106 6.416 1.00 36.81 ATOM 725 HD2 PRO 43 -8.735 -24.537 6.719 1.00 2.31 ATOM 726 C PRO 43 -8.153 -23.148 3.249 1.00 63.22 ATOM 727 O PRO 43 -9.351 -22.860 3.301 1.00 54.41 ATOM 728 N GLY 44 -7.229 -22.292 2.812 1.00 53.13 ATOM 729 HN GLY 44 -6.287 -22.568 2.809 1.00 36.81 ATOM 730 CA GLY 44 -7.594 -20.961 2.326 1.00 25.41 ATOM 731 HA1 GLY 44 -8.359 -21.067 1.570 1.00 36.81 ATOM 732 HA2 GLY 44 -6.724 -20.512 1.872 1.00 63.44 ATOM 733 C GLY 44 -8.107 -20.023 3.417 1.00 71.01 ATOM 734 O GLY 44 -9.174 -19.418 3.276 1.00 63.13 ATOM 735 N ALA 45 -7.347 -19.899 4.503 1.00 61.00 ATOM 736 HN ALA 45 -6.524 -20.423 4.564 1.00 36.81 ATOM 737 CA ALA 45 -7.710 -19.002 5.610 1.00 31.42 ATOM 738 HA ALA 45 -8.789 -18.947 5.655 1.00 61.32 ATOM 739 CB ALA 45 -7.212 -19.577 6.936 1.00 62.15 ATOM 740 HB1 ALA 45 -6.132 -19.631 6.926 1.00 44.35 ATOM 741 HB2 ALA 45 -7.618 -20.568 7.075 1.00 12.40 ATOM 742 HB3 ALA 45 -7.531 -18.941 7.750 1.00 63.44 ATOM 743 C ALA 45 -7.154 -17.583 5.400 1.00 64.30 ATOM 744 O ALA 45 -6.494 -17.300 4.400 1.00 63.55 ATOM 745 N SER 46 -7.434 -16.694 6.350 1.00 53.45 ATOM 746 HN SER 46 -7.994 -16.972 7.103 1.00 36.81 ATOM 747 CA SER 46 -6.931 -15.310 6.310 1.00 45.22 ATOM 748 HA SER 46 -6.118 -15.270 5.597 1.00 1.13 ATOM 749 CB SER 46 -8.040 -14.345 5.861 1.00 3.24 ATOM 750 HB1 SER 46 -8.878 -14.423 6.540 1.00 36.81 ATOM 751 HB2 SER 46 -8.363 -14.608 4.864 1.00 55.24 ATOM 752 OG SER 46 -7.587 -12.996 5.851 1.00 34.31 ATOM 753 HG SER 46 -7.924 -12.552 5.058 1.00 60.02 ATOM 754 C SER 46 -6.398 -14.884 7.685 1.00 73.34 ATOM 755 O SER 46 -6.703 -15.517 8.696 1.00 33.01 ATOM 756 N GLY 47 -5.617 -13.801 7.720 1.00 21.34 ATOM 757 HN GLY 47 -5.432 -13.321 6.884 1.00 36.81 ATOM 758 CA GLY 47 -5.033 -13.321 8.977 1.00 12.21 ATOM 759 HA1 GLY 47 -4.559 -12.367 8.795 1.00 36.81 ATOM 760 HA2 GLY 47 -4.280 -14.024 9.300 1.00 44.42 ATOM 761 C GLY 47 -6.058 -13.153 10.096 1.00 61.35 ATOM 762 O GLY 47 -5.790 -13.490 11.254 1.00 63.02 ATOM 763 N ALA 48 -7.236 -12.638 9.747 1.00 71.15 ATOM 764 HN ALA 48 -7.367 -12.340 8.822 1.00 36.81 ATOM 765 CA ALA 48 -8.337 -12.489 10.706 1.00 20.02 ATOM 766 HA ALA 48 -7.993 -11.865 11.521 1.00 51.53 ATOM 767 CB ALA 48 -9.514 -11.794 10.040 1.00 63.22 ATOM 768 HB1 ALA 48 -9.205 -10.822 9.683 1.00 33.45 ATOM 769 HB2 ALA 48 -10.317 -11.677 10.753 1.00 72.23 ATOM 770 HB3 ALA 48 -9.859 -12.389 9.205 1.00 40.03 ATOM 771 C ALA 48 -8.780 -13.848 11.269 1.00 74.32 ATOM 772 O ALA 48 -9.036 -13.990 12.466 1.00 62.44 ATOM 773 N GLU 49 -8.861 -14.845 10.392 1.00 51.43 ATOM 774 HN GLU 49 -8.643 -14.669 9.455 1.00 36.81 ATOM 775 CA GLU 49 -9.263 -16.197 10.787 1.00 32.12 ATOM 776 HA GLU 49 -10.208 -16.125 11.310 1.00 34.20 ATOM 777 CB GLU 49 -9.440 -17.080 9.541 1.00 23.20 ATOM 778 HB1 GLU 49 -9.971 -17.977 9.826 1.00 36.81 ATOM 779 HB2 GLU 49 -8.463 -17.356 9.167 1.00 42.15 ATOM 780 CG GLU 49 -10.211 -16.410 8.403 1.00 4.25 ATOM 781 HG1 GLU 49 -10.319 -17.121 7.595 1.00 36.81 ATOM 782 HG2 GLU 49 -9.640 -15.562 8.050 1.00 41.20 ATOM 783 CD GLU 49 -11.595 -15.927 8.812 1.00 73.44 ATOM 784 OE1 GLU 49 -12.542 -16.741 8.792 1.00 21.20 ATOM 785 OE2 GLU 49 -11.746 -14.729 9.144 1.00 22.21 ATOM 786 C GLU 49 -8.219 -16.815 11.729 1.00 41.23 ATOM 787 O GLU 49 -8.557 -17.486 12.706 1.00 72.23 ATOM 788 N VAL 50 -6.944 -16.567 11.431 1.00 10.15 ATOM 789 HN VAL 50 -6.740 -16.060 10.616 1.00 36.81 ATOM 790 CA VAL 50 -5.840 -17.030 12.277 1.00 61.21 ATOM 791 HA VAL 50 -5.923 -18.105 12.375 1.00 72.23 ATOM 792 CB VAL 50 -4.467 -16.702 11.637 1.00 45.44 ATOM 793 HB VAL 50 -4.359 -15.625 11.605 1.00 52.52 ATOM 794 CG1 VAL 50 -3.323 -17.268 12.476 1.00 32.35 ATOM 795 HG11 VAL 50 -3.425 -18.342 12.551 1.00 23.12 ATOM 796 HG12 VAL 50 -3.353 -16.836 13.466 1.00 33.34 ATOM 797 HG13 VAL 50 -2.378 -17.029 12.009 1.00 63.13 ATOM 798 CG2 VAL 50 -4.395 -17.228 10.202 1.00 4.12 ATOM 799 HG21 VAL 50 -5.184 -16.780 9.613 1.00 73.02 ATOM 800 HG22 VAL 50 -4.513 -18.301 10.202 1.00 1.43 ATOM 801 HG23 VAL 50 -3.437 -16.972 9.773 1.00 51.35 ATOM 802 C VAL 50 -5.920 -16.394 13.677 1.00 51.53 ATOM 803 O VAL 50 -5.617 -17.035 14.689 1.00 64.01 ATOM 804 N LYS 51 -6.337 -15.127 13.727 1.00 2.51 ATOM 805 HN LYS 51 -6.486 -14.641 12.887 1.00 36.81 ATOM 806 CA LYS 51 -6.574 -14.442 15.003 1.00 5.44 ATOM 807 HA LYS 51 -5.662 -14.494 15.585 1.00 75.23 ATOM 808 CB LYS 51 -6.942 -12.961 14.766 1.00 63.14 ATOM 809 HB1 LYS 51 -8.014 -12.883 14.634 1.00 36.81 ATOM 810 HB2 LYS 51 -6.459 -12.627 13.858 1.00 1.30 ATOM 811 CG LYS 51 -6.528 -12.010 15.897 1.00 25.23 ATOM 812 HG1 LYS 51 -6.685 -10.992 15.565 1.00 36.81 ATOM 813 HG2 LYS 51 -5.476 -12.155 16.098 1.00 33.33 ATOM 814 CD LYS 51 -7.307 -12.229 17.203 1.00 60.32 ATOM 815 HD1 LYS 51 -6.739 -11.798 18.017 1.00 36.81 ATOM 816 HD2 LYS 51 -7.416 -13.289 17.371 1.00 52.25 ATOM 817 CE LYS 51 -8.698 -11.590 17.183 1.00 53.14 ATOM 818 HE1 LYS 51 -8.592 -10.541 16.945 1.00 36.81 ATOM 819 HE2 LYS 51 -9.136 -11.686 18.166 1.00 2.10 ATOM 820 NZ LYS 51 -9.617 -12.216 16.194 1.00 23.41 ATOM 821 HZ1 LYS 51 -9.223 -12.139 15.235 1.00 62.10 ATOM 822 HZ2 LYS 51 -10.541 -11.734 16.212 1.00 4.32 ATOM 823 HZ3 LYS 51 -9.766 -13.219 16.421 1.00 42.45 ATOM 824 C LYS 51 -7.697 -15.162 15.765 1.00 21.32 ATOM 825 O LYS 51 -7.623 -15.347 16.982 1.00 30.10 ATOM 826 N GLY 52 -8.736 -15.564 15.031 1.00 14.04 ATOM 827 HN GLY 52 -8.774 -15.315 14.082 1.00 36.81 ATOM 828 CA GLY 52 -9.814 -16.360 15.612 1.00 64.15 ATOM 829 HA1 GLY 52 -10.527 -16.598 14.837 1.00 36.81 ATOM 830 HA2 GLY 52 -10.308 -15.776 16.373 1.00 71.13 ATOM 831 C GLY 52 -9.313 -17.658 16.235 1.00 42.15 ATOM 832 O GLY 52 -9.726 -18.026 17.333 1.00 11.10 ATOM 833 N VAL 53 -8.413 -18.347 15.532 1.00 34.24 ATOM 834 HN VAL 53 -8.178 -18.038 14.629 1.00 36.81 ATOM 835 CA VAL 53 -7.777 -19.562 16.056 1.00 50.03 ATOM 836 HA VAL 53 -8.550 -20.306 16.203 1.00 14.31 ATOM 837 CB VAL 53 -6.743 -20.126 15.048 1.00 13.14 ATOM 838 HB VAL 53 -6.007 -19.355 14.853 1.00 40.40 ATOM 839 CG1 VAL 53 -6.015 -21.341 15.624 1.00 44.44 ATOM 840 HG11 VAL 53 -5.503 -21.058 16.533 1.00 42.40 ATOM 841 HG12 VAL 53 -5.294 -21.704 14.907 1.00 14.33 ATOM 842 HG13 VAL 53 -6.730 -22.123 15.843 1.00 50.00 ATOM 843 CG2 VAL 53 -7.422 -20.476 13.725 1.00 21.11 ATOM 844 HG21 VAL 53 -6.690 -20.867 13.035 1.00 33.44 ATOM 845 HG22 VAL 53 -7.874 -19.589 13.305 1.00 4.12 ATOM 846 HG23 VAL 53 -8.187 -21.221 13.897 1.00 24.22 ATOM 847 C VAL 53 -7.085 -19.291 17.402 1.00 44.12 ATOM 848 O VAL 53 -7.256 -20.039 18.364 1.00 5.33 ATOM 849 N CYS 54 -6.311 -18.209 17.460 1.00 64.42 ATOM 850 HN CYS 54 -6.180 -17.675 16.648 1.00 36.81 ATOM 851 CA CYS 54 -5.646 -17.798 18.703 1.00 43.44 ATOM 852 HA CYS 54 -5.028 -18.619 19.040 1.00 54.33 ATOM 853 CB CYS 54 -4.755 -16.572 18.446 1.00 41.05 ATOM 854 HB1 CYS 54 -4.228 -16.320 19.356 1.00 36.81 ATOM 855 HB2 CYS 54 -5.377 -15.738 18.155 1.00 31.03 ATOM 856 SG CYS 54 -3.518 -16.808 17.144 1.00 13.33 ATOM 857 HG CYS 54 -4.108 -17.415 16.121 1.00 63.32 ATOM 858 C CYS 54 -6.680 -17.473 19.796 1.00 75.13 ATOM 859 O CYS 54 -6.472 -17.759 20.977 1.00 24.24 ATOM 860 N THR 55 -7.806 -16.889 19.381 1.00 0.42 ATOM 861 HN THR 55 -7.920 -16.713 18.424 1.00 36.81 ATOM 862 CA THR 55 -8.883 -16.511 20.308 1.00 60.33 ATOM 863 HA THR 55 -8.450 -15.903 21.091 1.00 11.44 ATOM 864 CB THR 55 -9.972 -15.671 19.587 1.00 23.20 ATOM 865 HB THR 55 -10.421 -16.283 18.817 1.00 70.23 ATOM 866 OG1 THR 55 -9.380 -14.514 18.972 1.00 62.44 ATOM 867 HG1 THR 55 -8.528 -14.753 18.592 1.00 11.41 ATOM 868 CG2 THR 55 -11.068 -15.225 20.555 1.00 33.34 ATOM 869 HG21 THR 55 -11.562 -16.092 20.970 1.00 1.33 ATOM 870 HG22 THR 55 -11.791 -14.619 20.027 1.00 64.34 ATOM 871 HG23 THR 55 -10.630 -14.644 21.354 1.00 15.22 ATOM 872 C THR 55 -9.540 -17.748 20.942 1.00 53.32 ATOM 873 O THR 55 -9.648 -17.848 22.168 1.00 13.24 ATOM 874 N GLU 56 -9.969 -18.689 20.100 1.00 53.12 ATOM 875 HN GLU 56 -9.866 -18.543 19.137 1.00 36.81 ATOM 876 CA GLU 56 -10.593 -19.935 20.562 1.00 72.02 ATOM 877 HA GLU 56 -11.437 -19.669 21.183 1.00 5.22 ATOM 878 CB GLU 56 -11.098 -20.752 19.364 1.00 5.04 ATOM 879 HB1 GLU 56 -11.418 -21.724 19.716 1.00 36.81 ATOM 880 HB2 GLU 56 -10.283 -20.887 18.668 1.00 54.44 ATOM 881 CG GLU 56 -12.260 -20.111 18.615 1.00 14.24 ATOM 882 HG1 GLU 56 -12.482 -20.707 17.741 1.00 36.81 ATOM 883 HG2 GLU 56 -11.968 -19.117 18.305 1.00 73.23 ATOM 884 CD GLU 56 -13.517 -20.010 19.466 1.00 25.11 ATOM 885 OE1 GLU 56 -14.088 -21.066 19.814 1.00 72.02 ATOM 886 OE2 GLU 56 -13.943 -18.880 19.784 1.00 32.53 ATOM 887 C GLU 56 -9.619 -20.780 21.397 1.00 11.33 ATOM 888 O GLU 56 -9.975 -21.275 22.467 1.00 32.31 ATOM 889 N ALA 57 -8.388 -20.935 20.903 1.00 31.41 ATOM 890 HN ALA 57 -8.171 -20.536 20.033 1.00 36.81 ATOM 891 CA ALA 57 -7.351 -21.693 21.620 1.00 5.10 ATOM 892 HA ALA 57 -7.659 -22.730 21.645 1.00 43.01 ATOM 893 CB ALA 57 -6.027 -21.609 20.869 1.00 22.31 ATOM 894 HB1 ALA 57 -5.284 -22.210 21.374 1.00 4.13 ATOM 895 HB2 ALA 57 -5.696 -20.581 20.834 1.00 11.33 ATOM 896 HB3 ALA 57 -6.161 -21.977 19.861 1.00 42.11 ATOM 897 C ALA 57 -7.183 -21.190 23.061 1.00 64.30 ATOM 898 O ALA 57 -7.107 -21.979 24.005 1.00 12.12 ATOM 899 N GLY 58 -7.136 -19.867 23.223 1.00 1.14 ATOM 900 HN GLY 58 -7.138 -19.287 22.431 1.00 36.81 ATOM 901 CA GLY 58 -7.072 -19.277 24.552 1.00 34.42 ATOM 902 HA1 GLY 58 -7.014 -18.204 24.453 1.00 36.81 ATOM 903 HA2 GLY 58 -6.180 -19.631 25.050 1.00 15.53 ATOM 904 C GLY 58 -8.288 -19.625 25.408 1.00 61.30 ATOM 905 O GLY 58 -8.156 -19.940 26.588 1.00 5.31 ATOM 906 N MET 59 -9.478 -19.578 24.804 1.00 2.40 ATOM 907 HN MET 59 -9.521 -19.314 23.859 1.00 36.81 ATOM 908 CA MET 59 -10.723 -19.922 25.507 1.00 42.53 ATOM 909 HA MET 59 -10.816 -19.254 26.349 1.00 42.30 ATOM 910 CB MET 59 -11.934 -19.730 24.582 1.00 33.55 ATOM 911 HB1 MET 59 -12.816 -20.094 25.089 1.00 36.81 ATOM 912 HB2 MET 59 -11.782 -20.317 23.686 1.00 63.04 ATOM 913 CG MET 59 -12.195 -18.285 24.165 1.00 41.44 ATOM 914 HG1 MET 59 -12.656 -18.286 23.187 1.00 36.81 ATOM 915 HG2 MET 59 -11.249 -17.766 24.107 1.00 65.45 ATOM 916 SD MET 59 -13.276 -17.385 25.309 1.00 21.13 ATOM 917 CE MET 59 -12.252 -17.243 26.773 1.00 31.24 ATOM 918 HE1 MET 59 -12.764 -16.642 27.509 1.00 71.35 ATOM 919 HE2 MET 59 -11.311 -16.779 26.514 1.00 11.52 ATOM 920 HE3 MET 59 -12.068 -18.226 27.179 1.00 2.21 ATOM 921 C MET 59 -10.696 -21.367 26.028 1.00 74.32 ATOM 922 O MET 59 -11.068 -21.630 27.175 1.00 23.22 ATOM 923 N TYR 60 -10.256 -22.297 25.179 1.00 21.44 ATOM 924 HN TYR 60 -9.989 -22.027 24.273 1.00 36.81 ATOM 925 CA TYR 60 -10.161 -23.713 25.558 1.00 62.24 ATOM 926 HA TYR 60 -11.143 -24.034 25.881 1.00 53.41 ATOM 927 CB TYR 60 -9.737 -24.562 24.351 1.00 31.24 ATOM 928 HB1 TYR 60 -9.742 -25.607 24.632 1.00 36.81 ATOM 929 HB2 TYR 60 -8.735 -24.281 24.058 1.00 34.51 ATOM 930 CG TYR 60 -10.642 -24.397 23.140 1.00 23.42 ATOM 931 CD1 TYR 60 -10.139 -24.517 21.846 1.00 1.22 ATOM 932 HD1 TYR 60 -9.091 -24.740 21.708 1.00 23.44 ATOM 933 CD2 TYR 60 -11.997 -24.109 23.288 1.00 12.14 ATOM 934 HD2 TYR 60 -12.409 -24.011 24.282 1.00 12.51 ATOM 935 CE1 TYR 60 -10.958 -24.354 20.744 1.00 11.14 ATOM 936 HE1 TYR 60 -10.548 -24.451 19.750 1.00 4.15 ATOM 937 CE2 TYR 60 -12.819 -23.947 22.188 1.00 64.34 ATOM 938 HE2 TYR 60 -13.868 -23.725 22.327 1.00 12.43 ATOM 939 CZ TYR 60 -12.295 -24.071 20.920 1.00 11.51 ATOM 940 OH TYR 60 -13.112 -23.903 19.823 1.00 75.54 ATOM 941 HH TYR 60 -13.485 -23.009 19.838 1.00 53.25 ATOM 942 C TYR 60 -9.180 -23.905 26.722 1.00 5.02 ATOM 943 O TYR 60 -9.473 -24.607 27.692 1.00 50.25 ATOM 944 N ALA 61 -8.027 -23.251 26.630 1.00 40.25 ATOM 945 HN ALA 61 -7.829 -22.748 25.810 1.00 36.81 ATOM 946 CA ALA 61 -7.035 -23.280 27.703 1.00 24.43 ATOM 947 HA ALA 61 -6.739 -24.310 27.855 1.00 62.12 ATOM 948 CB ALA 61 -5.797 -22.488 27.294 1.00 5.33 ATOM 949 HB1 ALA 61 -5.038 -22.582 28.057 1.00 5.20 ATOM 950 HB2 ALA 61 -6.058 -21.446 27.173 1.00 31.54 ATOM 951 HB3 ALA 61 -5.416 -22.872 26.359 1.00 55.54 ATOM 952 C ALA 61 -7.611 -22.731 29.022 1.00 45.53 ATOM 953 O ALA 61 -7.564 -23.398 30.057 1.00 13.42 ATOM 954 N LEU 62 -8.175 -21.521 28.970 1.00 42.43 ATOM 955 HN LEU 62 -8.229 -21.061 28.106 1.00 36.81 ATOM 956 CA LEU 62 -8.714 -20.856 30.165 1.00 74.43 ATOM 957 HA LEU 62 -7.893 -20.717 30.856 1.00 72.25 ATOM 958 CB LEU 62 -9.283 -19.476 29.799 1.00 72.04 ATOM 959 HB1 LEU 62 -9.773 -19.067 30.673 1.00 36.81 ATOM 960 HB2 LEU 62 -10.026 -19.612 29.025 1.00 74.44 ATOM 961 CG LEU 62 -8.253 -18.446 29.302 1.00 15.43 ATOM 962 HG LEU 62 -7.783 -18.826 28.405 1.00 65.54 ATOM 963 CD1 LEU 62 -8.937 -17.127 28.943 1.00 41.30 ATOM 964 HD11 LEU 62 -9.463 -16.745 29.806 1.00 21.43 ATOM 965 HD12 LEU 62 -9.638 -17.293 28.139 1.00 51.22 ATOM 966 HD13 LEU 62 -8.194 -16.407 28.627 1.00 32.12 ATOM 967 CD2 LEU 62 -7.160 -18.227 30.348 1.00 64.33 ATOM 968 HD21 LEU 62 -6.648 -19.160 30.536 1.00 5.34 ATOM 969 HD22 LEU 62 -7.602 -17.868 31.266 1.00 75.12 ATOM 970 HD23 LEU 62 -6.452 -17.500 29.981 1.00 25.41 ATOM 971 C LEU 62 -9.796 -21.695 30.866 1.00 73.30 ATOM 972 O LEU 62 -9.739 -21.903 32.080 1.00 1.34 ATOM 973 N ARG 63 -10.779 -22.179 30.104 1.00 34.53 ATOM 974 HN ARG 63 -10.765 -22.006 29.136 1.00 36.81 ATOM 975 CA ARG 63 -11.882 -22.966 30.678 1.00 4.32 ATOM 976 HA ARG 63 -12.352 -22.358 31.441 1.00 51.41 ATOM 977 CB ARG 63 -12.927 -23.296 29.598 1.00 61.43 ATOM 978 HB1 ARG 63 -13.247 -22.373 29.135 1.00 36.81 ATOM 979 HB2 ARG 63 -13.780 -23.762 30.071 1.00 63.15 ATOM 980 CG ARG 63 -12.416 -24.230 28.501 1.00 64.23 ATOM 981 HG1 ARG 63 -12.089 -25.157 28.954 1.00 36.81 ATOM 982 HG2 ARG 63 -11.579 -23.760 28.006 1.00 50.02 ATOM 983 CD ARG 63 -13.486 -24.540 27.460 1.00 73.51 ATOM 984 HD1 ARG 63 -14.346 -24.964 27.960 1.00 36.81 ATOM 985 HD2 ARG 63 -13.089 -25.262 26.759 1.00 4.12 ATOM 986 NE ARG 63 -13.907 -23.349 26.722 1.00 0.35 ATOM 987 HE ARG 63 -13.648 -22.476 27.080 1.00 52.24 ATOM 988 CZ ARG 63 -14.610 -23.383 25.622 1.00 70.24 ATOM 989 NH1 ARG 63 -14.958 -24.517 25.095 1.00 12.03 ATOM 990 HH11 ARG 63 -14.691 -25.371 25.532 1.00 71.04 ATOM 991 HH12 ARG 63 -15.492 -24.534 24.249 1.00 53.44 ATOM 992 NH2 ARG 63 -14.952 -22.280 25.047 1.00 61.42 ATOM 993 HH21 ARG 63 -14.681 -21.406 25.445 1.00 15.51 ATOM 994 HH22 ARG 63 -15.487 -22.301 24.204 1.00 61.52 ATOM 995 C ARG 63 -11.373 -24.263 31.335 1.00 43.42 ATOM 996 O ARG 63 -11.926 -24.726 32.333 1.00 72.11 ATOM 997 N GLU 64 -10.312 -24.840 30.772 1.00 3.12 ATOM 998 HN GLU 64 -9.916 -24.428 29.973 1.00 36.81 ATOM 999 CA GLU 64 -9.727 -26.079 31.298 1.00 65.22 ATOM 1000 HA GLU 64 -10.498 -26.588 31.859 1.00 73.04 ATOM 1001 CB GLU 64 -9.292 -26.989 30.141 1.00 33.43 ATOM 1002 HB1 GLU 64 -8.803 -27.863 30.547 1.00 36.81 ATOM 1003 HB2 GLU 64 -8.594 -26.453 29.514 1.00 74.04 ATOM 1004 CG GLU 64 -10.461 -27.455 29.275 1.00 1.24 ATOM 1005 HG1 GLU 64 -10.868 -26.599 28.753 1.00 36.81 ATOM 1006 HG2 GLU 64 -11.225 -27.870 29.919 1.00 53.42 ATOM 1007 CD GLU 64 -10.064 -28.509 28.254 1.00 60.03 ATOM 1008 OE1 GLU 64 -10.022 -28.199 27.047 1.00 24.55 ATOM 1009 OE2 GLU 64 -9.814 -29.665 28.662 1.00 4.42 ATOM 1010 C GLU 64 -8.552 -25.803 32.256 1.00 1.22 ATOM 1011 O GLU 64 -7.737 -26.687 32.532 1.00 53.34 ATOM 1012 N ARG 65 -8.488 -24.568 32.770 1.00 33.40 ATOM 1013 HN ARG 65 -9.131 -23.897 32.452 1.00 36.81 ATOM 1014 CA ARG 65 -7.499 -24.169 33.790 1.00 73.01 ATOM 1015 HA ARG 65 -7.666 -23.123 34.001 1.00 1.24 ATOM 1016 CB ARG 65 -7.698 -24.969 35.095 1.00 2.25 ATOM 1017 HB1 ARG 65 -6.916 -24.693 35.790 1.00 36.81 ATOM 1018 HB2 ARG 65 -7.603 -26.023 34.872 1.00 33.43 ATOM 1019 CG ARG 65 -9.048 -24.752 35.790 1.00 34.51 ATOM 1020 HG1 ARG 65 -9.263 -23.691 35.816 1.00 36.81 ATOM 1021 HG2 ARG 65 -8.981 -25.126 36.802 1.00 14.32 ATOM 1022 CD ARG 65 -10.192 -25.472 35.081 1.00 15.31 ATOM 1023 HD1 ARG 65 -9.936 -26.519 34.987 1.00 36.81 ATOM 1024 HD2 ARG 65 -10.313 -25.046 34.095 1.00 72.14 ATOM 1025 NE ARG 65 -11.457 -25.357 35.800 1.00 20.03 ATOM 1026 HE ARG 65 -11.497 -24.735 36.554 1.00 20.23 ATOM 1027 CZ ARG 65 -12.533 -26.034 35.501 1.00 42.52 ATOM 1028 NH1 ARG 65 -12.532 -26.877 34.518 1.00 43.42 ATOM 1029 HH11 ARG 65 -11.704 -27.013 33.978 1.00 13.31 ATOM 1030 HH12 ARG 65 -13.358 -27.398 34.308 1.00 11.54 ATOM 1031 NH2 ARG 65 -13.610 -25.871 36.195 1.00 3.20 ATOM 1032 HH21 ARG 65 -13.616 -25.231 36.960 1.00 44.30 ATOM 1033 HH22 ARG 65 -14.436 -26.385 35.965 1.00 33.31 ATOM 1034 C ARG 65 -6.047 -24.330 33.293 1.00 3.34 ATOM 1035 O ARG 65 -5.110 -24.433 34.092 1.00 10.41 ATOM 1036 N ARG 66 -5.868 -24.336 31.977 1.00 35.43 ATOM 1037 HN ARG 66 -6.649 -24.245 31.393 1.00 36.81 ATOM 1038 CA ARG 66 -4.539 -24.473 31.372 1.00 13.13 ATOM 1039 HA ARG 66 -3.953 -25.125 32.004 1.00 63.52 ATOM 1040 CB ARG 66 -4.653 -25.108 29.979 1.00 70.33 ATOM 1041 HB1 ARG 66 -3.663 -25.186 29.552 1.00 36.81 ATOM 1042 HB2 ARG 66 -5.255 -24.465 29.352 1.00 21.05 ATOM 1043 CG ARG 66 -5.284 -26.496 29.984 1.00 50.24 ATOM 1044 HG1 ARG 66 -6.248 -26.441 30.474 1.00 36.81 ATOM 1045 HG2 ARG 66 -4.641 -27.172 30.531 1.00 32.34 ATOM 1046 CD ARG 66 -5.478 -27.040 28.570 1.00 31.42 ATOM 1047 HD1 ARG 66 -4.520 -27.058 28.068 1.00 36.81 ATOM 1048 HD2 ARG 66 -6.152 -26.385 28.035 1.00 1.02 ATOM 1049 NE ARG 66 -6.035 -28.391 28.580 1.00 15.34 ATOM 1050 HE ARG 66 -6.133 -28.831 29.446 1.00 2.14 ATOM 1051 CZ ARG 66 -6.398 -29.051 27.514 1.00 21.32 ATOM 1052 NH1 ARG 66 -6.327 -28.512 26.337 1.00 23.32 ATOM 1053 HH11 ARG 66 -5.991 -27.575 26.229 1.00 20.14 ATOM 1054 HH12 ARG 66 -6.622 -29.024 25.538 1.00 72.41 ATOM 1055 NH2 ARG 66 -6.856 -30.253 27.633 1.00 33.15 ATOM 1056 HH21 ARG 66 -6.932 -30.668 28.537 1.00 54.52 ATOM 1057 HH22 ARG 66 -7.135 -30.763 26.823 1.00 64.25 ATOM 1058 C ARG 66 -3.827 -23.115 31.265 1.00 60.42 ATOM 1059 O ARG 66 -4.257 -22.232 30.523 1.00 52.41 ATOM 1060 N VAL 67 -2.738 -22.959 32.011 1.00 40.22 ATOM 1061 HN VAL 67 -2.476 -23.678 32.624 1.00 36.81 ATOM 1062 CA VAL 67 -1.920 -21.744 31.943 1.00 14.40 ATOM 1063 HA VAL 67 -2.582 -20.888 31.954 1.00 11.20 ATOM 1064 CB VAL 67 -0.963 -21.648 33.160 1.00 52.13 ATOM 1065 HB VAL 67 -0.286 -22.491 33.121 1.00 20.14 ATOM 1066 CG1 VAL 67 -0.127 -20.370 33.106 1.00 13.44 ATOM 1067 HG11 VAL 67 0.513 -20.319 33.975 1.00 1.14 ATOM 1068 HG12 VAL 67 -0.780 -19.508 33.091 1.00 35.41 ATOM 1069 HG13 VAL 67 0.481 -20.373 32.212 1.00 31.34 ATOM 1070 CG2 VAL 67 -1.750 -21.733 34.470 1.00 44.33 ATOM 1071 HG21 VAL 67 -2.291 -22.667 34.507 1.00 10.02 ATOM 1072 HG22 VAL 67 -2.450 -20.910 34.527 1.00 70.12 ATOM 1073 HG23 VAL 67 -1.067 -21.680 35.306 1.00 54.42 ATOM 1074 C VAL 67 -1.098 -21.726 30.646 1.00 63.35 ATOM 1075 O VAL 67 -0.967 -20.695 29.982 1.00 24.32 ATOM 1076 N HIS 68 -0.552 -22.887 30.298 1.00 41.33 ATOM 1077 HN HIS 68 -0.681 -23.658 30.887 1.00 36.81 ATOM 1078 CA HIS 68 0.221 -23.061 29.067 1.00 5.35 ATOM 1079 HA HIS 68 0.467 -22.081 28.682 1.00 13.22 ATOM 1080 CB HIS 68 1.522 -23.817 29.368 1.00 42.42 ATOM 1081 HB1 HIS 68 2.062 -23.980 28.445 1.00 36.81 ATOM 1082 HB2 HIS 68 1.283 -24.772 29.814 1.00 55.55 ATOM 1083 CG HIS 68 2.424 -23.084 30.309 1.00 21.34 ATOM 1084 ND1 HIS 68 2.318 -23.175 31.680 1.00 14.23 ATOM 1085 HD1 HIS 68 1.675 -23.732 32.174 1.00 11.34 ATOM 1086 CD2 HIS 68 3.443 -22.226 30.072 1.00 42.51 ATOM 1087 HD2 HIS 68 3.811 -21.920 29.102 1.00 73.54 ATOM 1088 CE1 HIS 68 3.227 -22.407 32.244 1.00 34.24 ATOM 1089 HE1 HIS 68 3.380 -22.281 33.306 1.00 43.21 ATOM 1090 NE2 HIS 68 3.922 -21.821 31.292 1.00 5.10 ATOM 1091 HE2 HIS 68 4.589 -21.114 31.434 1.00 36.81 ATOM 1092 C HIS 68 -0.601 -23.815 28.013 1.00 12.20 ATOM 1093 O HIS 68 -0.974 -24.973 28.216 1.00 43.31 ATOM 1094 N VAL 69 -0.877 -23.148 26.896 1.00 12.05 ATOM 1095 HN VAL 69 -0.509 -22.248 26.781 1.00 36.81 ATOM 1096 CA VAL 69 -1.708 -23.714 25.828 1.00 14.34 ATOM 1097 HA VAL 69 -2.593 -24.138 26.285 1.00 61.53 ATOM 1098 CB VAL 69 -2.155 -22.611 24.831 1.00 2.51 ATOM 1099 HB VAL 69 -1.283 -22.284 24.279 1.00 74.21 ATOM 1100 CG1 VAL 69 -3.170 -23.154 23.826 1.00 54.42 ATOM 1101 HG11 VAL 69 -2.718 -23.944 23.244 1.00 61.02 ATOM 1102 HG12 VAL 69 -3.486 -22.358 23.165 1.00 43.34 ATOM 1103 HG13 VAL 69 -4.029 -23.544 24.353 1.00 40.10 ATOM 1104 CG2 VAL 69 -2.721 -21.402 25.579 1.00 1.30 ATOM 1105 HG21 VAL 69 -3.577 -21.706 26.163 1.00 30.13 ATOM 1106 HG22 VAL 69 -3.022 -20.645 24.868 1.00 41.35 ATOM 1107 HG23 VAL 69 -1.964 -20.996 26.235 1.00 21.14 ATOM 1108 C VAL 69 -0.962 -24.821 25.061 1.00 52.05 ATOM 1109 O VAL 69 0.255 -24.744 24.862 1.00 53.12 ATOM 1110 N THR 70 -1.698 -25.851 24.635 1.00 11.41 ATOM 1111 HN THR 70 -2.667 -25.847 24.803 1.00 36.81 ATOM 1112 CA THR 70 -1.106 -26.982 23.903 1.00 71.42 ATOM 1113 HA THR 70 -0.031 -26.849 23.890 1.00 61.11 ATOM 1114 CB THR 70 -1.412 -28.342 24.588 1.00 10.24 ATOM 1115 HB THR 70 -0.871 -29.118 24.065 1.00 31.34 ATOM 1116 OG1 THR 70 -2.819 -28.639 24.525 1.00 73.02 ATOM 1117 HG1 THR 70 -3.329 -27.819 24.602 1.00 33.03 ATOM 1118 CG2 THR 70 -0.957 -28.338 26.047 1.00 34.31 ATOM 1119 HG21 THR 70 -1.469 -27.552 26.585 1.00 13.04 ATOM 1120 HG22 THR 70 0.109 -28.168 26.095 1.00 32.14 ATOM 1121 HG23 THR 70 -1.189 -29.292 26.501 1.00 11.44 ATOM 1122 C THR 70 -1.608 -27.035 22.455 1.00 75.41 ATOM 1123 O THR 70 -2.562 -26.348 22.087 1.00 15.50 ATOM 1124 N GLN 71 -0.963 -27.864 21.637 1.00 44.42 ATOM 1125 HN GLN 71 -0.229 -28.409 21.994 1.00 36.81 ATOM 1126 CA GLN 71 -1.313 -27.988 20.217 1.00 75.51 ATOM 1127 HA GLN 71 -1.134 -27.031 19.747 1.00 72.33 ATOM 1128 CB GLN 71 -0.419 -29.041 19.552 1.00 61.22 ATOM 1129 HB1 GLN 71 -0.679 -30.015 19.946 1.00 36.81 ATOM 1130 HB2 GLN 71 0.612 -28.829 19.799 1.00 74.33 ATOM 1131 CG GLN 71 -0.549 -29.090 18.034 1.00 74.21 ATOM 1132 HG1 GLN 71 -0.128 -28.183 17.621 1.00 36.81 ATOM 1133 HG2 GLN 71 -1.596 -29.148 17.776 1.00 43.14 ATOM 1134 CD GLN 71 0.159 -30.280 17.419 1.00 21.45 ATOM 1135 OE1 GLN 71 0.242 -31.347 18.017 1.00 74.13 ATOM 1136 NE2 GLN 71 0.690 -30.103 16.229 1.00 34.01 ATOM 1137 HE21 GLN 71 0.609 -29.221 15.812 1.00 3.13 ATOM 1138 HE22 GLN 71 1.144 -30.863 15.812 1.00 1.41 ATOM 1139 C GLN 71 -2.796 -28.368 20.027 1.00 15.12 ATOM 1140 O GLN 71 -3.459 -27.883 19.105 1.00 0.01 ATOM 1141 N GLU 72 -3.304 -29.227 20.913 1.00 10.23 ATOM 1142 HN GLU 72 -2.721 -29.572 21.622 1.00 36.81 ATOM 1143 CA GLU 72 -4.700 -29.682 20.858 1.00 61.33 ATOM 1144 HA GLU 72 -4.824 -30.252 19.947 1.00 51.35 ATOM 1145 CB GLU 72 -5.006 -30.596 22.057 1.00 71.32 ATOM 1146 HB1 GLU 72 -6.057 -30.852 22.043 1.00 36.81 ATOM 1147 HB2 GLU 72 -4.791 -30.056 22.968 1.00 42.25 ATOM 1148 CG GLU 72 -4.198 -31.894 22.071 1.00 0.23 ATOM 1149 HG1 GLU 72 -3.146 -31.646 22.103 1.00 36.81 ATOM 1150 HG2 GLU 72 -4.408 -32.444 21.165 1.00 73.31 ATOM 1151 CD GLU 72 -4.528 -32.780 23.264 1.00 11.31 ATOM 1152 OE1 GLU 72 -3.700 -32.873 24.196 1.00 2.23 ATOM 1153 OE2 GLU 72 -5.620 -33.390 23.277 1.00 23.34 ATOM 1154 C GLU 72 -5.690 -28.504 20.838 1.00 44.21 ATOM 1155 O GLU 72 -6.678 -28.524 20.101 1.00 15.34 ATOM 1156 N ASP 73 -5.417 -27.480 21.644 1.00 53.25 ATOM 1157 HN ASP 73 -4.604 -27.507 22.193 1.00 36.81 ATOM 1158 CA ASP 73 -6.293 -26.307 21.727 1.00 62.20 ATOM 1159 HA ASP 73 -7.291 -26.657 21.950 1.00 74.04 ATOM 1160 CB ASP 73 -5.826 -25.379 22.858 1.00 63.42 ATOM 1161 HB1 ASP 73 -6.523 -24.557 22.955 1.00 36.81 ATOM 1162 HB2 ASP 73 -4.849 -24.987 22.614 1.00 73.54 ATOM 1163 CG ASP 73 -5.738 -26.096 24.197 1.00 55.54 ATOM 1164 OD1 ASP 73 -4.610 -26.406 24.643 1.00 74.43 ATOM 1165 OD2 ASP 73 -6.794 -26.367 24.802 1.00 1.41 ATOM 1166 C ASP 73 -6.324 -25.540 20.391 1.00 23.45 ATOM 1167 O ASP 73 -7.386 -25.119 19.922 1.00 62.13 ATOM 1168 N PHE 74 -5.154 -25.382 19.772 1.00 61.34 ATOM 1169 HN PHE 74 -4.347 -25.767 20.178 1.00 36.81 ATOM 1170 CA PHE 74 -5.039 -24.651 18.505 1.00 61.24 ATOM 1171 HA PHE 74 -5.494 -23.681 18.651 1.00 44.50 ATOM 1172 CB PHE 74 -3.567 -24.444 18.132 1.00 61.12 ATOM 1173 HB1 PHE 74 -3.509 -24.089 17.111 1.00 36.81 ATOM 1174 HB2 PHE 74 -3.050 -25.390 18.202 1.00 60.20 ATOM 1175 CG PHE 74 -2.840 -23.453 19.007 1.00 13.53 ATOM 1176 CD1 PHE 74 -2.069 -23.878 20.080 1.00 73.13 ATOM 1177 HD1 PHE 74 -1.998 -24.934 20.295 1.00 41.33 ATOM 1178 CD2 PHE 74 -2.920 -22.092 18.745 1.00 24.33 ATOM 1179 HD2 PHE 74 -3.520 -21.745 17.914 1.00 60.11 ATOM 1180 CE1 PHE 74 -1.396 -22.968 20.872 1.00 52.32 ATOM 1181 HE1 PHE 74 -0.800 -23.313 21.706 1.00 12.30 ATOM 1182 CE2 PHE 74 -2.250 -21.178 19.537 1.00 61.01 ATOM 1183 HE2 PHE 74 -2.322 -20.122 19.323 1.00 12.00 ATOM 1184 CZ PHE 74 -1.486 -21.617 20.600 1.00 52.34 ATOM 1185 HZ PHE 74 -0.958 -20.905 21.219 1.00 14.02 ATOM 1186 C PHE 74 -5.773 -25.357 17.350 1.00 62.34 ATOM 1187 O PHE 74 -6.513 -24.721 16.601 1.00 42.11 ATOM 1188 N GLU 75 -5.568 -26.668 17.201 1.00 62.14 ATOM 1189 HN GLU 75 -5.003 -27.143 17.850 1.00 36.81 ATOM 1190 CA GLU 75 -6.178 -27.413 16.084 1.00 45.14 ATOM 1191 HA GLU 75 -5.951 -26.862 15.180 1.00 54.10 ATOM 1192 CB GLU 75 -5.569 -28.819 15.952 1.00 53.41 ATOM 1193 HB1 GLU 75 -4.528 -28.716 15.677 1.00 36.81 ATOM 1194 HB2 GLU 75 -6.084 -29.345 15.161 1.00 52.42 ATOM 1195 CG GLU 75 -5.645 -29.674 17.211 1.00 40.21 ATOM 1196 HG1 GLU 75 -6.682 -29.902 17.417 1.00 36.81 ATOM 1197 HG2 GLU 75 -5.228 -29.117 18.039 1.00 74.31 ATOM 1198 CD GLU 75 -4.874 -30.978 17.066 1.00 54.22 ATOM 1199 OE1 GLU 75 -5.501 -32.057 17.036 1.00 13.12 ATOM 1200 OE2 GLU 75 -3.629 -30.923 16.952 1.00 13.53 ATOM 1201 C GLU 75 -7.709 -27.487 16.211 1.00 11.11 ATOM 1202 O GLU 75 -8.425 -27.437 15.207 1.00 42.24 ATOM 1203 N MET 76 -8.211 -27.596 17.442 1.00 24.02 ATOM 1204 HN MET 76 -7.601 -27.747 18.198 1.00 36.81 ATOM 1205 CA MET 76 -9.656 -27.504 17.689 1.00 63.11 ATOM 1206 HA MET 76 -10.147 -28.244 17.071 1.00 64.21 ATOM 1207 CB MET 76 -9.974 -27.792 19.163 1.00 24.13 ATOM 1208 HB1 MET 76 -11.011 -27.550 19.349 1.00 36.81 ATOM 1209 HB2 MET 76 -9.351 -27.165 19.785 1.00 32.30 ATOM 1210 CG MET 76 -9.746 -29.242 19.568 1.00 4.13 ATOM 1211 HG1 MET 76 -9.977 -29.351 20.619 1.00 36.81 ATOM 1212 HG2 MET 76 -8.708 -29.493 19.401 1.00 5.11 ATOM 1213 SD MET 76 -10.773 -30.390 18.629 1.00 13.00 ATOM 1214 CE MET 76 -12.418 -29.816 19.058 1.00 22.51 ATOM 1215 HE1 MET 76 -12.561 -28.815 18.678 1.00 4.31 ATOM 1216 HE2 MET 76 -12.526 -29.812 20.132 1.00 31.04 ATOM 1217 HE3 MET 76 -13.156 -30.476 18.625 1.00 13.14 ATOM 1218 C MET 76 -10.175 -26.114 17.299 1.00 72.10 ATOM 1219 O MET 76 -11.253 -25.976 16.714 1.00 2.14 ATOM 1220 N ALA 77 -9.388 -25.088 17.619 1.00 40.11 ATOM 1221 HN ALA 77 -8.570 -25.260 18.132 1.00 36.81 ATOM 1222 CA ALA 77 -9.710 -23.711 17.243 1.00 32.21 ATOM 1223 HA ALA 77 -10.668 -23.465 17.680 1.00 34.34 ATOM 1224 CB ALA 77 -8.670 -22.761 17.822 1.00 11.44 ATOM 1225 HB1 ALA 77 -7.700 -22.979 17.396 1.00 2.41 ATOM 1226 HB2 ALA 77 -8.627 -22.885 18.894 1.00 22.24 ATOM 1227 HB3 ALA 77 -8.942 -21.741 17.590 1.00 73.22 ATOM 1228 C ALA 77 -9.804 -23.548 15.717 1.00 72.12 ATOM 1229 O ALA 77 -10.767 -22.978 15.201 1.00 61.32 ATOM 1230 N VAL 78 -8.801 -24.057 14.997 1.00 24.34 ATOM 1231 HN VAL 78 -8.041 -24.467 15.465 1.00 36.81 ATOM 1232 CA VAL 78 -8.801 -24.015 13.525 1.00 2.31 ATOM 1233 HA VAL 78 -8.753 -22.976 13.223 1.00 40.40 ATOM 1234 CB VAL 78 -7.575 -24.754 12.926 1.00 11.31 ATOM 1235 HB VAL 78 -7.616 -25.788 13.244 1.00 52.32 ATOM 1236 CG1 VAL 78 -7.614 -24.730 11.396 1.00 52.40 ATOM 1237 HG11 VAL 78 -8.511 -25.224 11.051 1.00 60.05 ATOM 1238 HG12 VAL 78 -6.749 -25.246 11.004 1.00 12.50 ATOM 1239 HG13 VAL 78 -7.610 -23.707 11.048 1.00 25.30 ATOM 1240 CG2 VAL 78 -6.271 -24.151 13.442 1.00 62.43 ATOM 1241 HG21 VAL 78 -6.215 -23.108 13.162 1.00 40.12 ATOM 1242 HG22 VAL 78 -5.432 -24.683 13.015 1.00 11.12 ATOM 1243 HG23 VAL 78 -6.235 -24.235 14.519 1.00 33.11 ATOM 1244 C VAL 78 -10.082 -24.639 12.954 1.00 21.41 ATOM 1245 O VAL 78 -10.719 -24.073 12.060 1.00 60.31 ATOM 1246 N ALA 79 -10.454 -25.802 13.483 1.00 64.04 ATOM 1247 HN ALA 79 -9.885 -26.217 14.170 1.00 36.81 ATOM 1248 CA ALA 79 -11.683 -26.485 13.069 1.00 31.31 ATOM 1249 HA ALA 79 -11.604 -26.695 12.011 1.00 54.01 ATOM 1250 CB ALA 79 -11.814 -27.814 13.805 1.00 64.42 ATOM 1251 HB1 ALA 79 -10.935 -28.417 13.623 1.00 45.32 ATOM 1252 HB2 ALA 79 -12.689 -28.341 13.452 1.00 60.20 ATOM 1253 HB3 ALA 79 -11.909 -27.632 14.866 1.00 65.41 ATOM 1254 C ALA 79 -12.923 -25.607 13.309 1.00 22.11 ATOM 1255 O ALA 79 -13.814 -25.527 12.463 1.00 64.31 ATOM 1256 N LYS 80 -12.962 -24.934 14.459 1.00 22.43 ATOM 1257 HN LYS 80 -12.212 -25.026 15.088 1.00 36.81 ATOM 1258 CA LYS 80 -14.092 -24.065 14.819 1.00 22.03 ATOM 1259 HA LYS 80 -15.000 -24.630 14.663 1.00 12.41 ATOM 1260 CB LYS 80 -13.999 -23.677 16.305 1.00 2.10 ATOM 1261 HB1 LYS 80 -13.084 -23.119 16.456 1.00 36.81 ATOM 1262 HB2 LYS 80 -13.951 -24.581 16.895 1.00 2.24 ATOM 1263 CG LYS 80 -15.166 -22.829 16.831 1.00 72.15 ATOM 1264 HG1 LYS 80 -15.432 -22.099 16.078 1.00 36.81 ATOM 1265 HG2 LYS 80 -14.842 -22.312 17.723 1.00 62.42 ATOM 1266 CD LYS 80 -16.411 -23.659 17.178 1.00 15.12 ATOM 1267 HD1 LYS 80 -17.101 -23.032 17.727 1.00 36.81 ATOM 1268 HD2 LYS 80 -16.111 -24.487 17.804 1.00 42.24 ATOM 1269 CE LYS 80 -17.125 -24.217 15.948 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.430 -24.820 15.382 1.00 36.81 ATOM 1271 HE2 LYS 80 -17.466 -23.393 15.337 1.00 11.51 ATOM 1272 NZ LYS 80 -18.296 -25.054 16.321 1.00 23.12 ATOM 1273 HZ1 LYS 80 -18.011 -25.785 17.002 1.00 31.25 ATOM 1274 HZ2 LYS 80 -18.684 -25.525 15.478 1.00 51.22 ATOM 1275 HZ3 LYS 80 -19.040 -24.467 16.747 1.00 52.41 ATOM 1276 C LYS 80 -14.144 -22.795 13.944 1.00 44.34 ATOM 1277 O LYS 80 -15.223 -22.285 13.632 1.00 32.33 ATOM 1278 N VAL 81 -12.974 -22.292 13.557 1.00 23.02 ATOM 1279 HN VAL 81 -12.149 -22.742 13.842 1.00 36.81 ATOM 1280 CA VAL 81 -12.874 -21.073 12.740 1.00 61.23 ATOM 1281 HA VAL 81 -13.605 -20.365 13.110 1.00 14.41 ATOM 1282 CB VAL 81 -11.471 -20.426 12.883 1.00 62.45 ATOM 1283 HB VAL 81 -10.729 -21.168 12.618 1.00 44.41 ATOM 1284 CG1 VAL 81 -11.307 -19.234 11.938 1.00 33.54 ATOM 1285 HG11 VAL 81 -11.454 -19.558 10.918 1.00 74.41 ATOM 1286 HG12 VAL 81 -10.311 -18.825 12.044 1.00 23.41 ATOM 1287 HG13 VAL 81 -12.036 -18.475 12.182 1.00 72.13 ATOM 1288 CG2 VAL 81 -11.223 -20.003 14.330 1.00 72.14 ATOM 1289 HG21 VAL 81 -11.962 -19.271 14.624 1.00 71.15 ATOM 1290 HG22 VAL 81 -10.236 -19.571 14.418 1.00 10.41 ATOM 1291 HG23 VAL 81 -11.295 -20.866 14.977 1.00 14.21 ATOM 1292 C VAL 81 -13.161 -21.340 11.249 1.00 52.04 ATOM 1293 O VAL 81 -13.934 -20.617 10.616 1.00 53.14 ATOM 1294 N MET 82 -12.534 -22.375 10.690 1.00 43.51 ATOM 1295 HN MET 82 -11.963 -22.941 11.250 1.00 36.81 ATOM 1296 CA MET 82 -12.675 -22.689 9.259 1.00 61.11 ATOM 1297 HA MET 82 -12.789 -21.752 8.730 1.00 32.10 ATOM 1298 CB MET 82 -11.411 -23.388 8.742 1.00 30.54 ATOM 1299 HB1 MET 82 -11.576 -23.699 7.719 1.00 36.81 ATOM 1300 HB2 MET 82 -11.225 -24.264 9.348 1.00 54.11 ATOM 1301 CG MET 82 -10.166 -22.508 8.778 1.00 51.34 ATOM 1302 HG1 MET 82 -9.324 -23.081 8.414 1.00 36.81 ATOM 1303 HG2 MET 82 -9.980 -22.210 9.800 1.00 41.23 ATOM 1304 SD MET 82 -10.335 -21.022 7.765 1.00 45.24 ATOM 1305 CE MET 82 -10.546 -21.738 6.135 1.00 21.32 ATOM 1306 HE1 MET 82 -9.693 -22.357 5.900 1.00 65.51 ATOM 1307 HE2 MET 82 -10.629 -20.948 5.403 1.00 63.42 ATOM 1308 HE3 MET 82 -11.444 -22.338 6.118 1.00 64.40 ATOM 1309 C MET 82 -13.911 -23.560 8.969 1.00 24.32 ATOM 1310 O MET 82 -14.440 -23.536 7.857 1.00 44.35 ATOM 1311 N GLN 83 -14.356 -24.334 9.964 1.00 53.22 ATOM 1312 HN GLN 83 -13.877 -24.321 10.820 1.00 36.81 ATOM 1313 CA GLN 83 -15.544 -25.201 9.826 1.00 51.14 ATOM 1314 HA GLN 83 -15.674 -25.723 10.764 1.00 23.03 ATOM 1315 CB GLN 83 -16.799 -24.356 9.557 1.00 53.52 ATOM 1316 HB1 GLN 83 -17.661 -25.010 9.541 1.00 36.81 ATOM 1317 HB2 GLN 83 -16.701 -23.885 8.588 1.00 34.11 ATOM 1318 CG GLN 83 -17.049 -23.267 10.592 1.00 53.21 ATOM 1319 HG1 GLN 83 -16.207 -22.587 10.597 1.00 36.81 ATOM 1320 HG2 GLN 83 -17.145 -23.725 11.565 1.00 54.54 ATOM 1321 CD GLN 83 -18.311 -22.479 10.299 1.00 61.32 ATOM 1322 OE1 GLN 83 -19.390 -22.807 10.780 1.00 44.51 ATOM 1323 NE2 GLN 83 -18.192 -21.448 9.488 1.00 12.54 ATOM 1324 HE21 GLN 83 -17.306 -21.246 9.120 1.00 75.12 ATOM 1325 HE22 GLN 83 -18.995 -20.929 9.283 1.00 42.04 ATOM 1326 C GLN 83 -15.376 -26.246 8.706 1.00 24.31 ATOM 1327 O GLN 83 -16.358 -26.793 8.198 1.00 62.04 ATOM 1328 N LYS 84 -14.132 -26.531 8.332 1.00 12.23 ATOM 1329 HN LYS 84 -13.386 -26.095 8.792 1.00 36.81 ATOM 1330 CA LYS 84 -13.851 -27.483 7.254 1.00 34.11 ATOM 1331 HA LYS 84 -14.748 -28.067 7.093 1.00 71.33 ATOM 1332 CB LYS 84 -13.513 -26.737 5.949 1.00 63.15 ATOM 1333 HB1 LYS 84 -12.696 -26.055 6.138 1.00 36.81 ATOM 1334 HB2 LYS 84 -14.379 -26.167 5.639 1.00 30.11 ATOM 1335 CG LYS 84 -13.110 -27.659 4.798 1.00 12.40 ATOM 1336 HG1 LYS 84 -12.172 -28.137 5.047 1.00 36.81 ATOM 1337 HG2 LYS 84 -12.986 -27.066 3.902 1.00 21.52 ATOM 1338 CD LYS 84 -14.162 -28.737 4.536 1.00 63.43 ATOM 1339 HD1 LYS 84 -15.065 -28.264 4.170 1.00 36.81 ATOM 1340 HD2 LYS 84 -14.377 -29.252 5.462 1.00 50.01 ATOM 1341 CE LYS 84 -13.687 -29.757 3.510 1.00 42.20 ATOM 1342 HE1 LYS 84 -12.714 -30.124 3.805 1.00 36.81 ATOM 1343 HE2 LYS 84 -13.612 -29.275 2.547 1.00 4.54 ATOM 1344 NZ LYS 84 -14.623 -30.906 3.401 1.00 44.35 ATOM 1345 HZ1 LYS 84 -14.692 -31.400 4.316 1.00 51.23 ATOM 1346 HZ2 LYS 84 -14.281 -31.576 2.683 1.00 22.43 ATOM 1347 HZ3 LYS 84 -15.569 -30.575 3.124 1.00 15.22 ATOM 1348 C LYS 84 -12.712 -28.444 7.627 1.00 51.11 ATOM 1349 O LYS 84 -11.648 -28.024 8.082 1.00 44.32 ATOM 1350 N ASP 85 -12.955 -29.735 7.426 1.00 15.12 ATOM 1351 HN ASP 85 -13.838 -30.006 7.094 1.00 36.81 ATOM 1352 CA ASP 85 -11.956 -30.770 7.681 1.00 0.43 ATOM 1353 HA ASP 85 -11.453 -30.521 8.605 1.00 2.34 ATOM 1354 CB ASP 85 -12.652 -32.131 7.851 1.00 64.10 ATOM 1355 HB1 ASP 85 -13.300 -32.090 8.717 1.00 36.81 ATOM 1356 HB2 ASP 85 -11.902 -32.893 8.011 1.00 34.12 ATOM 1357 CG ASP 85 -13.493 -32.524 6.643 1.00 42.32 ATOM 1358 OD1 ASP 85 -13.238 -33.596 6.058 1.00 21.31 ATOM 1359 OD2 ASP 85 -14.411 -31.763 6.268 1.00 52.03 ATOM 1360 C ASP 85 -10.909 -30.824 6.550 1.00 22.22 ATOM 1361 O ASP 85 -11.183 -31.310 5.452 1.00 74.21 ATOM 1362 N SER 86 -9.717 -30.296 6.825 1.00 21.12 ATOM 1363 HN SER 86 -9.569 -29.899 7.708 1.00 36.81 ATOM 1364 HA SER 86 -9.010 -29.858 4.923 1.00 33.52 ATOM 1365 CB SER 86 -7.460 -29.406 6.329 1.00 45.05 ATOM 1366 HB1 SER 86 -7.081 -29.796 7.263 1.00 36.81 ATOM 1367 HB2 SER 86 -7.810 -28.394 6.478 1.00 73.32 ATOM 1368 OG SER 86 -6.400 -29.384 5.383 1.00 73.31 ATOM 1369 HG SER 86 -5.617 -29.792 5.775 1.00 43.53 ATOM 1370 CA SER 86 -8.620 -30.284 5.840 1.00 33.31 ATOM 1371 C SER 86 -8.100 -31.702 5.542 1.00 24.22 ATOM 1372 OT1 SER 86 -8.405 -32.239 4.450 1.00 36.81 ATOM 1373 OT2 SER 86 -7.405 -32.283 6.406 1.00 36.81 ATOM 1374 OH2 TIP3 1 -18.718 -30.508 -2.482 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -17.741 -30.523 -2.556 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -18.974 -31.433 -2.553 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -11.969 -29.123 0.065 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -12.627 -29.827 -0.007 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -12.503 -28.307 0.168 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.375 -32.815 4.039 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.013 -32.466 4.880 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.955 -33.550 4.314 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -17.985 -33.524 7.753 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -17.231 -33.987 7.323 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.237 -34.113 8.498 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -20.449 -33.083 6.676 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -20.539 -33.687 5.919 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -19.558 -33.282 7.036 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -11.064 -36.656 5.007 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -11.747 -36.614 5.718 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -10.780 -35.715 4.895 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.704 -36.637 6.293 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -19.387 -36.117 5.841 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -18.028 -36.791 5.606 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -14.022 -36.513 3.681 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -13.315 -36.629 4.338 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -13.618 -36.814 2.837 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -8.025 -33.812 8.548 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -8.923 -33.470 8.592 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -7.620 -33.325 7.782 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -18.170 -31.338 9.357 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -17.988 -32.064 8.717 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.745 -30.551 8.955 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -10.719 -38.474 3.044 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -9.741 -38.541 2.961 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -10.851 -37.833 3.780 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.775 -36.818 0.401 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -17.798 -37.164 -0.495 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.102 -36.099 0.366 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -16.400 -32.715 2.156 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -17.249 -32.731 2.655 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -15.778 -33.222 2.732 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -16.650 -36.933 8.062 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -17.511 -37.052 7.604 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -16.233 -36.181 7.587 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -20.654 -30.839 8.277 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -20.783 -31.578 7.637 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -19.847 -31.092 8.773 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -15.933 -34.817 0.374 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -14.953 -34.834 0.415 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -16.179 -34.034 0.901 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -20.599 -27.361 11.880 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -19.677 -27.687 11.995 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -20.969 -27.937 11.181 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -9.507 -29.485 -1.073 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -10.399 -29.273 -0.715 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -9.317 -30.376 -0.719 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.385 -29.210 7.772 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -16.904 -28.394 8.021 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.284 -28.890 7.531 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -16.033 -27.203 1.602 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -16.661 -26.586 1.999 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -16.590 -27.952 1.300 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.759 -27.653 -2.028 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.700 -27.775 -1.809 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.448 -28.551 -2.256 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -16.365 -39.216 11.213 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -15.672 -39.119 10.521 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -16.273 -40.122 11.514 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -14.665 -38.522 9.211 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -13.881 -37.943 9.189 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.326 -38.050 8.667 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -18.353 -36.238 3.015 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -18.247 -36.462 2.061 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -17.609 -36.697 3.450 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -16.416 -37.183 4.766 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.175 -37.895 5.373 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -15.575 -36.976 4.294 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -16.877 -36.582 10.774 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -16.743 -36.729 9.812 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -16.844 -37.489 11.160 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -20.166 -34.932 4.493 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.510 -35.384 3.899 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -21.017 -35.090 4.064 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -19.437 -30.755 2.381 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -19.484 -31.681 2.672 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.800 -30.348 3.001 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.962 -32.852 11.586 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -18.099 -32.134 10.925 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.376 -33.636 11.170 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.000 -31.235 5.943 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -17.168 -30.606 6.676 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -16.095 -31.588 6.131 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -15.236 -32.746 11.517 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.207 -32.895 11.488 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -15.146 -31.777 11.468 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -7.306 -33.902 17.961 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -8.201 -33.500 18.008 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -6.739 -33.185 17.577 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.568 -27.654 4.805 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -19.150 -26.936 4.464 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -19.053 -27.999 5.589 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -17.209 -29.791 3.699 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -17.260 -30.325 4.524 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -17.562 -28.912 3.960 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -20.686 -24.630 12.289 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -20.594 -25.531 11.912 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -20.177 -24.063 11.681 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -21.485 -26.739 2.197 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -20.894 -26.423 1.483 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -21.115 -26.334 3.010 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.328 -30.706 0.643 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -16.066 -30.074 0.514 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.762 -31.505 1.012 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -11.823 -24.890 0.499 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -11.714 -24.916 -0.473 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -12.376 -25.670 0.695 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -12.905 -32.367 1.759 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -13.087 -33.275 1.441 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -11.943 -32.367 1.942 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -17.670 -29.264 0.701 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -18.244 -29.839 1.246 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -18.262 -28.937 -0.004 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -21.017 -29.125 0.791 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -20.624 -29.805 1.377 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -21.386 -28.462 1.408 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.970 -26.065 14.161 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -21.591 -25.365 13.577 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -21.530 -26.879 13.863 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -19.426 -28.251 -1.186 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -20.154 -28.532 -0.574 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.342 -29.006 -1.818 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.861 -29.981 12.356 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -15.114 -29.747 12.930 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.441 -30.520 12.930 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -13.775 -31.420 -1.466 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -14.243 -31.246 -0.619 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -13.067 -32.039 -1.224 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.978 -30.313 -2.778 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -15.754 -30.437 -3.706 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -15.215 -30.708 -2.294 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.092 -31.826 14.018 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.349 -32.439 14.173 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.605 -32.248 13.294 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.870 -34.891 9.959 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -19.677 -35.413 9.865 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.210 -35.526 10.321 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -14.369 -35.372 11.403 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -14.641 -34.434 11.313 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -15.213 -35.871 11.345 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -14.620 -33.126 14.166 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -14.650 -33.229 13.190 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.909 -33.750 14.453 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -10.263 -32.807 2.475 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -10.525 -33.604 2.966 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -9.617 -32.366 3.073 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -14.683 -33.862 3.842 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -14.480 -34.797 3.624 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -14.098 -33.666 4.617 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -15.893 -34.766 6.529 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.075 -34.235 6.461 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -16.006 -35.140 5.640 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -12.798 -36.405 9.408 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -13.338 -36.003 10.122 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -11.898 -36.450 9.786 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -8.971 -38.846 19.261 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -9.100 -38.938 20.208 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -8.797 -37.882 19.136 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.651 -37.441 1.433 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.893 -38.140 0.815 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -11.898 -37.823 1.945 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -10.469 -34.037 4.965 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -11.221 -33.519 5.314 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -9.739 -33.381 4.890 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -13.070 -36.200 6.694 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -12.971 -36.262 7.669 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -13.137 -35.231 6.519 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -21.763 -29.012 9.954 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -21.363 -29.681 9.350 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -22.499 -29.478 10.366 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -17.997 -28.016 12.385 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -17.394 -28.748 12.158 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -17.394 -27.277 12.625 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -23.147 -24.802 10.070 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -23.085 -23.952 10.559 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -23.487 -25.433 10.744 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -21.771 -26.661 8.508 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -22.188 -25.977 9.076 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -21.791 -27.470 9.060 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -19.907 -28.406 7.096 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -20.340 -29.239 7.381 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -20.489 -27.703 7.449 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -19.932 -25.843 0.103 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -19.624 -26.630 -0.395 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -20.510 -25.383 -0.518 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -12.693 -27.786 26.386 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.721 -28.644 25.916 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -11.737 -27.660 26.584 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.253 -31.922 19.121 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.950 -32.440 19.537 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.069 -32.401 18.278 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -17.748 -31.252 28.536 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -18.296 -30.465 28.324 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -18.002 -31.899 27.877 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -9.369 -31.402 22.253 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -8.506 -31.015 22.075 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -9.509 -31.245 23.206 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -8.601 -28.381 24.817 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -8.032 -27.574 24.715 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -9.109 -28.209 25.656 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -11.254 -33.730 27.946 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -11.763 -32.893 27.919 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -11.140 -33.969 27.002 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.483 -32.470 21.337 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -12.597 -32.786 21.044 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -13.930 -32.211 20.512 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.331 -29.060 27.925 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -20.069 -28.486 27.651 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -18.989 -28.635 28.743 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.446 -25.119 20.124 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -14.527 -24.809 19.939 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.638 -25.743 19.401 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -14.897 -33.443 16.901 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -14.204 -34.118 16.892 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.022 -33.220 15.961 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.188 -30.298 25.358 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -11.215 -30.316 25.267 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -12.498 -31.006 24.759 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -16.649 -29.521 18.398 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -16.094 -30.239 18.760 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -17.464 -29.538 18.957 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -18.514 -27.377 32.915 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -19.395 -27.186 33.304 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -17.930 -26.681 33.297 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -8.914 -32.068 27.979 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -9.161 -31.119 28.141 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -9.748 -32.489 27.716 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.110 -32.533 24.021 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -14.014 -32.767 24.258 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -13.122 -32.511 23.032 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -21.110 -26.981 27.299 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -22.044 -26.818 27.469 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -20.644 -26.491 28.025 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -21.341 -28.130 22.713 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -20.713 -27.403 22.559 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -21.204 -28.368 23.638 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -18.328 -27.971 30.259 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -18.549 -27.740 31.189 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -17.539 -28.534 30.341 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -13.899 -30.443 14.531 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -13.045 -30.524 14.972 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -14.214 -31.366 14.451 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -10.850 -33.280 21.003 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -10.627 -34.032 21.598 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -10.343 -32.523 21.381 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -18.965 -29.143 19.747 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -19.783 -29.616 20.022 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -19.196 -28.201 19.840 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -21.417 -29.948 20.659 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -21.450 -29.304 21.402 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -22.336 -30.161 20.491 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -17.132 -26.743 18.313 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -17.837 -26.732 18.998 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -16.891 -27.691 18.234 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -19.244 -26.364 20.000 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -19.794 -25.592 19.761 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.228 -26.349 20.984 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -18.756 -27.373 15.033 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -18.407 -28.191 15.450 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -18.701 -27.556 14.078 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -13.888 -29.383 30.265 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -13.701 -29.208 31.213 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -13.431 -30.212 30.086 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.254 -28.093 14.978 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -16.054 -28.536 15.334 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.611 -28.821 14.868 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -17.391 -29.627 15.715 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -17.202 -29.810 16.660 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -17.381 -30.512 15.290 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -16.681 -31.816 30.991 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -17.049 -31.684 30.088 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -16.749 -30.925 31.407 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -12.557 -34.600 15.185 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -11.794 -34.537 15.775 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -12.185 -34.968 14.348 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -20.900 -24.224 19.205 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -20.990 -24.821 18.437 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -21.344 -23.405 18.915 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.041 -29.197 32.856 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -13.119 -29.891 33.527 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.115 -28.892 32.936 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -9.445 -30.969 24.991 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -9.224 -30.003 24.985 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -8.604 -31.401 25.264 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -9.971 -34.935 23.034 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -10.135 -34.612 23.939 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -9.077 -35.299 23.067 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -12.013 -31.115 27.983 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -11.266 -30.503 28.195 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -12.338 -30.794 27.112 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -19.793 -25.848 29.336 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -19.154 -25.112 29.209 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -19.260 -26.558 29.751 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -15.763 -25.541 29.935 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -15.365 -26.211 29.331 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.787 -25.981 30.790 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -19.464 -27.297 25.145 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.835 -27.910 25.551 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -20.073 -27.061 25.878 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.539 -27.470 28.452 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.913 -27.631 27.713 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.363 -28.209 29.080 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -18.359 -22.053 26.795 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.690 -22.127 25.876 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -18.929 -22.646 27.302 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -13.062 -28.424 37.865 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -13.239 -29.384 37.951 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -13.414 -28.197 36.987 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -13.607 -31.097 37.890 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.568 -31.776 38.573 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.527 -31.160 37.540 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -20.441 -24.855 36.177 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -19.783 -24.139 36.323 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -20.492 -25.314 37.035 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -16.524 -25.749 39.495 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -16.273 -26.455 40.122 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -15.921 -25.022 39.708 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -14.718 -28.446 35.360 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.597 -28.462 35.800 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.636 -29.339 34.966 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -17.953 -33.073 35.918 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -18.819 -33.486 35.920 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -17.634 -33.186 34.993 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.035 -26.446 40.460 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -18.275 -26.037 39.992 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -18.695 -27.298 40.763 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -18.524 -22.893 36.506 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -17.837 -22.613 37.116 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -18.426 -22.285 35.740 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -16.920 -33.345 33.379 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.147 -32.886 32.548 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -15.980 -33.552 33.282 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -20.741 -26.658 38.322 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -20.167 -26.574 39.115 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -21.625 -26.777 38.682 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -16.778 -29.411 32.215 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -16.014 -29.319 32.796 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -17.442 -28.794 32.591 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -17.078 -28.692 36.640 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -18.047 -28.590 36.467 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.972 -29.642 36.855 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -16.990 -25.415 34.065 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -17.184 -24.473 34.035 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -16.760 -25.583 35.002 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.821 -28.673 42.119 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.689 -28.219 42.056 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.894 -29.211 42.913 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -20.843 -26.594 34.174 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -21.669 -26.344 33.750 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -20.688 -25.877 34.839 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -19.679 -28.137 36.223 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -20.101 -27.653 36.960 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -20.092 -27.761 35.423 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -14.351 -32.515 32.168 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -13.565 -32.352 31.605 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -15.115 -32.323 31.576 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -14.675 -31.048 34.430 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -13.766 -31.195 34.778 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -14.713 -31.608 33.620 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -16.099 -31.304 36.741 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -16.811 -31.981 36.635 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -15.701 -31.239 35.846 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -16.344 -26.068 36.707 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -16.467 -25.790 37.636 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -16.684 -26.990 36.689 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -16.107 -6.538 -9.389 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -15.832 -6.948 -10.232 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -16.876 -5.989 -9.631 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -12.346 -21.732 -6.899 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -12.185 -22.229 -7.711 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.327 -21.622 -6.876 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -10.735 -12.467 -13.632 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -10.183 -13.048 -13.069 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -11.307 -13.074 -14.109 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -11.400 -10.985 -5.647 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -10.917 -10.169 -5.903 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -12.333 -10.685 -5.542 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -12.760 -14.229 -4.794 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -12.499 -15.121 -5.114 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -12.356 -13.624 -5.434 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -15.762 -17.409 -8.144 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -15.276 -17.700 -7.339 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -16.410 -18.106 -8.291 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.092 -8.144 -7.470 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -15.670 -8.909 -7.245 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -15.563 -7.692 -8.205 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -23.285 -12.403 -3.649 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -23.881 -13.154 -3.758 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -22.558 -12.750 -3.112 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -21.077 -8.606 -5.846 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -21.562 -7.973 -5.293 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -20.894 -8.108 -6.674 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.656 -9.504 -4.801 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.504 -9.174 -5.165 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -18.890 -10.347 -4.383 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -9.561 -19.456 -2.817 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -9.343 -19.232 -3.747 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -10.440 -19.885 -2.874 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -11.266 -14.193 -10.126 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -10.883 -13.889 -9.288 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -12.205 -13.939 -10.061 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -16.565 -10.144 -6.413 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -16.719 -11.108 -6.512 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -17.304 -9.843 -5.837 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -13.969 -10.228 -5.400 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -14.864 -10.186 -5.790 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.114 -10.597 -4.502 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -11.590 -13.162 -7.232 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -12.435 -13.147 -7.728 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -11.564 -12.290 -6.774 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -20.650 -7.020 -8.088 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -20.240 -6.133 -7.989 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -21.526 -6.834 -8.451 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -16.358 -14.769 -8.700 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -16.902 -14.895 -9.484 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -16.141 -15.683 -8.408 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -15.014 -21.172 -6.925 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -15.861 -21.485 -6.594 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -14.973 -20.236 -6.635 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -14.915 -7.802 -11.616 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -14.556 -8.059 -12.481 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -14.187 -8.000 -10.992 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -22.355 -7.394 -3.286 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -21.664 -7.606 -2.620 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -22.865 -8.234 -3.381 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -14.102 -11.196 -2.878 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -14.586 -10.902 -2.077 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -13.187 -11.330 -2.566 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -12.816 -16.454 -8.595 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -12.114 -16.455 -9.265 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -13.499 -17.038 -8.960 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.934 -12.889 -6.300 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -16.280 -13.111 -5.599 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -16.724 -13.503 -7.026 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -15.147 -23.670 -3.523 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -14.999 -24.318 -2.801 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -15.650 -24.159 -4.177 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.235 -13.361 -4.143 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -14.395 -13.813 -4.391 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -14.938 -12.579 -3.630 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -12.403 -8.286 -10.417 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -12.118 -9.088 -10.879 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -11.799 -7.587 -10.757 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -13.749 -13.851 -8.837 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -14.726 -13.889 -8.830 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -13.475 -14.753 -8.571 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -12.366 -8.187 -7.717 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -12.285 -8.310 -8.686 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -13.299 -8.433 -7.525 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -14.579 -18.642 -5.989 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -14.984 -18.576 -5.087 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -13.623 -18.716 -5.813 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -11.841 -25.284 -2.252 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -11.243 -25.908 -2.732 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -12.730 -25.575 -2.493 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -12.335 -20.187 -2.839 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -12.201 -20.129 -1.868 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -13.181 -20.652 -2.931 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -13.241 -7.051 -15.754 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -13.021 -7.622 -14.986 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -12.607 -7.312 -16.431 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -22.055 -4.058 -9.618 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -22.713 -4.119 -10.316 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -22.022 -3.099 -9.402 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.677 -4.456 -8.315 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -20.516 -4.231 -8.776 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -19.001 -4.441 -9.028 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -15.457 -21.293 -2.254 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -15.282 -22.081 -2.819 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -16.045 -21.641 -1.540 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -16.062 -21.490 7.371 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -16.595 -21.842 6.632 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -15.421 -22.205 7.558 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -10.318 -10.263 6.660 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -11.140 -9.714 6.672 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -10.646 -11.183 6.730 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -18.477 -7.066 4.017 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -19.287 -7.067 4.538 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.901 -6.407 4.471 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -19.733 -22.737 3.533 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.648 -22.444 3.628 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -19.205 -21.982 3.864 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -12.138 -20.182 -0.050 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -11.994 -19.684 0.781 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -11.849 -21.093 0.169 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -18.067 -19.002 6.471 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -17.112 -18.850 6.591 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.122 -19.529 5.650 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -23.446 -23.293 7.791 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -23.322 -23.863 8.582 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -24.382 -23.385 7.579 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -15.175 -18.992 6.644 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -15.535 -19.868 6.905 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -14.218 -19.061 6.854 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -17.247 -7.841 10.181 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.403 -8.720 10.595 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -17.886 -7.264 10.614 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -20.121 -25.453 4.253 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -20.685 -25.311 5.054 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -19.808 -24.555 4.023 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -15.353 -11.078 2.480 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -14.869 -11.917 2.616 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -16.040 -11.305 1.814 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -12.826 -14.157 4.701 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -13.142 -14.956 5.169 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -12.368 -13.643 5.389 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.145 -17.600 2.883 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.620 -17.576 3.723 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.192 -17.631 3.146 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.968 -19.208 8.477 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.306 -19.002 7.776 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.607 -19.810 8.032 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.468 -10.246 11.601 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -17.824 -10.334 12.522 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -17.797 -11.033 11.150 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -15.566 -15.908 0.685 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -15.770 -16.532 1.413 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.816 -16.400 -0.130 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -17.204 -11.558 0.572 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -17.437 -12.489 0.354 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -18.001 -11.046 0.313 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -13.630 -26.976 0.370 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -14.433 -27.106 0.926 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -13.971 -26.558 -0.444 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -15.265 -10.058 -0.650 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -15.789 -9.233 -0.548 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.836 -10.753 -0.253 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -21.631 -24.885 6.399 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -22.206 -24.176 6.747 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -21.624 -25.556 7.112 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -16.594 -16.867 -1.689 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -17.420 -17.363 -1.676 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -16.818 -16.041 -2.186 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -21.980 -20.930 7.826 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.436 -21.792 7.734 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -22.469 -20.476 8.532 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -16.767 -18.177 12.084 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -17.582 -18.547 11.669 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -16.080 -18.281 11.397 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -16.672 -20.040 1.693 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -15.945 -19.963 1.034 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -16.702 -19.157 2.112 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -22.434 -19.163 10.003 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -21.734 -18.701 9.509 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -21.944 -19.766 10.605 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.764 -22.902 5.117 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -15.938 -23.039 4.639 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -17.049 -23.812 5.365 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -13.137 -7.146 12.055 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -13.765 -7.830 11.746 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -12.799 -7.499 12.902 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -17.917 -20.641 4.153 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -17.533 -20.543 3.257 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -17.460 -21.427 4.525 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -17.116 -15.237 15.257 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -16.643 -15.134 16.116 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -16.407 -15.477 14.622 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -14.811 -19.604 -0.219 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.039 -20.158 -0.992 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -13.852 -19.740 -0.105 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -17.396 -14.669 -3.087 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -16.562 -14.258 -3.406 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -18.092 -14.117 -3.477 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -20.071 -19.814 14.372 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -20.071 -19.983 13.420 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.450 -19.053 14.480 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -19.040 -13.585 14.292 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -19.675 -14.253 14.021 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.332 -14.098 14.744 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -7.317 -16.663 0.574 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -7.895 -17.424 0.376 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -7.847 -16.115 1.189 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -13.672 -16.385 6.300 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.352 -17.082 6.248 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -13.245 -16.535 7.174 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -14.188 -14.005 8.038 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -13.425 -14.419 8.493 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -14.510 -14.696 7.441 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.905 -12.936 -0.402 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -13.233 -12.268 -0.602 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.957 -12.943 0.575 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -14.840 -9.140 11.040 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -15.403 -8.554 10.506 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -15.474 -9.736 11.482 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -14.044 -13.562 2.270 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.530 -14.383 2.081 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -13.572 -13.752 3.115 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -21.190 -11.384 -5.351 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -22.070 -11.639 -5.028 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -21.296 -10.451 -5.626 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -16.877 -22.231 -0.085 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.394 -22.941 0.358 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -16.933 -21.480 0.535 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.522 -12.454 -1.643 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.289 -12.460 -2.594 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -18.955 -13.144 -1.255 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.410 -23.905 1.392 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.995 -24.605 1.042 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -18.896 -23.547 2.165 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -17.829 -14.179 0.139 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -16.962 -14.629 0.157 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -18.385 -14.717 0.709 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -12.542 -19.176 7.416 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -11.800 -19.757 7.652 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.416 -18.384 7.976 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -13.774 -11.330 7.825 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -13.850 -11.049 8.744 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -14.167 -12.235 7.818 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -20.247 -7.460 -1.423 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -19.884 -6.584 -1.641 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -20.232 -7.488 -0.446 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.927 -12.525 -4.371 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.759 -12.251 -4.825 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -18.285 -12.653 -5.103 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -12.735 -12.752 10.787 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -13.539 -13.251 10.993 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -12.244 -13.339 10.164 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -23.561 -22.496 11.554 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -24.111 -21.749 11.221 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -24.013 -22.782 12.357 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -15.386 -16.149 13.361 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -14.771 -15.857 12.663 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.863 -16.905 12.958 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -21.174 -21.075 11.466 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.520 -21.745 11.160 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -21.971 -21.608 11.686 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -24.840 -20.260 10.666 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -25.555 -19.651 10.466 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -24.027 -19.770 10.411 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -14.396 -17.979 10.467 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -13.833 -17.654 9.729 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.244 -18.948 10.473 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -13.359 -15.638 11.513 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -12.745 -15.404 10.790 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -13.761 -16.484 11.212 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -22.677 -20.485 15.358 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -21.796 -20.367 14.955 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -23.026 -19.593 15.427 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -19.211 -19.088 11.138 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -19.866 -19.782 11.335 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -19.337 -18.907 10.184 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.200 -26.231 13.293 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -15.386 -25.917 12.854 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -15.871 -26.854 13.986 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -21.117 -5.398 -4.678 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -21.664 -6.031 -4.170 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -21.513 -4.523 -4.476 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -7.799 -5.834 5.752 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -7.262 -6.305 6.413 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -7.913 -6.485 5.031 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -12.180 -9.976 10.767 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -12.245 -10.951 10.749 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -13.102 -9.678 10.882 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -11.666 -13.856 16.458 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -12.173 -14.241 15.711 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -12.143 -14.154 17.244 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -9.129 -14.791 1.698 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -9.794 -14.404 2.280 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -8.445 -14.088 1.612 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -11.527 -12.778 7.003 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -12.329 -12.260 7.227 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -11.483 -13.463 7.701 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -13.528 -17.552 3.599 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -12.825 -18.164 3.295 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -13.219 -17.243 4.467 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -15.457 -18.778 -3.438 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -15.709 -18.128 -2.754 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -15.589 -19.646 -3.005 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -11.679 -19.357 2.520 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -11.851 -20.307 2.622 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -10.754 -19.246 2.840 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -11.193 -22.421 1.465 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -10.614 -22.641 2.225 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -11.517 -23.301 1.148 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -9.388 -21.467 -0.333 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -9.903 -21.886 0.386 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -9.633 -21.987 -1.131 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -12.714 -8.993 6.586 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -13.258 -8.182 6.629 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -13.288 -9.690 6.961 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -17.015 -25.530 5.725 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -16.893 -25.808 6.647 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -17.512 -26.265 5.318 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -23.965 -25.688 1.578 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -23.104 -26.058 1.848 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -24.548 -26.447 1.544 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -15.102 -25.565 -1.562 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -15.525 -25.096 -0.827 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.720 -26.315 -1.758 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -16.407 -7.695 -0.048 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -16.929 -6.872 -0.116 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -16.532 -7.979 0.885 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -24.072 -26.150 12.287 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -23.414 -26.093 13.009 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -24.840 -26.553 12.699 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -20.953 -24.971 16.530 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -21.394 -25.472 15.809 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -21.463 -24.131 16.585 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -11.904 -12.419 13.429 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -12.189 -12.461 12.497 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -12.274 -13.231 13.828 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -17.916 -16.301 22.429 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.148 -16.761 22.018 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.504 -16.118 21.684 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.684 -13.264 27.075 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.531 -13.749 27.102 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.699 -12.809 26.213 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.416 -15.977 23.236 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.194 -15.490 23.582 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.168 -16.581 23.965 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -20.720 -19.775 24.203 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -21.544 -19.283 24.255 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -20.023 -19.090 24.327 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.721 -17.506 21.250 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -15.142 -16.973 21.831 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.087 -18.085 20.748 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -14.547 -12.683 24.241 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.316 -13.281 24.110 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.770 -13.251 24.071 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -16.301 -25.359 22.770 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -17.194 -25.715 22.642 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.927 -25.318 21.865 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -17.158 -16.990 18.898 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -17.396 -17.818 18.439 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -16.632 -17.282 19.667 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -10.728 -14.164 29.095 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -11.130 -14.008 28.209 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -9.777 -13.961 28.963 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -18.212 -17.736 14.404 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -17.775 -17.674 13.534 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -17.962 -16.907 14.859 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -16.475 -20.178 15.099 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -16.743 -19.459 14.505 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.108 -20.856 14.506 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.665 -17.821 29.978 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -13.885 -17.230 29.906 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.344 -18.576 30.513 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -16.563 -14.607 24.198 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -17.208 -15.090 23.636 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -16.952 -14.644 25.099 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -11.804 -10.661 17.329 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -11.895 -10.680 18.314 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -12.700 -10.824 17.007 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -9.195 -12.013 32.130 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -10.138 -12.258 31.983 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -9.083 -11.200 31.626 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -13.987 -19.899 31.691 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.488 -20.670 31.407 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -13.499 -19.576 32.485 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -17.793 -24.048 28.856 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -17.065 -24.534 29.310 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -17.336 -23.444 28.257 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -12.954 -14.888 14.219 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.799 -15.276 14.510 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -12.860 -15.195 13.294 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.721 -20.972 19.837 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -16.883 -20.240 20.448 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.725 -21.018 19.776 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -14.415 -20.803 22.575 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.348 -21.078 22.590 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -14.189 -20.775 21.620 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -19.428 -21.386 16.551 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -18.881 -20.753 17.062 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -19.629 -20.906 15.718 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.323 -14.448 26.872 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -17.499 -15.156 27.536 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.928 -13.741 27.120 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -16.782 -20.018 27.694 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -17.292 -19.578 28.384 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -17.392 -20.709 27.346 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -19.983 -23.560 21.796 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -20.563 -23.734 21.029 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -19.092 -23.435 21.395 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -19.399 -22.153 24.140 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -19.792 -22.663 23.399 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -19.912 -21.309 24.149 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -18.852 -17.822 24.550 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -18.039 -18.026 25.027 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -18.561 -17.251 23.809 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -11.651 -12.944 31.393 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -11.252 -13.424 30.634 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.522 -12.648 31.050 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.279 -14.321 23.764 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -11.414 -14.799 23.758 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.921 -14.984 23.420 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -8.285 -4.597 26.847 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -9.175 -4.511 26.492 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -8.416 -4.914 27.745 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.584 -15.174 17.519 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -14.791 -15.744 17.594 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -16.251 -15.625 18.080 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -12.134 -10.806 20.033 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -11.597 -11.400 20.587 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -12.790 -10.443 20.649 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.714 -17.164 17.615 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -13.732 -17.640 18.479 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -14.018 -17.820 16.981 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -14.219 -20.353 27.011 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.959 -19.443 26.822 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.135 -20.268 27.377 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -17.511 -23.391 20.658 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -17.274 -22.544 20.209 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.785 -24.005 20.409 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -18.249 -16.071 28.906 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -17.854 -16.677 29.574 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -19.186 -16.284 28.924 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -16.868 -22.042 23.001 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -17.722 -21.976 23.481 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -17.071 -22.613 22.233 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -21.864 -22.482 17.125 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -20.991 -22.050 16.999 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -22.483 -21.911 16.624 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -18.588 -10.930 13.994 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -18.780 -11.898 14.035 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -18.714 -10.629 14.898 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -13.977 -12.702 29.891 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -14.565 -13.348 30.320 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -14.172 -12.793 28.940 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.516 -15.629 33.837 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -16.379 -15.207 33.910 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -15.213 -15.399 32.929 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -12.613 -15.992 30.146 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -11.946 -15.400 29.733 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -12.219 -16.225 31.018 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -17.254 -17.842 30.729 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -17.239 -18.432 31.507 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -16.325 -17.853 30.404 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -16.492 -19.547 32.836 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.711 -19.838 32.323 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -16.107 -19.101 33.624 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -7.829 -12.884 34.353 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -8.372 -12.480 33.646 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -6.997 -13.127 33.905 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -11.965 -13.860 26.632 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -12.022 -13.913 25.664 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.884 -13.686 26.918 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -11.806 -16.772 32.629 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.110 -17.578 33.100 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -10.819 -16.832 32.664 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -19.324 -26.107 22.705 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -19.331 -26.412 23.645 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -19.652 -25.186 22.747 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -17.555 -19.582 17.605 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.132 -20.158 18.272 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -17.042 -19.744 16.783 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -13.572 -10.574 22.656 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -14.057 -11.267 23.155 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -13.904 -9.748 23.018 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -15.012 -15.055 31.174 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.589 -15.661 30.690 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -14.110 -15.287 30.864 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.212 -18.221 34.862 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -15.265 -18.165 35.842 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -15.283 -17.289 34.564 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -12.715 -16.927 37.781 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -11.748 -16.747 37.877 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -13.007 -16.281 37.095 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.106 -18.170 37.593 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -14.261 -17.667 37.679 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -15.522 -18.081 38.458 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -18.145 -20.977 34.556 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -18.893 -20.375 34.512 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -17.524 -20.637 33.878 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -9.524 -14.517 35.711 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -10.305 -14.427 35.124 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -8.908 -13.815 35.396 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -13.446 -15.300 35.690 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -12.754 -14.803 35.211 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -14.183 -15.354 35.053 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -12.719 -19.015 33.949 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -13.546 -18.757 34.409 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -12.233 -19.555 34.612 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -12.412 -19.335 39.441 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -12.394 -18.460 39.013 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -12.885 -19.905 38.798 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -13.768 -20.641 37.428 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -13.109 -20.618 36.707 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -14.347 -19.877 37.250 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -15.998 -27.022 41.917 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -15.344 -26.289 41.861 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -16.733 -26.644 42.454 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -14.096 -25.189 41.230 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -13.508 -25.896 40.899 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -13.500 -24.428 41.357 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -18.053 -25.642 43.021 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -18.703 -25.620 42.299 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -18.412 -25.046 43.684 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -19.128 4.663 -11.931 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -19.636 3.841 -11.746 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -19.487 5.320 -11.286 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -18.865 9.452 -12.604 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -19.531 8.929 -13.098 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -18.135 9.587 -13.257 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -17.737 0.946 -8.794 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -18.396 0.402 -9.274 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -18.078 0.985 -7.875 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -14.779 -0.859 -14.724 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -15.551 -1.369 -15.063 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -14.017 -1.458 -14.874 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -17.462 -2.066 -11.594 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -16.846 -1.299 -11.654 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -17.089 -2.718 -12.227 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -12.398 7.186 -9.287 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -12.159 6.385 -9.813 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -12.597 7.860 -9.961 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -22.200 3.681 -9.665 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -22.662 4.364 -10.195 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -21.894 4.168 -8.867 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -25.091 5.341 -8.877 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -24.448 5.543 -9.591 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -25.944 5.359 -9.315 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -17.864 -4.497 -10.315 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -17.816 -3.599 -10.705 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -17.868 -5.095 -11.089 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -20.603 7.646 -13.738 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -21.112 7.561 -14.553 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -19.833 7.056 -13.877 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -16.282 10.202 -9.964 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -16.187 10.107 -8.989 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -16.681 9.348 -10.248 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -21.373 4.785 -18.444 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -21.040 5.446 -19.061 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -21.814 4.137 -19.005 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -14.881 7.433 -15.022 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -14.517 8.212 -15.504 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -14.550 6.673 -15.517 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -21.440 5.042 -7.399 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -22.275 5.129 -6.891 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -21.142 5.969 -7.526 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -19.489 -0.351 -10.464 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -18.921 -0.995 -10.934 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -20.215 -0.896 -10.094 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -23.956 5.714 -6.455 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -23.862 6.690 -6.493 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -24.464 5.492 -7.269 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -18.514 5.856 -14.242 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -18.734 5.296 -13.461 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -19.112 5.528 -14.948 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -23.568 8.415 -6.991 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -24.214 8.879 -7.533 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -23.044 9.140 -6.570 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -12.394 6.300 -6.639 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -11.903 6.983 -6.164 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -12.392 6.606 -7.572 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -16.858 -2.377 -15.619 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -17.481 -2.422 -16.352 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -17.293 -2.864 -14.903 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -15.507 1.767 -15.172 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -16.171 1.687 -15.867 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -15.168 0.849 -15.054 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -13.604 10.389 -7.034 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -14.574 10.239 -7.097 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -13.438 11.117 -7.675 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -15.546 -0.202 -12.115 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -15.162 -0.416 -12.989 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -15.635 0.771 -12.125 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -21.041 1.337 -6.216 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -21.417 1.403 -7.117 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -20.100 1.571 -6.331 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -23.630 -0.860 -3.727 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -23.440 0.062 -4.024 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -24.591 -0.927 -3.768 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -13.145 4.036 -5.340 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -13.449 4.413 -4.489 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -12.924 4.830 -5.882 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -20.664 5.100 -15.772 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -21.352 4.579 -15.351 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -20.858 5.025 -16.732 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -21.952 8.075 -11.307 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -21.496 8.794 -10.820 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -21.447 7.995 -12.140 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -16.230 6.516 -12.867 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.686 6.950 -13.566 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -17.062 6.272 -13.335 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -18.183 1.670 -6.184 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -18.256 2.368 -5.495 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -17.994 0.844 -5.672 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -15.919 2.504 -12.481 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -15.985 2.303 -13.438 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -15.232 3.204 -12.431 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -14.986 11.584 -14.431 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -14.995 12.546 -14.412 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -14.737 11.326 -13.509 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -21.108 9.019 -3.724 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -21.899 8.780 -3.227 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -20.558 8.196 -3.708 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -23.793 4.400 -4.050 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -24.001 4.873 -4.885 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -23.833 3.461 -4.290 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -22.599 1.204 -8.571 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -23.512 1.249 -8.265 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -22.472 2.043 -9.070 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -22.169 -0.475 -1.389 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -22.728 -0.512 -2.190 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -22.433 -1.274 -0.881 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -20.636 -1.370 -6.418 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -20.970 -1.947 -5.698 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -20.860 -0.463 -6.122 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -19.987 2.388 -10.833 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -19.934 1.416 -10.713 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -20.765 2.655 -10.304 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -21.582 -1.419 -8.959 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -21.174 -1.528 -8.067 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -21.997 -0.532 -8.923 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -18.258 -0.773 -5.065 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -17.965 -1.466 -4.446 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -18.963 -1.201 -5.587 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -23.742 -5.337 -1.963 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -24.649 -5.647 -1.884 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -23.289 -6.045 -2.463 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -19.043 -4.031 -5.706 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -19.230 -3.976 -6.671 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -19.851 -4.451 -5.334 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -14.406 10.885 -11.882 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -15.120 10.553 -11.300 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -13.613 10.379 -11.599 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -11.245 9.522 -8.367 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -11.531 8.596 -8.452 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -11.871 9.907 -7.728 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -14.219 4.719 -12.467 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -13.961 4.570 -13.408 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -14.896 5.430 -12.516 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -13.831 4.018 -15.045 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -13.095 3.832 -15.637 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -14.437 3.256 -15.167 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -11.236 -1.359 -13.465 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -11.856 -1.654 -14.162 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -11.150 -0.405 -13.609 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -14.763 -4.888 -15.153 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -14.220 -5.702 -15.299 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -15.333 -4.846 -15.930 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -23.429 5.846 -10.982 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -22.886 6.675 -10.932 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -23.631 5.758 -11.919 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -21.013 7.715 -7.966 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -21.934 7.865 -7.668 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -20.634 8.605 -8.010 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -19.364 11.105 -3.617 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -18.565 10.640 -3.881 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -20.029 10.391 -3.501 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -17.472 7.896 -10.838 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -18.027 8.463 -11.420 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -16.928 7.373 -11.466 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -16.296 9.987 -7.244 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -16.508 9.067 -6.995 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -17.104 10.499 -6.996 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -18.327 12.069 -9.613 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -18.218 12.812 -10.217 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -17.596 11.459 -9.847 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -19.582 6.344 -9.902 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -18.865 6.987 -10.072 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -20.193 6.821 -9.302 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -18.944 -7.792 -10.226 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -19.521 -7.550 -9.474 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -18.913 -8.754 -10.198 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -16.353 -4.124 -13.048 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -15.707 -4.324 -13.760 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -16.721 -5.000 -12.809 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -12.485 -8.292 -13.427 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -12.010 -7.551 -13.017 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -11.896 -9.058 -13.282 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -17.370 -6.543 -12.118 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -16.588 -7.131 -12.091 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -18.058 -7.035 -11.613 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -23.801 -9.691 -3.542 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -23.539 -10.635 -3.527 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -24.759 -9.714 -3.621 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -14.151 8.869 -4.854 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -14.585 8.164 -5.364 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -13.838 9.502 -5.541 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -17.473 2.287 1.960 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -18.179 2.931 2.198 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -16.644 2.734 2.247 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -11.948 -3.748 7.086 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -11.013 -3.538 6.848 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -11.876 -4.218 7.930 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -17.569 -3.503 1.997 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -17.532 -3.772 2.924 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -17.685 -2.532 2.034 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -18.936 4.506 2.672 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -19.516 4.827 3.368 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -18.367 5.276 2.458 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -16.938 -5.255 5.482 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -16.128 -4.716 5.434 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -16.972 -5.549 6.414 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -14.178 -6.511 6.485 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -14.946 -6.541 7.087 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -14.140 -5.581 6.197 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -17.205 6.596 2.095 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -16.751 6.439 1.243 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -17.180 7.555 2.204 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -22.858 1.687 -4.185 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -22.193 1.639 -4.910 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -22.333 1.932 -3.396 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -16.914 2.234 -0.766 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -17.137 2.288 0.187 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -17.263 1.360 -1.042 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -13.041 8.297 1.136 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -12.643 8.996 1.660 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -13.849 8.711 0.755 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -15.431 12.258 0.569 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -14.702 12.857 0.762 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -16.218 12.808 0.638 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -17.473 -3.062 -3.760 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -17.733 -3.563 -2.968 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -18.070 -3.403 -4.467 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -19.907 -2.098 -1.875 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -20.654 -1.517 -1.625 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -19.114 -1.556 -1.682 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -18.105 -0.458 2.010 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -17.642 0.409 2.050 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -18.959 -0.286 2.420 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -22.593 -3.114 -0.808 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -23.145 -3.812 -1.227 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -21.813 -3.584 -0.504 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -19.324 -10.023 -0.372 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -19.600 -10.877 -0.780 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -19.559 -9.354 -1.039 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -21.239 2.099 -1.914 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -20.619 2.373 -1.228 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -21.517 1.198 -1.640 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -18.860 3.879 -4.841 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -18.353 4.274 -4.099 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -19.792 4.085 -4.625 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -15.222 9.562 0.097 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -15.364 10.492 0.377 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -15.309 9.593 -0.877 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -15.825 5.559 -0.104 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -16.140 4.712 0.245 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -14.923 5.656 0.288 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -21.183 4.413 -3.402 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -21.134 3.607 -2.848 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -22.151 4.543 -3.548 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -17.574 4.983 -2.718 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -16.880 5.667 -2.600 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -17.332 4.287 -2.087 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -18.160 -5.594 0.282 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -17.988 -4.906 0.964 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -18.685 -6.277 0.757 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -15.741 7.022 -2.403 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -15.750 6.748 -1.459 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -15.766 7.999 -2.370 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -21.558 -2.685 -4.170 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -22.362 -2.169 -3.949 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -20.968 -2.546 -3.405 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -19.515 -7.740 1.326 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -19.241 -7.757 2.260 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -19.436 -8.671 1.033 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -19.765 6.706 -3.398 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -20.379 5.936 -3.412 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -18.918 6.322 -3.114 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -11.980 7.913 -3.402 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -11.364 8.619 -3.179 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -12.724 8.371 -3.845 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -19.245 3.486 -7.986 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -19.992 4.098 -7.812 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -18.952 3.213 -7.099 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -14.274 2.669 -1.459 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -14.189 3.629 -1.504 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -15.219 2.520 -1.237 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -15.578 4.217 2.469 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -14.684 4.541 2.241 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -16.055 5.015 2.749 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -17.901 -0.433 -0.770 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -17.321 -1.224 -0.870 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -18.087 -0.399 0.187 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -16.626 -2.785 -0.598 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -16.811 -3.214 0.255 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -16.150 -3.468 -1.112 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -14.456 -3.741 5.857 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -14.583 -2.907 5.389 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -13.623 -3.608 6.362 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -10.132 -8.636 16.430 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.695 -8.256 15.727 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -10.719 -9.272 16.884 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -7.479 -6.113 14.082 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -6.781 -5.933 13.407 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -7.378 -5.395 14.717 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -11.513 -6.287 9.930 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -11.203 -7.128 9.560 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -12.142 -6.552 10.630 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -16.422 -6.115 8.121 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -16.207 -5.410 8.743 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -16.765 -6.839 8.688 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -16.688 -8.543 2.514 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -16.679 -9.464 2.829 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -17.285 -8.078 3.142 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -19.063 -4.763 -2.116 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -18.671 -4.954 -1.234 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -19.494 -3.886 -2.003 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -21.980 10.359 -5.999 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -21.609 11.261 -5.960 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -21.581 9.902 -5.231 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -11.288 -12.030 22.467 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -12.040 -11.412 22.595 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -11.629 -12.888 22.789 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -11.431 -5.041 12.883 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -11.746 -4.133 12.899 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -12.149 -5.539 12.445 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -18.541 11.506 -6.905 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -19.282 11.974 -6.471 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -18.559 11.834 -7.828 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -20.206 10.045 -10.294 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -19.724 9.949 -11.143 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -19.800 10.825 -9.879 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -20.564 12.725 -5.400 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -20.103 12.262 -4.660 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -20.797 13.585 -5.033 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -13.738 12.006 -9.203 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -14.669 11.950 -9.448 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -13.271 12.002 -10.046 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -16.837 9.499 -14.386 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -16.239 10.261 -14.505 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -16.342 8.749 -14.758 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -15.471 9.814 -2.639 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -14.971 9.499 -3.426 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -15.760 10.702 -2.882 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 4.368 -31.117 7.552 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 3.765 -30.504 8.024 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 3.806 -31.516 6.864 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -0.627 -31.342 7.381 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.145 -30.772 7.162 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -1.286 -31.130 6.683 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -8.017 -38.439 3.393 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -8.003 -38.030 4.280 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -7.098 -38.425 3.112 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -2.612 -33.081 8.263 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -2.310 -33.661 7.546 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -2.008 -32.314 8.213 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -3.000 -35.520 2.909 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.767 -35.869 3.804 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -2.634 -36.171 2.301 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -0.005 -32.240 4.225 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -0.797 -32.461 3.687 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -0.051 -31.281 4.325 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -8.678 -36.488 8.548 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -8.272 -35.606 8.421 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -8.568 -36.928 7.679 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -0.535 -28.241 3.316 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 0.376 -28.287 3.685 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.913 -27.430 3.707 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -2.123 -36.338 5.325 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -1.613 -35.546 5.611 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -2.274 -36.828 6.138 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -13.189 -34.851 0.661 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -12.509 -34.509 0.043 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -12.890 -35.762 0.871 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 1.908 -28.357 4.652 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 1.943 -28.966 5.425 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 2.707 -27.791 4.757 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 5.771 -32.077 12.734 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 5.207 -31.459 12.232 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 6.461 -31.503 13.136 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 6.756 -32.267 7.828 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 5.881 -31.803 7.802 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 6.546 -33.139 8.230 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 2.237 -33.202 11.517 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 1.778 -32.947 10.686 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 1.542 -33.645 12.046 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -4.811 -31.659 6.780 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -4.485 -32.214 7.505 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -5.746 -31.958 6.646 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -7.399 -34.504 11.174 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -7.405 -34.216 10.236 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -8.235 -34.973 11.281 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -2.546 -26.374 4.178 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -3.320 -26.493 3.591 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -2.834 -26.766 5.033 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -4.741 -27.376 2.812 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -4.116 -28.110 3.025 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -5.624 -27.795 2.881 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -1.909 -27.772 0.877 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -2.570 -28.468 0.975 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -1.270 -27.947 1.595 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 0.441 -29.312 -3.550 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 0.758 -29.824 -2.799 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 1.168 -29.336 -4.180 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 1.148 -25.825 5.300 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 2.127 -25.756 5.287 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 0.985 -26.778 5.209 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -7.079 -34.647 4.369 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -7.477 -33.760 4.540 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -7.571 -35.240 4.945 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -2.564 -32.815 3.298 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -2.563 -33.790 3.195 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -3.441 -32.547 2.965 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -3.467 -33.761 16.037 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -3.836 -34.670 16.022 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -4.135 -33.234 16.543 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 2.424 -32.229 5.793 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 1.780 -32.400 5.082 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 2.143 -31.356 6.168 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -6.558 -37.015 14.238 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -7.378 -36.653 14.593 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -6.399 -37.825 14.782 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -8.652 -37.524 5.967 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -8.860 -38.479 6.091 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -9.495 -37.138 5.649 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -3.816 -33.436 10.792 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -3.982 -34.386 10.889 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -3.387 -33.352 9.915 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -5.207 -33.746 2.624 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -4.537 -34.450 2.564 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -5.882 -34.111 3.244 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -0.725 -34.150 6.120 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -0.499 -33.480 5.439 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 0.036 -34.143 6.715 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -3.018 -29.328 3.489 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -2.101 -29.001 3.392 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -2.985 -29.894 4.288 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.291 -32.153 9.183 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.732 -31.272 9.128 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 0.478 -32.042 8.648 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -11.864 -35.353 12.651 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -12.749 -35.449 12.243 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -11.251 -35.719 11.983 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 7.357 -25.849 3.644 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 7.600 -24.953 3.296 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 6.747 -25.654 4.404 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 5.615 -34.397 9.070 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 5.310 -34.465 9.998 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 4.782 -34.381 8.548 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -2.564 -31.133 5.464 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -3.407 -31.280 5.961 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -2.575 -31.821 4.765 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 8.064 -22.297 -1.862 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 7.495 -21.562 -2.197 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 8.399 -22.719 -2.661 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -10.310 -36.568 10.687 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -10.099 -37.439 11.046 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -9.730 -36.492 9.887 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 7.211 -28.527 3.071 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 6.741 -28.511 2.224 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 7.208 -27.591 3.360 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -6.991 -28.953 2.799 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.895 -29.053 3.775 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -6.999 -29.878 2.466 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -9.136 -31.983 0.161 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.211 -31.852 0.441 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -9.590 -32.271 0.983 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -5.334 -25.660 0.812 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -6.196 -26.059 0.562 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -5.022 -26.224 1.558 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.018 -34.751 12.572 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 0.247 -35.666 12.396 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.911 -34.794 12.883 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -2.666 -25.267 0.046 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -2.242 -26.132 0.265 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -3.622 -25.430 0.189 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.117 -33.921 7.907 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 2.525 -33.403 8.482 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 3.029 -33.497 7.033 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -7.635 -27.212 0.711 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -8.586 -27.365 0.619 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -7.357 -27.847 1.409 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -9.939 -33.015 18.355 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -10.133 -32.059 18.353 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -10.260 -33.318 19.229 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -6.012 -38.821 16.160 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -6.660 -39.467 16.526 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -5.468 -38.566 16.933 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -5.156 -35.684 12.259 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -5.555 -36.276 12.934 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -5.930 -35.269 11.824 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -4.144 -36.366 15.687 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -4.160 -36.882 16.523 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -4.935 -36.670 15.205 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -5.472 -32.509 12.739 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -6.291 -33.012 12.633 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -4.921 -32.783 11.971 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -0.624 -33.968 15.879 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -0.408 -34.887 15.671 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -1.603 -33.929 15.816 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 3.894 -30.853 11.041 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 3.332 -31.653 11.092 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 3.457 -30.298 10.349 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -4.499 -37.634 18.179 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -4.977 -36.887 18.605 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -3.961 -38.010 18.902 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -2.649 -35.385 13.429 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -3.448 -35.438 12.865 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -2.949 -35.729 14.292 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -2.401 -25.237 -2.814 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.155 -26.111 -3.192 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.452 -25.397 -1.858 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -11.383 -33.410 -0.868 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -10.666 -32.884 -0.457 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -11.019 -33.676 -1.718 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 7.136 -30.912 5.459 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 7.048 -31.597 6.155 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 6.757 -31.323 4.674 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 4.741 -34.360 11.682 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 3.796 -34.093 11.630 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 5.186 -33.579 12.081 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 8.167 -34.581 10.302 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 7.826 -35.212 10.967 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 7.456 -34.534 9.637 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -9.679 -40.025 5.770 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -10.135 -39.908 4.924 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -9.714 -40.972 5.931 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -7.048 -31.667 2.153 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -7.551 -31.870 2.976 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -6.300 -32.302 2.173 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -1.771 -27.706 -3.788 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -0.963 -28.242 -3.630 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -2.204 -28.144 -4.524 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 6.438 -26.467 1.113 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 6.759 -26.263 2.012 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 6.819 -25.756 0.558 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -7.857 -27.532 -2.040 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -7.560 -27.246 -1.155 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -8.367 -28.356 -1.861 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 2.082 -34.104 20.951 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 1.716 -34.895 20.484 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 1.584 -34.066 21.778 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -1.567 -32.691 25.782 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -2.338 -32.786 25.159 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -1.866 -32.019 26.419 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -6.936 -32.062 25.396 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -6.594 -32.423 24.547 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.534 -32.646 26.077 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -10.811 -33.399 25.252 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -10.298 -32.571 25.154 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -11.653 -33.214 24.780 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -6.983 -35.195 21.610 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -6.570 -34.476 22.143 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -6.391 -35.285 20.831 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.563 -39.418 23.016 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.286 -40.020 22.293 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -4.759 -38.889 23.205 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.368 -35.549 24.936 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -6.006 -36.179 24.534 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.376 -34.775 24.321 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -3.463 -30.590 26.155 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -3.280 -29.873 25.504 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -3.862 -31.299 25.620 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.091 -39.304 25.327 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.560 -39.671 24.599 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.342 -38.423 25.013 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 4.336 -30.177 27.624 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 3.809 -29.401 27.341 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 3.963 -30.916 27.114 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -2.218 -31.903 19.098 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -2.864 -31.606 18.410 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -1.357 -31.604 18.757 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -0.982 -34.263 18.670 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -1.510 -33.464 18.885 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -0.753 -34.148 17.726 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 3.431 -30.831 24.035 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 3.106 -31.148 24.902 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 4.285 -30.400 24.240 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 4.757 -33.758 20.618 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 3.789 -33.924 20.667 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 5.121 -34.574 20.214 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 2.398 -32.822 18.472 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 1.568 -32.347 18.263 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 2.235 -33.211 19.353 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -6.523 -35.015 31.454 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -6.714 -34.678 30.546 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -7.071 -35.805 31.534 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 2.035 -32.561 15.309 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 2.765 -32.986 15.800 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 1.271 -33.149 15.460 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -4.085 -36.857 28.741 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -4.785 -37.465 28.998 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -3.911 -36.336 29.546 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 0.940 -36.001 19.417 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 0.179 -35.420 19.209 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 1.222 -36.338 18.546 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 1.988 -34.603 26.228 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 2.230 -35.328 26.817 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 1.105 -34.863 25.879 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -5.607 -33.831 27.029 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -4.700 -33.700 27.379 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -5.496 -34.498 26.315 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -3.205 -33.684 28.406 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -2.565 -34.234 27.937 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -3.365 -34.167 29.246 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -2.413 -35.224 23.255 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -1.646 -35.262 23.849 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -2.947 -34.476 23.600 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -7.073 -37.147 23.510 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -6.645 -37.969 23.185 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -7.118 -36.571 22.717 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -3.158 -38.289 20.579 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -3.202 -38.354 21.553 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -2.844 -37.367 20.419 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -5.414 -35.300 19.345 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -4.596 -34.787 19.410 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -6.005 -34.749 18.779 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 5.814 -24.193 32.947 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 5.665 -24.931 33.569 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 5.495 -24.543 32.087 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -0.647 -35.226 25.685 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -0.962 -34.302 25.789 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.431 -35.773 25.929 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -4.426 -40.690 20.801 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -4.425 -41.218 20.000 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -3.909 -39.892 20.565 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.087 -36.247 26.267 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.898 -36.010 25.762 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.431 -36.578 27.129 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 1.567 -29.428 22.482 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 0.930 -30.146 22.317 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 2.331 -29.878 22.903 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -2.891 -29.510 28.647 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -2.228 -28.806 28.551 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -3.092 -29.785 27.724 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 1.549 -36.563 16.739 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 2.454 -36.224 16.941 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 1.701 -37.440 16.383 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.900 -33.760 30.336 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -10.483 -33.943 29.567 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -9.001 -33.911 29.990 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -2.167 -32.737 31.800 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -2.798 -32.238 31.240 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -1.334 -32.239 31.721 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -1.103 -27.522 29.495 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -1.520 -27.566 30.382 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -1.152 -26.579 29.251 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 5.378 -29.812 30.066 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 5.005 -30.018 29.174 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 6.211 -30.335 30.100 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -0.700 -31.068 22.103 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -0.333 -31.749 22.712 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -1.178 -31.581 21.434 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -8.377 -36.182 19.319 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -8.070 -35.497 18.696 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -8.174 -35.811 20.196 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 2.425 -31.900 26.382 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 2.416 -32.884 26.380 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 1.838 -31.660 27.111 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -3.355 -37.878 23.373 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -3.121 -37.998 24.304 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -3.177 -36.929 23.205 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 0.444 -32.697 23.930 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 1.278 -32.588 24.408 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -0.239 -32.689 24.633 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -7.870 -40.410 17.342 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -8.246 -41.273 17.525 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -8.296 -39.815 18.004 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.004 -30.725 31.405 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -0.433 -29.971 31.825 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 0.891 -30.760 31.833 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -10.094 -30.153 31.296 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -10.039 -29.912 30.339 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.859 -30.756 31.342 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -5.009 -29.597 31.755 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -5.930 -29.761 31.458 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -4.493 -30.302 31.310 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 1.026 -29.208 29.205 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 0.701 -29.961 29.736 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 0.277 -28.570 29.217 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -12.104 -31.937 30.619 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -12.121 -31.724 29.661 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -11.425 -32.638 30.696 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -3.739 -34.879 30.841 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -4.589 -34.843 31.321 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -3.145 -34.287 31.356 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -2.487 -35.667 20.519 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -1.835 -35.179 19.976 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -2.337 -35.343 21.431 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 4.454 -33.036 16.738 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 5.163 -32.379 16.922 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 3.804 -32.902 17.475 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -3.877 -31.506 30.073 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -3.856 -32.225 29.410 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -3.507 -30.727 29.588 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 2.607 -30.808 32.375 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 3.176 -30.211 32.895 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 3.208 -31.493 32.061 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 5.989 -35.838 19.353 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 6.568 -35.329 18.729 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 6.593 -36.440 19.796 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 4.877 -33.120 23.269 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 4.894 -33.384 22.321 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 4.350 -32.297 23.277 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 4.069 -35.799 17.338 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 4.279 -34.898 17.036 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 4.696 -35.956 18.072 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.768 -34.467 25.770 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 3.801 -34.484 25.766 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 5.002 -34.081 24.907 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -7.357 -33.921 29.109 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -6.695 -34.095 28.402 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -7.914 -33.196 28.734 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 9.170 -36.292 29.748 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 9.893 -35.880 30.267 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 8.558 -36.616 30.414 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -2.424 -28.314 32.048 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -3.298 -28.631 31.759 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -2.375 -28.581 32.986 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 1.962 -26.349 32.324 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 1.857 -26.738 33.208 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 2.370 -27.068 31.790 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -12.203 -30.757 35.425 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -11.256 -30.510 35.480 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -12.482 -30.846 36.356 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 6.749 -30.569 33.075 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 5.972 -29.998 33.170 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 7.454 -29.966 32.767 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -7.823 -27.962 41.131 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -7.979 -28.889 40.915 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -7.730 -27.959 42.119 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -1.771 -25.150 39.474 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -2.723 -25.346 39.448 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -1.695 -24.275 39.045 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -5.493 -29.902 44.098 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -5.229 -30.059 43.162 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -4.827 -30.364 44.611 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 0.786 -26.377 34.988 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 0.252 -27.153 35.269 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 0.421 -25.634 35.521 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -5.495 -28.485 39.579 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -4.973 -27.690 39.350 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -6.289 -28.128 40.019 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 4.357 -29.487 34.224 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 3.529 -29.225 34.700 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 4.795 -30.097 34.833 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -5.643 -27.795 33.824 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -6.457 -27.438 33.415 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -5.328 -28.462 33.183 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -4.426 -26.058 38.764 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -4.665 -26.063 37.807 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -5.221 -25.674 39.208 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -7.806 -32.609 32.032 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -7.252 -33.414 31.964 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -8.691 -32.903 31.747 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -4.020 -29.370 36.963 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -3.325 -28.854 37.415 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -4.784 -29.304 37.555 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -2.189 -27.605 38.121 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -1.586 -27.120 38.713 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -3.005 -27.065 38.128 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -9.543 -29.932 35.624 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -9.195 -29.754 36.503 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -8.783 -30.350 35.142 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -9.976 -26.149 40.803 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -10.838 -26.610 40.722 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.338 -26.865 40.991 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -7.296 -30.346 30.519 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -7.391 -31.203 30.987 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -8.198 -29.976 30.523 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 3.137 -28.165 30.661 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 3.892 -28.780 30.572 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 2.403 -28.618 30.191 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -7.474 -30.961 34.244 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -7.660 -31.515 33.455 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -6.513 -30.907 34.275 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -2.637 -29.563 34.599 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -2.716 -30.495 34.354 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -3.262 -29.460 35.356 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -4.845 -26.370 36.083 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -5.079 -27.085 35.451 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -4.981 -25.554 35.573 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -10.480 -28.502 33.471 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -10.082 -28.952 34.246 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -10.155 -29.019 32.702 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -12.468 -27.239 40.222 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -12.656 -27.716 39.375 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -12.842 -27.832 40.917 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -7.612 -28.264 43.794 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -6.842 -28.867 43.936 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -7.920 -28.065 44.682 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.763 -30.350 41.511 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -5.029 -29.693 40.834 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -4.113 -30.898 41.065 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -2.540 -25.290 33.977 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -3.448 -24.959 34.127 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -2.553 -26.186 34.334 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -6.324 -15.738 -7.810 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -5.772 -16.468 -8.179 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -5.769 -15.360 -7.099 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -9.225 -14.108 -11.995 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -9.990 -14.236 -11.390 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -8.442 -14.214 -11.409 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.891 -14.499 -8.177 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -1.946 -15.434 -8.485 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -1.225 -14.102 -8.750 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -7.631 -21.376 -5.619 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -8.271 -20.663 -5.464 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -7.666 -21.920 -4.795 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -4.136 -12.853 -7.659 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -3.445 -13.531 -7.823 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -3.658 -12.131 -7.208 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.956 -17.227 -9.391 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 1.565 -17.142 -8.627 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.541 -17.318 -10.148 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -6.107 -12.025 -9.530 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.340 -12.352 -9.009 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -6.538 -12.845 -9.856 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -5.089 -15.003 -5.396 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -5.672 -15.394 -4.716 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.212 -15.414 -5.224 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -9.691 -13.981 -5.237 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.324 -13.779 -5.954 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -9.294 -14.838 -5.503 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -10.424 -10.024 -12.572 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -10.621 -10.882 -13.023 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -9.717 -10.249 -11.933 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.879 -12.810 -4.532 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -2.240 -12.974 -3.641 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -1.997 -11.857 -4.669 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 2.785 -18.615 -5.054 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 2.930 -18.296 -5.962 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 2.001 -18.099 -4.745 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -0.010 -20.762 -3.171 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -0.619 -21.533 -3.163 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -0.461 -20.112 -3.731 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -5.266 -15.570 -11.899 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -5.256 -15.455 -12.856 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -4.612 -16.258 -11.735 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 0.775 -16.957 -4.311 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 0.404 -16.244 -4.863 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.763 -16.598 -3.417 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -9.122 -18.829 -5.453 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -10.062 -18.983 -5.676 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -8.952 -17.907 -5.759 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -2.694 -16.221 -4.606 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -2.578 -16.321 -3.640 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -1.814 -15.929 -4.924 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -7.115 -14.483 -10.222 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -6.426 -14.876 -10.808 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -7.005 -14.961 -9.372 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -8.252 -16.254 -5.909 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -7.701 -16.095 -6.709 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -7.605 -16.313 -5.184 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -0.564 -14.851 -5.703 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -0.950 -14.069 -5.237 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.999 -14.838 -6.582 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -3.150 -10.488 -6.454 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -3.758 -10.154 -7.164 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -2.293 -10.095 -6.672 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -1.716 -17.114 -8.881 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -1.832 -17.630 -8.054 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -0.770 -17.256 -9.124 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -11.911 -19.360 -5.482 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -12.004 -20.190 -6.001 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -12.024 -19.650 -4.546 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -2.576 -18.217 -6.460 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -2.414 -19.030 -5.933 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -2.729 -17.524 -5.784 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 2.712 -20.935 -3.586 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 1.748 -21.033 -3.418 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 2.776 -20.110 -4.119 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -0.658 -9.761 -4.274 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 0.250 -10.042 -4.003 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -0.633 -8.790 -4.197 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 2.140 -14.376 -6.563 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 2.685 -13.751 -6.041 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 1.282 -14.383 -6.107 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -6.345 -18.368 -4.841 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -5.721 -19.002 -5.239 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -7.206 -18.621 -5.208 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -5.059 -20.632 -6.046 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -5.013 -20.574 -7.009 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -5.915 -21.088 -5.874 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -10.399 -22.117 -4.960 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -11.136 -22.092 -5.602 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -9.629 -22.371 -5.489 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -4.431 -17.588 -8.479 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -3.626 -17.321 -8.959 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -4.090 -18.006 -7.668 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.055 -19.984 -0.475 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 0.167 -20.240 -1.412 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 0.406 -19.077 -0.432 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.856 -16.857 -7.390 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.523 -15.985 -7.066 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.806 -16.728 -7.472 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -2.630 -20.401 -4.792 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -2.430 -21.232 -4.312 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -3.522 -20.554 -5.174 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -2.088 -22.584 -3.240 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -2.372 -22.472 -2.306 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -2.119 -23.559 -3.379 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 4.230 -24.927 0.517 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 4.904 -25.563 0.844 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 3.563 -25.484 0.103 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -6.506 -25.309 -3.033 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -6.946 -26.150 -2.792 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -5.607 -25.570 -3.264 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -7.755 -22.910 -3.410 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -8.632 -23.075 -3.011 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -7.277 -23.768 -3.303 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -9.164 -6.747 -15.771 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.672 -7.011 -16.555 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.886 -7.395 -15.086 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -8.404 -8.762 -14.047 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.782 -9.520 -14.068 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -9.220 -9.137 -13.660 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 3.897 -12.653 -5.248 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 3.921 -12.119 -4.426 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 4.194 -12.042 -5.931 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -12.005 -16.598 -5.941 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -12.284 -16.499 -6.875 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -11.927 -17.560 -5.814 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 4.832 -15.137 -4.385 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 4.514 -14.271 -4.706 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 5.764 -14.978 -4.147 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 6.921 -17.619 -2.253 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 5.971 -17.457 -2.449 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 7.018 -18.587 -2.362 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -9.154 -18.692 -0.216 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -9.306 -18.834 -1.177 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -9.266 -19.585 0.170 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 6.905 -24.020 -0.076 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 7.288 -23.420 -0.751 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 5.943 -23.897 -0.165 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 5.112 -21.604 -4.724 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 4.244 -21.490 -4.279 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 4.890 -21.973 -5.582 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -3.713 -8.775 -4.351 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -3.543 -9.341 -5.134 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -3.391 -9.312 -3.597 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -9.838 -8.985 -6.452 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -9.000 -8.472 -6.465 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -10.483 -8.407 -6.902 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -7.942 -10.565 -11.218 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -7.536 -10.799 -12.079 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -7.359 -10.992 -10.558 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -4.919 -9.761 -8.365 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -5.357 -10.467 -8.878 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -5.423 -8.952 -8.596 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.242 -7.855 -11.273 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -8.212 -8.814 -11.056 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -7.994 -7.819 -12.214 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -7.605 -13.653 -14.217 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -7.930 -14.207 -14.932 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -8.179 -13.879 -13.456 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -6.883 -11.066 -13.759 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -7.192 -11.977 -13.985 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -5.966 -11.048 -14.060 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -10.305 -22.997 -2.369 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -10.879 -23.793 -2.294 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -10.495 -22.649 -3.269 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -10.136 -27.009 -3.502 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -10.306 -27.941 -3.673 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -9.251 -27.001 -3.083 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 1.489 -8.031 7.683 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 2.079 -7.797 8.431 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 0.670 -8.310 8.108 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 3.994 -11.493 10.308 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 3.161 -11.681 10.751 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 4.598 -12.215 10.611 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 1.706 -7.003 4.186 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 1.840 -7.582 4.950 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 1.750 -6.116 4.550 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 3.023 -10.243 3.671 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 3.533 -11.056 3.663 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 3.086 -9.930 4.604 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 3.517 -22.337 1.370 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 3.706 -23.262 1.113 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 4.386 -21.883 1.294 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 4.907 -8.258 -2.066 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 4.728 -8.262 -1.092 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 5.786 -7.872 -2.140 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -4.912 -10.481 1.354 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -4.047 -10.260 0.937 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -4.720 -11.270 1.897 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -9.028 -10.858 2.079 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -8.843 -10.652 3.021 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -8.445 -11.611 1.881 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 1.142 -8.488 -0.809 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 1.688 -7.783 -1.212 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 1.395 -8.475 0.140 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 2.089 -8.409 1.835 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 1.832 -7.760 2.527 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 2.345 -9.209 2.349 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -2.698 -22.509 -0.589 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.086 -22.099 0.057 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -2.600 -23.473 -0.436 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 4.567 -7.815 13.301 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 3.789 -8.243 12.890 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 5.336 -8.318 12.943 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -1.215 -21.330 1.458 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -1.122 -20.725 2.222 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.674 -20.899 0.748 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 4.508 -7.994 0.580 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 3.610 -8.124 0.959 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.083 -7.948 1.350 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.390 -10.912 6.973 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -6.981 -10.294 7.453 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -7.004 -11.495 6.482 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.221 -12.884 1.402 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -6.354 -12.683 1.816 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -7.211 -12.380 0.561 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 1.729 -10.120 -3.092 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 1.640 -9.724 -2.204 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 2.661 -10.404 -3.136 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 4.931 -9.649 8.618 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 4.522 -10.356 9.181 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 5.855 -9.639 8.891 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -2.560 -10.563 -2.546 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -2.399 -11.483 -2.262 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -1.775 -10.339 -3.103 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 2.584 -6.749 -2.419 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.366 -7.335 -2.504 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 2.958 -5.863 -2.372 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 4.321 -17.459 -3.051 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 4.366 -16.577 -3.484 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 3.821 -18.008 -3.687 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -6.150 -8.120 1.774 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.392 -7.540 1.649 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -5.782 -9.027 1.637 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 7.464 -11.309 10.697 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 6.747 -11.935 10.965 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 7.685 -11.581 9.794 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 6.749 -9.231 12.491 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 7.063 -9.905 11.859 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 7.267 -9.405 13.305 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 4.258 -21.537 -1.348 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 3.599 -21.364 -2.050 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 3.738 -21.542 -0.529 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 5.828 -25.213 15.121 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 6.431 -25.893 14.753 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 6.418 -24.487 15.374 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 5.761 -20.854 1.225 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 6.644 -20.978 0.824 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 5.927 -20.929 2.193 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 3.340 -9.543 6.289 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 2.608 -9.076 6.739 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 4.030 -9.620 6.976 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -3.076 -10.374 14.704 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -3.562 -10.715 13.917 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -3.737 -9.803 15.165 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 1.098 -8.264 14.897 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 1.458 -8.577 14.047 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.273 -7.300 14.887 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -9.777 -8.584 10.335 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -9.636 -8.061 11.153 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -10.585 -9.112 10.524 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -5.981 -9.625 11.228 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -6.857 -9.334 10.945 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -5.400 -8.892 10.993 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -1.331 -8.102 10.674 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -2.190 -7.895 10.243 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -1.241 -7.425 11.355 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 0.193 -10.270 11.408 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.332 -9.525 11.040 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -0.469 -10.904 11.694 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.304 -7.726 9.750 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 3.935 -7.060 10.050 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 3.863 -8.408 9.314 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -8.277 -9.261 8.157 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -8.698 -8.968 9.001 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -9.037 -9.554 7.605 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -8.475 -10.225 4.665 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -9.162 -10.168 5.365 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -8.314 -9.288 4.409 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -4.475 -12.107 5.403 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -3.639 -11.724 5.693 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -5.158 -11.561 5.851 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -2.503 -23.579 2.313 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -1.897 -22.837 2.091 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -2.277 -24.275 1.667 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -4.958 -22.975 1.305 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -4.071 -23.092 1.706 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -5.197 -23.875 0.994 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -2.542 -9.897 0.137 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -2.610 -9.954 -0.837 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.626 -9.636 0.295 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -3.468 -13.137 24.218 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -4.012 -12.364 24.450 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -2.705 -13.081 24.819 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 6.938 -22.103 27.490 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 6.778 -21.208 27.114 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 6.070 -22.554 27.410 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -1.658 -18.124 27.740 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -2.036 -18.932 28.111 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -1.767 -17.467 28.443 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -4.150 -13.990 27.027 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -3.199 -13.839 26.845 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -4.533 -14.159 26.153 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.120 -16.460 26.988 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 4.182 -16.486 26.699 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.242 -15.552 27.333 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 6.158 -14.161 28.176 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 6.912 -14.131 27.554 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 6.571 -14.220 29.055 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -1.573 -13.230 26.485 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -0.649 -13.172 26.177 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.553 -12.816 27.374 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -2.030 -16.140 30.600 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -1.425 -15.368 30.627 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -2.884 -15.763 30.356 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.939 -11.553 23.770 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.835 -11.602 23.366 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -8.392 -12.094 23.191 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -1.471 -12.141 29.099 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -1.064 -12.831 29.661 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -1.689 -11.417 29.734 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -3.868 -9.258 23.923 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -4.413 -9.933 24.375 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -4.377 -9.048 23.103 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -8.016 -13.549 28.818 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.172 -13.050 28.757 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -7.941 -14.035 29.666 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -7.993 -14.410 31.453 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -7.117 -14.303 31.887 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -8.471 -13.585 31.678 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -0.169 -14.093 30.608 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 0.482 -14.271 31.312 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 0.344 -14.229 29.775 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -9.913 -15.699 23.738 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -9.795 -16.493 23.180 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -9.101 -15.647 24.252 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -1.747 -10.204 31.002 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -1.133 -9.467 30.764 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -2.247 -9.860 31.748 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 6.185 -17.115 29.448 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 5.799 -16.951 28.559 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 7.115 -17.345 29.263 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -3.208 -14.072 21.331 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -3.052 -14.986 21.609 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -3.308 -13.583 22.170 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -5.518 -12.408 28.785 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -5.044 -13.014 28.172 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -4.858 -12.176 29.446 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -1.301 -9.729 23.115 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -2.186 -9.558 23.502 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -0.684 -9.606 23.861 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 2.440 -11.950 28.313 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 3.208 -12.253 27.782 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 2.087 -12.769 28.704 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 5.198 -9.311 18.478 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 5.305 -9.676 17.592 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 6.008 -9.586 18.953 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -7.484 -12.494 25.984 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -7.902 -12.863 26.782 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -8.234 -12.184 25.439 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 3.217 -10.135 26.297 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 2.701 -10.511 27.033 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 3.895 -10.811 26.118 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -1.670 -11.235 20.832 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.618 -10.835 21.725 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -1.365 -10.524 20.236 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 4.643 -7.751 29.874 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 4.839 -6.908 30.298 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 4.412 -8.337 30.601 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -9.159 -16.595 32.713 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -8.737 -15.882 32.187 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -8.624 -16.637 33.530 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -1.913 -17.194 33.171 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -2.126 -16.990 32.236 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -0.925 -17.245 33.186 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 2.153 -15.547 31.475 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 2.116 -16.016 30.617 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 3.114 -15.357 31.596 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 0.753 -17.139 33.127 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 1.281 -16.482 32.620 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 1.397 -17.848 33.339 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -0.900 -9.557 16.331 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -1.614 -9.719 15.686 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -0.220 -9.070 15.817 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -6.126 -6.465 20.290 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -6.971 -5.968 20.383 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -5.444 -5.837 20.588 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -5.351 -8.627 21.757 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -5.697 -7.882 21.219 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -6.110 -8.884 22.326 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 7.114 -9.432 24.587 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 6.443 -8.715 24.536 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 7.845 -9.032 25.066 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 1.333 -14.529 28.425 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 1.627 -15.461 28.430 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 1.295 -14.291 27.475 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 4.850 -15.525 31.320 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 5.518 -14.814 31.300 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 5.192 -16.190 30.689 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 7.154 -13.955 31.277 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 7.331 -14.607 31.990 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 7.793 -13.255 31.433 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -10.087 -16.321 37.700 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -9.956 -15.541 37.119 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -9.357 -16.905 37.479 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 0.169 -10.715 27.407 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -0.544 -11.055 27.980 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 0.981 -11.120 27.774 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -0.150 -8.083 30.407 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 0.794 -7.921 30.332 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -0.551 -7.464 29.755 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 6.604 -5.245 23.358 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 6.330 -5.766 22.578 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 6.430 -5.842 24.108 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -7.076 -9.484 23.746 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -7.885 -10.032 23.764 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.566 -9.791 24.508 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -5.198 -11.159 25.456 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -6.006 -11.715 25.589 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -4.816 -11.087 26.341 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -4.868 -8.989 16.255 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -4.533 -8.249 16.791 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -5.823 -8.797 16.158 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.913 -9.275 19.046 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.961 -9.328 18.063 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -1.727 -8.769 19.301 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 5.308 -7.015 21.663 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 5.169 -6.810 20.718 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 4.427 -6.887 22.070 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -0.341 -24.911 32.328 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 0.375 -25.576 32.400 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -1.000 -25.192 32.996 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -11.085 -20.904 41.206 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -11.586 -20.299 40.600 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -11.157 -20.483 42.070 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 0.672 -17.951 37.333 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -0.107 -17.694 36.785 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 0.849 -17.169 37.870 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 3.102 -18.897 36.508 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 3.462 -18.073 36.109 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 2.234 -18.624 36.873 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 2.152 -28.683 35.510 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 2.044 -27.716 35.477 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 1.277 -29.006 35.806 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -1.624 -17.385 35.953 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -1.763 -17.514 34.994 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -2.198 -18.062 36.372 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 3.756 -16.583 35.147 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 3.165 -15.916 34.779 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 4.607 -16.101 35.279 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -7.270 -22.742 40.764 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -7.026 -22.050 41.383 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -7.929 -22.313 40.175 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -0.179 -20.572 37.430 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 0.559 -21.095 37.091 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 0.192 -19.667 37.527 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -11.750 -23.573 40.802 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -11.514 -22.634 40.974 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -10.936 -24.064 41.004 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -11.497 -20.725 35.779 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -11.335 -21.366 36.502 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -10.633 -20.687 35.303 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -4.123 -21.297 38.765 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -5.035 -21.041 38.471 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -4.227 -21.490 39.704 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -9.009 -21.088 39.376 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -9.661 -20.866 40.073 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -9.560 -21.369 38.620 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -2.791 -19.639 36.996 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -1.877 -19.987 37.069 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -3.297 -20.159 37.659 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.606 -20.439 38.104 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -7.451 -20.603 38.570 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.874 -19.997 37.273 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -5.089 -15.862 34.806 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -4.914 -16.820 34.930 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -4.218 -15.442 34.945 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 1.702 -23.872 34.403 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 1.108 -23.712 35.161 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 1.721 -24.840 34.322 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 4.542 -20.903 37.651 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 3.951 -20.217 37.266 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 5.424 -20.632 37.378 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -2.443 -14.946 34.599 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -1.992 -15.187 35.423 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -2.288 -15.717 34.010 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -7.135 -19.112 35.670 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -6.190 -18.968 35.467 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -7.549 -18.234 35.508 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -7.756 -16.515 35.132 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -8.352 -15.794 35.432 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -6.872 -16.092 35.082 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 3.716 -22.971 39.148 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 3.908 -22.234 38.516 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 4.178 -22.715 39.953 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -1.787 -22.713 38.144 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -1.198 -21.941 38.023 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -2.671 -22.317 38.297 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 1.695 -24.787 38.592 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 1.335 -25.111 39.426 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 2.347 -24.103 38.859 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -9.044 -20.860 34.642 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -8.286 -20.300 34.912 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -8.928 -20.981 33.688 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -9.169 -24.282 39.040 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -9.533 -24.978 39.628 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -8.208 -24.402 39.102 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -5.749 -13.958 32.912 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -5.544 -14.649 33.577 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.866 -13.626 32.633 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -3.129 -13.356 32.427 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -2.817 -13.791 33.248 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -2.355 -12.881 32.102 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.464 -18.574 35.072 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -3.974 -19.026 35.794 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -4.035 -18.888 34.263 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 5.997 -15.063 35.323 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 6.606 -15.293 34.588 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 6.502 -14.451 35.865 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -11.595 -14.309 33.866 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -11.632 -13.665 33.130 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -11.690 -15.179 33.424 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 2.834 -18.869 33.717 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 3.426 -18.107 33.846 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 2.837 -19.318 34.577 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 7.001 -22.552 34.790 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 6.560 -23.126 34.124 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 6.711 -22.913 35.639 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 6.755 -25.465 35.792 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 6.299 -26.115 35.219 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 6.165 -25.382 36.574 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -10.885 -22.553 37.809 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -10.264 -23.181 38.252 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -11.760 -22.826 38.121 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -12.571 -24.858 38.564 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -12.474 -25.771 38.889 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -12.386 -24.306 39.355 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -6.683 -25.323 40.115 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -6.820 -24.423 40.492 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -7.140 -25.915 40.736 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -0.559 -28.493 36.058 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -1.242 -28.919 35.499 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -1.053 -28.199 36.855 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 0.001 -24.240 36.553 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 0.578 -24.492 37.314 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -0.773 -23.814 36.972 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -9.397 1.043 -6.954 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -9.843 0.216 -7.250 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -10.070 1.741 -7.098 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -9.987 5.339 -12.917 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -9.787 4.669 -13.616 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -9.679 6.171 -13.294 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -10.015 1.372 -12.825 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -9.855 0.564 -12.304 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -9.622 2.089 -12.276 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -12.106 1.607 -10.594 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -11.774 1.988 -11.421 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -12.711 2.296 -10.239 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -6.308 -5.023 -8.386 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -6.480 -4.822 -7.438 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -6.556 -4.218 -8.846 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -9.787 0.043 -10.427 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -9.106 0.474 -9.894 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -10.565 0.635 -10.345 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -9.015 3.347 -11.212 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -8.512 3.701 -10.472 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -9.356 4.140 -11.671 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -14.208 9.743 -16.296 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -14.359 10.465 -15.649 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -14.332 10.164 -17.152 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -11.250 3.066 -7.047 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -11.981 3.309 -6.435 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -11.449 3.555 -7.857 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -6.613 -7.645 -8.970 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -7.178 -7.633 -9.770 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -6.376 -6.697 -8.833 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -10.726 -1.178 -7.716 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -10.456 -1.928 -8.268 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -11.635 -0.990 -8.001 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -10.686 -3.932 -12.731 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -10.833 -2.971 -12.893 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -10.563 -4.303 -13.631 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -9.677 3.128 -4.695 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -10.018 3.225 -5.604 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -8.952 2.486 -4.780 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -9.314 3.334 -14.646 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -9.636 2.553 -14.148 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -8.641 2.979 -15.235 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -13.477 5.661 -3.153 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -14.324 6.093 -2.905 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -12.830 6.406 -3.179 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -13.230 -6.158 -6.105 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -12.955 -6.918 -6.666 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -12.480 -6.045 -5.478 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -12.099 9.698 -10.944 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -11.703 9.827 -10.050 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -11.356 9.800 -11.547 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -10.715 -6.531 -11.622 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -10.558 -5.615 -11.930 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -9.816 -6.870 -11.407 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -11.328 3.888 -2.652 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -10.688 3.769 -3.391 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -11.965 4.546 -2.987 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -8.467 0.654 -2.091 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -8.260 0.710 -3.053 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -8.366 1.561 -1.777 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -7.847 0.816 -4.749 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -7.086 0.242 -4.912 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -8.340 0.810 -5.605 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -7.250 -8.135 -6.311 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -6.689 -7.556 -5.764 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -6.956 -7.958 -7.229 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -5.113 -1.445 -3.666 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -4.363 -0.845 -3.609 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -4.721 -2.288 -3.987 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -5.435 -6.678 -4.666 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -4.793 -6.072 -4.261 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -4.991 -7.553 -4.624 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -2.669 -6.143 -3.932 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -2.967 -7.050 -4.135 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -1.759 -6.266 -3.593 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -11.904 5.154 -10.965 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -12.753 4.921 -11.396 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -11.268 5.218 -11.707 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -10.786 -2.468 -10.320 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -10.485 -3.057 -11.035 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -10.300 -1.624 -10.481 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -12.849 -0.810 -9.513 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -12.189 -1.404 -9.925 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -12.716 0.051 -9.973 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -12.884 -2.886 -15.104 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -13.611 -3.547 -15.104 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -12.082 -3.419 -15.284 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -10.533 -4.423 -15.437 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -10.151 -5.330 -15.526 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -10.073 -3.910 -16.111 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -11.079 -6.192 -4.475 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -10.961 -6.743 -3.674 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -10.222 -5.765 -4.598 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -6.649 -4.469 -5.753 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -6.388 -5.318 -5.341 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -6.375 -3.803 -5.111 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -0.200 -7.216 -3.052 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 0.725 -6.931 -3.170 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -0.190 -7.697 -2.206 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -11.891 -5.248 1.799 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -11.680 -4.465 1.245 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -11.982 -4.886 2.701 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -13.476 5.603 1.178 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -12.681 5.113 0.879 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -13.180 6.544 1.216 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -3.703 -7.263 9.533 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -4.576 -6.901 9.776 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -3.682 -7.197 8.572 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -6.341 -6.347 9.778 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -6.349 -6.677 8.855 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -7.256 -5.995 9.912 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -11.557 -4.907 4.578 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -10.614 -4.682 4.501 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -11.822 -4.523 5.435 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -10.351 -3.173 -2.372 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -10.605 -3.373 -1.451 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -9.393 -3.291 -2.383 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -9.236 -5.491 2.535 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -10.145 -5.502 2.172 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -8.766 -4.857 1.976 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -7.157 -1.774 -1.777 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -7.564 -0.885 -1.787 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.406 -1.699 -2.403 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -8.083 -7.669 3.670 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -7.364 -7.877 3.031 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -8.548 -6.900 3.262 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -10.302 -0.589 -0.291 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -10.962 0.132 -0.175 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -9.560 -0.161 -0.755 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -12.056 1.529 -0.298 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -11.741 2.363 0.096 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -12.901 1.777 -0.729 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -10.668 -3.201 0.411 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -9.716 -3.427 0.324 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -10.689 -2.221 0.317 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -8.062 -3.724 -0.126 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -7.742 -2.967 -0.673 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -7.317 -4.333 -0.111 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -6.303 -7.613 7.337 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -5.811 -8.200 6.750 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -7.069 -8.159 7.634 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -4.611 -11.498 12.729 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -4.897 -12.317 12.289 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -5.129 -10.794 12.279 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 1.493 -4.446 17.157 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 1.585 -4.862 16.272 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 0.548 -4.153 17.188 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -7.481 -7.961 16.170 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -8.419 -8.221 16.324 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -7.511 -7.440 15.340 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -5.679 -5.297 12.229 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -4.835 -4.865 12.076 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -5.928 -5.658 11.353 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -11.326 4.258 0.048 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -10.525 4.770 0.194 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -11.340 4.103 -0.927 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 4.334 -7.055 15.849 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 5.236 -6.979 16.219 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 4.477 -7.401 14.932 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -9.373 -3.639 6.139 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -8.839 -4.466 6.061 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -8.738 -2.935 5.976 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -8.870 -5.316 10.042 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -9.744 -5.752 9.980 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -9.080 -4.384 10.138 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 2.209 -8.633 12.145 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 2.493 -8.297 11.269 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 1.534 -9.316 11.930 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -8.461 -8.749 0.371 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -7.654 -8.359 0.754 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -8.657 -9.510 0.953 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -4.731 -12.807 2.739 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -4.137 -13.563 2.741 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -4.776 -12.536 3.684 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -4.019 -3.794 -4.612 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -3.385 -4.440 -4.232 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -4.035 -4.006 -5.554 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -9.649 -10.984 13.848 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -10.488 -11.423 13.568 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -9.665 -10.133 13.398 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -11.624 -7.525 14.412 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -11.705 -6.580 14.603 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -10.881 -7.575 13.773 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 2.207 -5.708 14.804 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 2.495 -5.528 13.902 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 3.009 -6.076 15.243 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 0.118 -4.484 25.388 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -0.139 -5.412 25.577 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 0.230 -4.084 26.281 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -6.044 -4.169 25.395 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -6.889 -4.475 25.799 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -5.848 -3.352 25.857 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 3.325 -2.893 22.375 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 4.168 -2.715 22.864 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 3.586 -3.545 21.682 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 2.733 -4.573 24.586 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 1.785 -4.444 24.816 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 2.936 -3.831 23.986 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 4.144 -7.693 27.173 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 3.789 -8.573 26.926 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 4.398 -7.793 28.118 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 0.622 -9.283 25.173 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 1.594 -9.324 25.182 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 0.353 -9.818 25.958 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 4.964 -6.648 18.998 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 4.796 -7.606 18.851 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 5.627 -6.422 18.316 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -2.469 -6.935 23.925 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -3.066 -6.199 23.668 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -3.058 -7.721 23.953 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -1.075 -6.342 28.533 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.895 -6.670 27.619 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -1.873 -5.811 28.439 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -3.328 -4.963 17.928 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -4.077 -5.507 17.604 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -3.409 -5.004 18.899 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 0.905 0.148 21.817 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 1.758 0.012 21.349 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 1.013 0.988 22.268 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 0.478 -2.570 21.933 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 0.414 -1.590 21.859 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 1.419 -2.729 22.137 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -3.422 -5.308 20.721 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -3.705 -5.102 21.642 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -2.454 -5.122 20.725 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 3.039 -5.171 27.315 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 3.428 -6.068 27.318 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 3.117 -4.882 26.385 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -1.674 -3.425 23.637 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -1.061 -2.977 23.031 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -1.090 -3.803 24.329 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -8.572 -5.227 20.337 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -9.037 -4.499 20.760 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -9.271 -5.770 19.959 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -4.065 -4.787 23.330 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -3.330 -4.156 23.519 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -4.750 -4.567 23.996 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -1.040 -3.580 17.473 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -1.339 -2.780 17.912 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -1.827 -4.176 17.499 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 3.279 -0.665 20.752 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 3.281 -1.428 21.367 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 4.094 -0.766 20.249 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 0.631 -4.121 28.004 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 1.572 -4.396 27.915 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 0.207 -4.868 28.456 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 1.647 -5.531 19.662 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 2.462 -5.086 19.976 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 1.579 -5.265 18.716 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -0.711 -4.817 20.897 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -0.443 -3.956 21.287 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 0.031 -5.048 20.301 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -0.699 -7.030 25.949 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -0.175 -7.821 25.695 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -1.407 -6.981 25.263 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 4.069 -4.361 20.199 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 3.982 -3.686 19.484 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 4.506 -5.121 19.758 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 3.303 -2.706 18.225 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 2.695 -3.296 17.723 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 2.804 -1.890 18.334 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 2.930 -6.834 23.100 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 2.960 -6.042 23.685 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 1.974 -6.974 22.944 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 5.761 -2.684 23.548 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.471 -2.236 24.015 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 6.081 -3.615 23.461 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -5.564 -6.533 17.566 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -6.332 -6.934 17.116 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -5.783 -6.598 18.519 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 0.208 -6.995 22.327 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -0.524 -7.476 22.757 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -0.211 -6.170 21.997 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 2.275 -7.909 17.453 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 3.097 -7.566 17.044 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 1.732 -8.183 16.692 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -9.579 -7.128 12.660 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -8.743 -6.874 13.114 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -10.044 -6.274 12.526 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -3.117 -8.053 20.030 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -3.272 -7.096 20.136 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -3.759 -8.465 20.638 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 11.780 -33.360 8.603 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 12.614 -33.714 8.919 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 11.228 -33.288 9.414 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 11.237 -26.937 11.033 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 11.522 -27.856 11.124 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 11.855 -26.559 10.367 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 9.081 -30.821 7.865 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 8.351 -31.475 7.943 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 9.741 -31.270 7.283 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 9.195 -30.788 10.572 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.669 -31.631 10.761 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 9.268 -30.688 9.599 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 11.886 -30.860 13.368 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 11.082 -30.348 13.159 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 11.597 -31.796 13.311 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 10.342 -28.357 7.085 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 9.971 -29.093 7.601 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 10.135 -28.591 6.158 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 12.841 -30.488 15.846 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 12.578 -30.533 14.895 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 12.913 -29.547 16.025 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.429 -33.196 10.989 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 10.690 -33.373 11.919 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 9.646 -33.780 10.843 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.713 -27.649 14.676 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 10.170 -27.822 15.454 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 10.342 -28.244 13.989 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 10.812 -24.175 5.492 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 10.921 -24.687 6.331 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 10.519 -24.852 4.842 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.552 -29.472 12.935 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 9.440 -29.769 12.006 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.879 -29.990 13.431 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 10.970 -33.427 13.693 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.415 -33.499 14.562 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.167 -33.995 13.786 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 10.765 -32.251 6.355 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 11.387 -32.463 5.655 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 11.127 -32.716 7.149 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 8.661 -34.815 13.786 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 7.950 -34.441 14.346 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 8.187 -35.385 13.155 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 11.288 -25.639 1.767 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 10.846 -25.935 2.593 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 11.377 -26.441 1.246 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 7.154 -27.263 13.867 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 7.622 -27.146 13.017 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 6.358 -27.781 13.635 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 9.048 -27.935 19.745 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 8.640 -27.567 18.936 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.728 -27.347 20.460 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 6.658 -31.341 17.028 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 7.063 -30.466 16.901 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 6.390 -31.348 17.976 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 6.801 -36.106 12.126 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 6.428 -36.975 12.300 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 6.016 -35.520 12.032 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 7.151 -23.013 5.633 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 7.794 -22.987 6.364 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 6.691 -23.878 5.745 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 9.293 -29.153 4.685 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 8.938 -29.943 5.131 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 8.627 -28.959 3.988 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 6.615 -29.844 10.752 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 7.437 -30.374 10.828 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 5.913 -30.504 10.628 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 7.732 -30.961 14.324 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 7.623 -30.281 15.024 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 7.718 -31.804 14.813 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 11.756 -25.490 13.349 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 11.499 -26.249 13.922 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 11.642 -25.836 12.442 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 9.240 -22.723 10.970 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 10.202 -22.601 10.817 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 8.995 -23.454 10.366 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 8.610 -26.199 11.518 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 8.512 -25.741 10.659 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.504 -26.603 11.469 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.021 -25.802 7.636 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 11.810 -25.909 8.211 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 10.768 -26.730 7.403 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 15.034 -26.589 11.198 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 15.557 -27.096 11.824 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 15.187 -25.653 11.457 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 10.019 -26.447 4.055 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.021 -27.382 4.341 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 9.068 -26.235 3.942 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 11.296 -33.566 23.446 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.157 -34.403 23.951 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 12.234 -33.576 23.229 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 10.112 -31.406 22.094 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.183 -31.612 22.248 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 10.592 -32.157 22.493 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.200 -32.131 24.333 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 6.489 -32.668 23.925 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 6.762 -31.292 24.556 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.907 -31.937 26.849 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 11.682 -32.699 27.427 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.193 -31.937 26.169 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 5.412 -31.424 19.414 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 5.192 -32.333 19.718 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 5.280 -30.874 20.212 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 14.069 -28.803 25.812 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 13.788 -29.128 24.951 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 13.972 -27.832 25.744 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 14.390 -30.992 27.451 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.537 -31.385 27.154 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 14.461 -30.160 26.929 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.129 -33.946 28.506 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.027 -34.439 29.345 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.509 -34.394 27.891 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 13.224 -30.296 29.895 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 13.805 -30.396 29.115 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 13.223 -31.184 30.303 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 7.808 -31.144 29.844 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.166 -31.403 28.985 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.603 -30.961 30.388 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 11.085 -28.895 21.320 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 10.410 -28.637 20.653 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 10.816 -29.799 21.594 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 6.418 -27.671 31.392 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 6.006 -28.416 30.900 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 7.341 -27.974 31.551 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.037 -31.361 31.523 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 10.887 -31.801 31.395 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 9.446 -32.071 31.860 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.082 -35.811 25.017 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.473 -35.638 25.769 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 11.342 -36.729 25.133 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 9.330 -35.511 27.127 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.449 -35.212 26.866 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 9.193 -35.919 28.016 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.398 -26.162 25.022 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.997 -26.427 24.164 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.633 -25.226 24.896 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 6.459 -33.629 14.926 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 6.147 -33.179 14.115 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 5.717 -33.525 15.556 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.231 -27.013 31.592 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.871 -26.304 31.339 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.788 -27.780 31.774 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 12.092 -26.777 22.657 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.821 -27.623 22.220 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.187 -26.157 21.926 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 7.512 -34.429 17.601 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 7.223 -34.092 16.739 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.418 -34.061 17.709 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.025 -33.271 17.640 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.235 -32.468 18.125 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 10.779 -33.385 17.026 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.036 -33.037 30.288 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 12.459 -33.234 29.522 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.947 -33.209 29.950 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 7.822 -32.905 32.087 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 7.529 -32.670 31.195 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 7.361 -32.262 32.665 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 12.350 -33.155 16.116 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.225 -33.495 16.326 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 12.478 -32.177 16.066 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 9.747 -32.236 25.295 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.807 -32.226 25.005 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.216 -32.686 24.566 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.909 -29.964 28.441 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.624 -30.093 29.099 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.133 -30.591 27.725 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 13.032 -23.238 24.796 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 12.166 -23.464 24.384 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 13.244 -22.363 24.421 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 9.627 -26.486 24.018 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 10.472 -26.686 23.567 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 9.897 -25.944 24.792 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 11.005 -25.252 26.039 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 11.875 -25.675 25.891 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 11.218 -24.330 26.213 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 7.593 -28.836 16.071 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 7.685 -28.197 16.810 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 7.482 -28.267 15.280 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.259 -34.996 31.056 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 11.992 -34.346 31.063 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.355 -35.474 31.913 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 11.555 -36.296 33.405 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 12.153 -37.018 33.622 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 11.043 -36.158 34.210 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 15.312 -33.192 28.819 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 16.028 -33.627 28.352 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 15.130 -32.386 28.288 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 8.777 -28.889 32.040 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.447 -29.588 31.888 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.256 -28.207 32.569 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.959 -26.975 33.576 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 10.494 -27.133 34.359 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.587 -26.081 33.716 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 6.884 -12.246 -3.252 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.787 -11.934 -3.154 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 6.968 -13.221 -3.260 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 7.459 -15.025 -3.422 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 7.261 -15.789 -2.840 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 8.269 -15.281 -3.876 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 6.357 -20.353 -2.618 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 5.645 -20.654 -2.004 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 6.046 -20.650 -3.502 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.506 -16.302 6.591 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 10.702 -16.783 6.897 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.239 -16.910 6.797 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 13.383 -20.884 7.076 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 12.928 -20.550 6.269 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 12.775 -20.640 7.810 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 12.784 -17.424 9.911 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 12.542 -16.468 9.915 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 13.213 -17.557 9.030 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 11.486 -15.039 10.085 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 11.833 -14.148 9.858 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.614 -15.083 9.615 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 12.695 -18.948 2.798 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 12.221 -18.848 3.648 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 12.295 -18.264 2.214 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 13.133 -25.882 9.383 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 13.876 -26.236 9.929 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 13.458 -25.009 9.075 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 13.648 -17.974 7.391 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 14.241 -17.595 6.698 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 13.755 -18.931 7.292 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 16.019 -21.417 6.769 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 16.341 -20.981 5.970 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 15.069 -21.173 6.807 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.046 -15.179 8.941 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.937 -15.894 8.283 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 8.351 -14.529 8.710 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.740 -12.596 11.754 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 14.604 -12.283 11.467 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.186 -12.549 10.942 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 15.261 -17.441 5.283 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 15.324 -16.837 4.538 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 15.278 -18.331 4.875 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 11.634 -13.802 5.506 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.583 -14.649 6.010 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.434 -14.057 4.602 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 7.009 -13.288 8.537 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 6.308 -13.241 7.880 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 6.532 -13.349 9.395 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 11.901 -22.365 10.377 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 12.449 -22.904 9.769 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 11.788 -21.512 9.901 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 11.664 -19.693 5.295 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 10.956 -19.483 5.947 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 11.303 -20.449 4.788 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.708 -19.735 4.219 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.926 -19.502 5.140 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 9.297 -20.497 4.022 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.901 -23.001 2.081 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.652 -23.917 1.809 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 12.576 -23.137 2.783 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 11.120 -20.602 1.080 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.435 -21.524 1.209 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 11.708 -20.071 1.652 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 11.254 -17.734 0.777 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.448 -17.278 0.453 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 11.175 -18.631 0.421 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 6.817 -14.505 14.507 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 6.790 -14.725 13.551 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 6.118 -13.857 14.618 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 13.684 -23.324 8.493 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 14.610 -23.180 8.787 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 13.544 -22.638 7.812 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.256 -22.572 7.385 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.315 -21.591 7.310 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.897 -22.899 6.732 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 16.194 -22.608 9.223 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 17.095 -22.928 9.348 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 16.228 -22.123 8.363 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 11.613 -20.064 8.949 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 11.762 -19.180 9.330 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 10.846 -19.937 8.335 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 13.704 -20.554 14.080 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 13.515 -21.405 13.627 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 13.624 -19.884 13.372 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 7.603 -18.600 1.988 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 7.702 -19.361 1.386 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.127 -18.853 2.779 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.738 -13.247 12.314 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.999 -13.872 12.101 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.519 -12.443 11.805 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 14.973 -19.901 4.082 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 15.256 -20.638 3.532 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 14.150 -19.581 3.647 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.407 -20.967 0.481 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 9.359 -20.789 0.643 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 8.395 -21.428 -0.389 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 8.743 -17.188 -0.182 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.220 -17.508 0.577 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 8.139 -17.281 -0.946 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.945 -24.717 9.097 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.609 -25.272 8.635 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.877 -23.917 8.534 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.165 -9.867 14.885 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.290 -9.563 15.801 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.666 -10.704 14.841 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 10.519 -15.338 12.592 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 10.907 -15.344 11.683 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 9.876 -14.588 12.568 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 10.088 -17.782 10.288 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 11.002 -17.445 10.277 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 9.751 -17.588 9.381 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.207 -23.604 15.225 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.883 -23.026 14.843 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 11.228 -24.400 14.652 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 15.189 -23.887 11.595 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 15.450 -23.273 10.886 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 14.497 -23.408 12.087 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 13.730 -18.440 12.248 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 13.306 -18.158 11.404 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 14.674 -18.418 12.055 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 8.822 -19.994 11.405 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 9.432 -19.690 10.716 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.782 -20.965 11.279 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.854 -22.945 12.889 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 12.416 -22.698 12.043 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.583 -23.880 13.033 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 4.476 -10.799 -3.254 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 4.686 -9.922 -2.877 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 5.316 -11.305 -3.168 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 5.670 -17.872 3.951 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 6.318 -17.383 4.465 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 6.158 -18.142 3.148 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 6.397 -21.204 3.823 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 6.612 -21.998 4.372 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.157 -20.608 3.964 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 9.623 -12.253 14.730 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 10.516 -12.315 14.338 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 9.038 -12.647 14.049 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 12.134 -12.408 9.563 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.444 -12.234 8.639 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 11.387 -11.809 9.675 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 12.650 -11.786 6.992 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 12.271 -12.532 6.467 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 12.962 -11.167 6.328 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 10.432 -21.821 4.050 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 10.916 -22.106 3.243 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.393 -22.631 4.598 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.159 -23.600 2.334 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 8.587 -22.738 2.290 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.785 -23.728 1.437 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 13.265 -23.343 4.420 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 13.981 -23.699 4.955 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 12.452 -23.634 4.881 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.319 -24.033 13.195 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 8.660 -23.426 12.503 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.322 -24.912 12.759 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 8.663 -24.803 15.844 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 8.553 -24.618 14.889 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 9.562 -24.493 16.041 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 8.369 -18.558 28.399 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.690 -18.289 27.506 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 7.609 -19.131 28.212 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.301 -15.818 24.464 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 9.281 -16.194 23.554 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.926 -15.084 24.400 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 7.480 -21.721 19.424 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 7.680 -21.129 18.671 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 6.529 -21.646 19.535 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 7.087 -18.183 22.538 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 6.531 -18.630 21.891 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 6.524 -18.123 23.338 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 10.580 -20.443 25.453 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 11.294 -20.626 24.804 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 10.803 -21.009 26.221 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 10.863 -22.007 27.686 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 10.771 -21.243 28.299 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 10.193 -22.649 28.008 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 13.406 -19.709 29.735 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 13.819 -19.697 28.862 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 12.447 -19.808 29.545 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 9.440 -16.899 21.993 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 8.615 -17.430 22.101 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 10.143 -17.573 21.855 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 10.632 -16.958 18.216 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 11.442 -17.147 17.702 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 10.859 -16.162 18.737 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.333 -14.143 25.544 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 6.491 -14.347 25.094 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.955 -14.819 25.205 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 4.477 -12.710 26.607 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 5.121 -13.100 27.240 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 4.625 -13.209 25.782 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 10.058 -14.276 21.386 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.657 -14.385 20.615 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.778 -15.191 21.599 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 12.442 -20.801 23.497 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 12.397 -19.880 23.185 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 11.981 -21.309 22.797 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 13.205 -18.501 19.545 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 13.263 -19.479 19.528 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 12.994 -18.260 18.627 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 10.655 -19.856 29.355 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 10.536 -19.837 30.331 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.900 -19.327 29.014 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 12.533 -20.432 16.535 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 12.515 -19.458 16.634 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 13.017 -20.577 15.689 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 7.249 -23.880 23.423 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 7.656 -23.312 24.114 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 6.716 -24.522 23.927 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 7.780 -20.125 17.137 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 8.666 -20.493 16.929 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 7.199 -20.523 16.465 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 11.446 -18.805 21.711 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 11.156 -19.707 21.455 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 12.052 -18.537 20.993 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 11.132 -21.464 21.122 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 11.629 -21.592 20.291 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 10.357 -22.058 21.036 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 13.118 -21.247 19.066 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 12.868 -21.071 18.129 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 13.883 -21.828 19.001 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 15.301 -18.430 16.159 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 15.230 -19.089 15.454 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 16.243 -18.394 16.358 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 8.957 -18.288 25.794 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.125 -17.476 25.270 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.647 -18.922 25.492 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 5.306 -19.558 30.354 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 5.535 -18.646 30.079 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 6.079 -19.856 30.864 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 8.296 -17.363 16.995 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 9.136 -17.297 17.514 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 8.021 -18.296 17.107 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 13.861 -15.901 20.182 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.698 -16.854 20.010 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 14.280 -15.886 21.048 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.869 -23.317 29.052 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.110 -22.867 28.622 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.818 -23.040 29.987 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 11.662 -14.600 19.230 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 12.544 -14.931 19.520 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 11.847 -14.103 18.414 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 9.995 -21.354 16.090 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 10.832 -20.919 16.355 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 10.273 -22.262 15.833 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 12.013 -13.584 16.492 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 12.075 -13.233 15.576 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 12.752 -14.199 16.556 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.590 -23.391 23.592 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 10.164 -23.387 22.716 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 9.866 -23.163 24.208 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 8.766 -11.841 21.143 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 8.291 -11.815 22.006 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 9.348 -12.630 21.220 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 12.028 -13.220 13.772 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 12.699 -12.865 13.140 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 11.672 -14.005 13.320 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 12.778 -17.709 16.720 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 13.756 -17.799 16.615 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 12.465 -17.431 15.823 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 12.064 -17.131 14.164 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 12.639 -17.600 13.527 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 11.607 -16.460 13.626 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 13.882 -22.437 30.332 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 13.796 -22.666 29.374 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 13.986 -21.467 30.333 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 13.490 -22.666 27.645 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 12.531 -22.466 27.653 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 13.665 -22.944 26.729 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 12.768 -17.839 31.709 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 13.498 -17.260 31.952 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 13.131 -18.393 30.986 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 11.977 -22.227 32.334 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 12.605 -22.418 31.602 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 12.484 -22.412 33.134 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 4.758 -25.552 30.822 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 3.926 -26.031 30.965 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 5.445 -26.250 30.874 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.501 -23.402 31.779 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 10.241 -22.828 32.066 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.208 -23.847 32.600 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 14.851 -24.958 30.883 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 14.496 -24.059 30.726 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 15.760 -24.909 30.573 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 5.388 -7.312 24.770 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 4.632 -7.327 24.157 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 4.976 -7.364 25.661 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.492 -11.943 23.572 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 7.513 -12.513 24.360 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 7.295 -11.046 23.929 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 5.249 -17.911 24.642 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 4.417 -17.673 24.174 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 5.279 -17.293 25.405 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 6.560 -21.381 32.195 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 6.550 -22.345 32.081 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 6.865 -21.256 33.110 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 8.582 -22.374 25.243 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 8.080 -22.366 26.082 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 9.135 -21.567 25.286 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.596 -19.622 26.290 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 5.985 -19.080 25.746 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 7.486 -19.286 26.045 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 8.877 -23.172 21.300 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 8.389 -22.707 20.578 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 8.201 -23.298 22.002 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 8.203 -26.179 21.670 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 8.667 -26.189 22.535 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 8.253 -25.252 21.387 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 7.688 -26.676 17.710 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 6.822 -26.392 18.071 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 7.969 -25.928 17.136 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 7.543 -9.720 19.941 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 7.305 -9.177 20.710 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 7.987 -10.512 20.335 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 7.536 -21.828 14.847 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.634 -22.568 14.223 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 8.441 -21.674 15.176 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 6.857 -6.820 16.965 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 7.445 -7.592 17.109 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 7.392 -6.210 16.444 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 10.783 -19.696 32.087 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 11.146 -20.583 32.282 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 11.562 -19.101 32.137 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 4.732 -25.100 37.637 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 3.909 -25.595 37.556 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 4.483 -24.307 38.147 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 9.982 -17.063 32.681 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 9.939 -18.031 32.570 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 10.866 -16.830 32.363 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.552 -15.892 33.194 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 8.466 -16.252 33.098 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 6.981 -16.621 32.918 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 5.421 -26.916 33.862 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 4.951 -27.746 34.066 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 5.834 -27.086 32.990 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 8.877 -24.520 34.303 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 8.641 -23.597 34.512 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 8.239 -25.048 34.837 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 8.607 -8.911 17.539 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 8.234 -9.210 18.400 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 9.521 -8.684 17.745 1.00 0.00 WAT1 END