REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -981.77, 85.1482, 116.363, 44.2576, 565.149, -601.575, -1194.2, 2.94412, 0.138146 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.526514E-03,0.4594,1.09281,42.3659,4.032275E-03,0.122951 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 49, 4 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:13 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 21.038 -2.875 10.613 1.00 11.32 ATOM 2 CB MET 1 19.176 -2.240 9.754 1.00 2.42 ATOM 3 HB1 MET 1 19.429 -1.197 9.885 1.00 37.22 ATOM 4 HB2 MET 1 18.592 -2.564 10.604 1.00 5.34 ATOM 5 CG MET 1 18.308 -2.365 8.504 1.00 33.21 ATOM 6 HG1 MET 1 18.183 -3.413 8.270 1.00 37.22 ATOM 7 HG2 MET 1 18.808 -1.874 7.683 1.00 64.24 ATOM 8 SD MET 1 16.676 -1.623 8.706 1.00 43.33 ATOM 9 CE MET 1 16.019 -2.610 10.053 1.00 64.44 ATOM 10 HE1 MET 1 16.004 -3.650 9.764 1.00 54.41 ATOM 11 HE2 MET 1 15.014 -2.285 10.280 1.00 33.15 ATOM 12 HE3 MET 1 16.642 -2.487 10.927 1.00 1.11 ATOM 13 C MET 1 20.138 -4.558 9.645 1.00 74.51 ATOM 14 O MET 1 19.638 -5.046 8.629 1.00 3.34 ATOM 15 N MET 1 21.324 -2.639 8.558 1.00 71.54 ATOM 16 HT1 MET 1 21.581 -1.635 8.655 1.00 37.22 ATOM 17 HT2 MET 1 20.814 -2.764 7.662 1.00 37.22 ATOM 18 HT3 MET 1 22.198 -3.203 8.526 1.00 37.22 ATOM 19 CA MET 1 20.478 -3.062 9.707 1.00 61.33 ATOM 20 N GLY 2 20.436 -5.274 10.732 1.00 22.32 ATOM 21 HN GLY 2 20.963 -4.851 11.446 1.00 37.22 ATOM 22 CA GLY 2 20.013 -6.666 10.885 1.00 72.43 ATOM 23 HA1 GLY 2 18.933 -6.692 10.936 1.00 37.22 ATOM 24 HA2 GLY 2 20.405 -7.038 11.820 1.00 64.43 ATOM 25 C GLY 2 20.470 -7.601 9.765 1.00 34.33 ATOM 26 O GLY 2 19.819 -7.700 8.723 1.00 65.14 ATOM 27 N HIS 3 21.578 -8.309 9.983 1.00 73.01 ATOM 28 HN HIS 3 22.079 -8.171 10.817 1.00 37.22 ATOM 29 CA HIS 3 22.058 -9.294 9.007 1.00 54.24 ATOM 30 HA HIS 3 21.943 -8.861 8.022 1.00 62.45 ATOM 31 CB HIS 3 23.542 -9.620 9.238 1.00 1.41 ATOM 32 HB1 HIS 3 23.663 -10.044 10.225 1.00 37.22 ATOM 33 HB2 HIS 3 24.120 -8.709 9.170 1.00 63.13 ATOM 34 CG HIS 3 24.097 -10.595 8.239 1.00 43.03 ATOM 35 ND1 HIS 3 24.440 -11.891 8.559 1.00 5.43 ATOM 36 HD1 HIS 3 24.372 -12.300 9.450 1.00 24.03 ATOM 37 CD2 HIS 3 24.354 -10.461 6.914 1.00 72.30 ATOM 38 HD2 HIS 3 24.197 -9.574 6.316 1.00 13.12 ATOM 39 CE1 HIS 3 24.884 -12.508 7.483 1.00 12.41 ATOM 40 HE1 HIS 3 25.218 -13.534 7.437 1.00 4.12 ATOM 41 NE2 HIS 3 24.842 -11.666 6.469 1.00 23.04 ATOM 42 HE2 HIS 3 24.906 -11.931 5.525 1.00 37.22 ATOM 43 C HIS 3 21.217 -10.581 9.076 1.00 41.20 ATOM 44 O HIS 3 20.949 -11.216 8.056 1.00 51.52 ATOM 45 N HIS 4 20.812 -10.957 10.289 1.00 71.21 ATOM 46 HN HIS 4 21.091 -10.430 11.070 1.00 37.22 ATOM 47 CA HIS 4 19.957 -12.132 10.492 1.00 2.31 ATOM 48 HA HIS 4 20.166 -12.835 9.695 1.00 42.23 ATOM 49 CB HIS 4 20.275 -12.803 11.836 1.00 34.21 ATOM 50 HB1 HIS 4 20.219 -12.064 12.623 1.00 37.22 ATOM 51 HB2 HIS 4 21.275 -13.210 11.801 1.00 64.31 ATOM 52 CG HIS 4 19.334 -13.921 12.180 1.00 70.32 ATOM 53 ND1 HIS 4 18.182 -13.730 12.914 1.00 44.34 ATOM 54 HD1 HIS 4 17.879 -12.877 13.294 1.00 24.45 ATOM 55 CD2 HIS 4 19.363 -15.241 11.873 1.00 3.32 ATOM 56 HD2 HIS 4 20.125 -15.753 11.302 1.00 12.51 ATOM 57 CE1 HIS 4 17.546 -14.875 13.041 1.00 31.34 ATOM 58 HE1 HIS 4 16.612 -15.024 13.563 1.00 12.01 ATOM 59 NE2 HIS 4 18.237 -15.805 12.422 1.00 13.52 ATOM 60 HE2 HIS 4 18.005 -16.761 12.407 1.00 37.22 ATOM 61 C HIS 4 18.467 -11.751 10.431 1.00 41.30 ATOM 62 O HIS 4 17.897 -11.245 11.401 1.00 25.32 ATOM 63 N HIS 5 17.839 -12.007 9.289 1.00 14.11 ATOM 64 HN HIS 5 18.339 -12.434 8.558 1.00 37.22 ATOM 65 CA HIS 5 16.426 -11.681 9.093 1.00 72.42 ATOM 66 HA HIS 5 16.206 -10.786 9.658 1.00 12.31 ATOM 67 CB HIS 5 16.153 -11.413 7.610 1.00 12.22 ATOM 68 HB1 HIS 5 15.139 -11.058 7.495 1.00 37.22 ATOM 69 HB2 HIS 5 16.269 -12.334 7.059 1.00 74.14 ATOM 70 CG HIS 5 17.073 -10.396 7.006 1.00 62.12 ATOM 71 ND1 HIS 5 17.943 -10.692 5.982 1.00 75.21 ATOM 72 HD1 HIS 5 18.054 -11.572 5.558 1.00 45.24 ATOM 73 CD2 HIS 5 17.251 -9.079 7.275 1.00 53.30 ATOM 74 HD2 HIS 5 16.733 -8.501 8.028 1.00 43.43 ATOM 75 CE1 HIS 5 18.616 -9.611 5.649 1.00 31.21 ATOM 76 HE1 HIS 5 19.368 -9.549 4.878 1.00 32.31 ATOM 77 NE2 HIS 5 18.216 -8.621 6.416 1.00 4.42 ATOM 78 HE2 HIS 5 18.530 -7.692 6.349 1.00 37.22 ATOM 79 C HIS 5 15.522 -12.819 9.591 1.00 55.53 ATOM 80 O HIS 5 15.529 -13.917 9.036 1.00 1.13 ATOM 81 N HIS 6 14.744 -12.550 10.639 1.00 60.53 ATOM 82 HN HIS 6 14.777 -11.657 11.035 1.00 37.22 ATOM 83 CA HIS 6 13.850 -13.565 11.216 1.00 20.30 ATOM 84 HA HIS 6 14.455 -14.440 11.417 1.00 43.41 ATOM 85 CB HIS 6 13.262 -13.070 12.553 1.00 40.31 ATOM 86 HB1 HIS 6 14.063 -12.983 13.274 1.00 37.22 ATOM 87 HB2 HIS 6 12.547 -13.795 12.913 1.00 52.43 ATOM 88 CG HIS 6 12.565 -11.739 12.479 1.00 44.12 ATOM 89 ND1 HIS 6 11.257 -11.594 12.071 1.00 61.33 ATOM 90 HD1 HIS 6 10.660 -12.322 11.786 1.00 4.33 ATOM 91 CD2 HIS 6 13.000 -10.489 12.773 1.00 72.11 ATOM 92 HD2 HIS 6 13.985 -10.218 13.127 1.00 65.23 ATOM 93 CE1 HIS 6 10.918 -10.323 12.114 1.00 62.53 ATOM 94 HE1 HIS 6 9.954 -9.916 11.849 1.00 60.11 ATOM 95 NE2 HIS 6 11.955 -9.634 12.536 1.00 41.20 ATOM 96 HE2 HIS 6 11.976 -8.658 12.651 1.00 37.22 ATOM 97 C HIS 6 12.730 -13.978 10.233 1.00 35.53 ATOM 98 O HIS 6 11.676 -13.344 10.161 1.00 14.14 ATOM 99 N HIS 7 12.996 -15.023 9.447 1.00 12.01 ATOM 100 HN HIS 7 13.890 -15.430 9.495 1.00 37.22 ATOM 101 CA HIS 7 12.015 -15.588 8.505 1.00 2.10 ATOM 102 HA HIS 7 11.026 -15.303 8.840 1.00 20.43 ATOM 103 CB HIS 7 12.242 -15.035 7.086 1.00 14.31 ATOM 104 HB1 HIS 7 11.664 -15.619 6.383 1.00 37.22 ATOM 105 HB2 HIS 7 13.289 -15.121 6.837 1.00 34.23 ATOM 106 CG HIS 7 11.849 -13.598 6.920 1.00 71.41 ATOM 107 ND1 HIS 7 10.579 -13.208 6.561 1.00 11.14 ATOM 108 HD1 HIS 7 9.825 -13.811 6.375 1.00 2.12 ATOM 109 CD2 HIS 7 12.562 -12.455 7.059 1.00 23.20 ATOM 110 HD2 HIS 7 13.605 -12.380 7.334 1.00 25.14 ATOM 111 CE1 HIS 7 10.525 -11.894 6.488 1.00 4.11 ATOM 112 HE1 HIS 7 9.653 -11.311 6.229 1.00 35.31 ATOM 113 NE2 HIS 7 11.714 -11.410 6.784 1.00 62.23 ATOM 114 HE2 HIS 7 12.002 -10.489 6.591 1.00 37.22 ATOM 115 C HIS 7 12.104 -17.124 8.476 1.00 12.20 ATOM 116 O HIS 7 13.115 -17.683 8.062 1.00 21.11 ATOM 117 N HIS 8 11.039 -17.806 8.893 1.00 11.02 ATOM 118 HN HIS 8 10.234 -17.316 9.164 1.00 37.22 ATOM 119 CA HIS 8 11.041 -19.274 8.953 1.00 21.22 ATOM 120 HA HIS 8 12.015 -19.582 9.311 1.00 62.50 ATOM 121 CB HIS 8 9.978 -19.765 9.951 1.00 42.32 ATOM 122 HB1 HIS 8 8.996 -19.502 9.580 1.00 37.22 ATOM 123 HB2 HIS 8 10.135 -19.279 10.903 1.00 70.52 ATOM 124 CG HIS 8 10.000 -21.248 10.186 1.00 4.32 ATOM 125 ND1 HIS 8 8.869 -22.032 10.159 1.00 71.33 ATOM 126 HD1 HIS 8 7.956 -21.717 9.985 1.00 4.43 ATOM 127 CD2 HIS 8 11.027 -22.092 10.461 1.00 23.12 ATOM 128 HD2 HIS 8 12.069 -21.824 10.560 1.00 3.22 ATOM 129 CE1 HIS 8 9.193 -23.283 10.405 1.00 51.22 ATOM 130 HE1 HIS 8 8.508 -24.115 10.449 1.00 75.24 ATOM 131 NE2 HIS 8 10.494 -23.348 10.589 1.00 44.23 ATOM 132 HE2 HIS 8 11.010 -24.183 10.644 1.00 37.22 ATOM 133 C HIS 8 10.823 -19.906 7.559 1.00 60.43 ATOM 134 O HIS 8 9.888 -20.680 7.346 1.00 0.44 ATOM 135 N SER 9 11.696 -19.568 6.613 1.00 61.25 ATOM 136 HN SER 9 12.373 -18.888 6.816 1.00 37.22 ATOM 137 CA SER 9 11.674 -20.177 5.274 1.00 32.24 ATOM 138 HA SER 9 10.741 -20.714 5.165 1.00 52.55 ATOM 139 CB SER 9 11.760 -19.098 4.180 1.00 52.25 ATOM 140 HB1 SER 9 11.741 -19.571 3.208 1.00 37.22 ATOM 141 HB2 SER 9 12.682 -18.544 4.291 1.00 72.24 ATOM 142 OG SER 9 10.671 -18.189 4.265 1.00 0.42 ATOM 143 HG SER 9 10.809 -17.463 3.640 1.00 23.55 ATOM 144 C SER 9 12.831 -21.174 5.133 1.00 22.54 ATOM 145 O SER 9 13.920 -20.817 4.683 1.00 14.14 ATOM 146 N HIS 10 12.589 -22.415 5.572 1.00 61.12 ATOM 147 HN HIS 10 11.681 -22.636 5.877 1.00 37.22 ATOM 148 CA HIS 10 13.622 -23.467 5.633 1.00 11.24 ATOM 149 HA HIS 10 13.114 -24.383 5.908 1.00 10.21 ATOM 150 CB HIS 10 14.289 -23.681 4.265 1.00 31.23 ATOM 151 HB1 HIS 10 15.162 -24.309 4.389 1.00 37.22 ATOM 152 HB2 HIS 10 14.595 -22.726 3.865 1.00 52.23 ATOM 153 CG HIS 10 13.389 -24.336 3.259 1.00 54.15 ATOM 154 ND1 HIS 10 12.775 -23.657 2.226 1.00 22.01 ATOM 155 HD1 HIS 10 12.847 -22.694 2.045 1.00 25.43 ATOM 156 CD2 HIS 10 13.004 -25.629 3.130 1.00 54.35 ATOM 157 HD2 HIS 10 13.291 -26.451 3.771 1.00 53.53 ATOM 158 CE1 HIS 10 12.056 -24.501 1.512 1.00 74.11 ATOM 159 HE1 HIS 10 11.464 -24.250 0.645 1.00 12.31 ATOM 160 NE2 HIS 10 12.179 -25.700 2.037 1.00 61.04 ATOM 161 HE2 HIS 10 11.654 -26.485 1.773 1.00 37.22 ATOM 162 C HIS 10 14.678 -23.178 6.720 1.00 51.54 ATOM 163 O HIS 10 15.616 -23.956 6.910 1.00 4.02 ATOM 164 N MET 11 14.512 -22.065 7.437 1.00 52.52 ATOM 165 HN MET 11 13.785 -21.457 7.204 1.00 37.22 ATOM 166 CA MET 11 15.388 -21.728 8.566 1.00 51.44 ATOM 167 HA MET 11 16.398 -21.994 8.286 1.00 32.54 ATOM 168 CB MET 11 15.335 -20.218 8.855 1.00 71.42 ATOM 169 HB1 MET 11 15.846 -20.022 9.788 1.00 37.22 ATOM 170 HB2 MET 11 14.302 -19.916 8.950 1.00 63.24 ATOM 171 CG MET 11 15.984 -19.366 7.765 1.00 2.14 ATOM 172 HG1 MET 11 15.477 -19.557 6.829 1.00 37.22 ATOM 173 HG2 MET 11 17.020 -19.654 7.672 1.00 4.24 ATOM 174 SD MET 11 15.913 -17.592 8.105 1.00 71.12 ATOM 175 CE MET 11 16.740 -17.503 9.691 1.00 0.33 ATOM 176 HE1 MET 11 16.802 -16.473 10.008 1.00 11.35 ATOM 177 HE2 MET 11 17.735 -17.913 9.602 1.00 52.40 ATOM 178 HE3 MET 11 16.181 -18.071 10.421 1.00 73.11 ATOM 179 C MET 11 15.005 -22.538 9.816 1.00 34.20 ATOM 180 O MET 11 14.063 -23.333 9.787 1.00 24.12 ATOM 181 N ASN 12 15.720 -22.321 10.913 1.00 63.01 ATOM 182 HN ASN 12 16.358 -21.576 10.929 1.00 37.22 ATOM 183 CA ASN 12 15.560 -23.151 12.111 1.00 41.53 ATOM 184 HA ASN 12 15.684 -24.180 11.811 1.00 65.53 ATOM 185 CB ASN 12 16.643 -22.809 13.136 1.00 74.45 ATOM 186 HB1 ASN 12 16.570 -23.491 13.972 1.00 37.22 ATOM 187 HB2 ASN 12 16.490 -21.801 13.488 1.00 62.14 ATOM 188 CG ASN 12 18.043 -22.906 12.560 1.00 20.31 ATOM 189 OD1 ASN 12 18.322 -23.723 11.689 1.00 53.25 ATOM 190 ND2 ASN 12 18.931 -22.054 13.028 1.00 61.42 ATOM 191 HD21 ASN 12 18.642 -21.417 13.709 1.00 13.22 ATOM 192 HD22 ASN 12 19.844 -22.101 12.676 1.00 41.13 ATOM 193 C ASN 12 14.167 -22.988 12.744 1.00 63.43 ATOM 194 O ASN 12 13.814 -21.917 13.238 1.00 53.40 ATOM 195 N SER 13 13.377 -24.063 12.728 1.00 71.23 ATOM 196 HN SER 13 13.689 -24.873 12.268 1.00 37.22 ATOM 197 CA SER 13 12.052 -24.066 13.367 1.00 3.45 ATOM 198 HA SER 13 11.452 -23.306 12.885 1.00 2.24 ATOM 199 CB SER 13 11.365 -25.427 13.181 1.00 44.03 ATOM 200 HB1 SER 13 10.406 -25.418 13.680 1.00 37.22 ATOM 201 HB2 SER 13 11.984 -26.204 13.604 1.00 40.01 ATOM 202 OG SER 13 11.159 -25.709 11.804 1.00 22.00 ATOM 203 HG SER 13 10.889 -26.633 11.701 1.00 42.11 ATOM 204 C SER 13 12.157 -23.728 14.860 1.00 62.13 ATOM 205 O SER 13 11.206 -23.240 15.467 1.00 2.11 ATOM 206 N ALA 14 13.332 -23.971 15.436 1.00 12.31 ATOM 207 HN ALA 14 14.048 -24.371 14.901 1.00 37.22 ATOM 208 CA ALA 14 13.587 -23.663 16.844 1.00 20.31 ATOM 209 HA ALA 14 12.826 -24.161 17.432 1.00 14.52 ATOM 210 CB ALA 14 14.940 -24.223 17.258 1.00 44.23 ATOM 211 HB1 ALA 14 15.719 -23.758 16.669 1.00 20.03 ATOM 212 HB2 ALA 14 14.956 -25.290 17.093 1.00 34.33 ATOM 213 HB3 ALA 14 15.111 -24.018 18.305 1.00 10.52 ATOM 214 C ALA 14 13.524 -22.150 17.125 1.00 31.44 ATOM 215 O ALA 14 13.101 -21.734 18.205 1.00 32.43 ATOM 216 N GLU 15 13.929 -21.335 16.142 1.00 5.43 ATOM 217 HN GLU 15 14.225 -21.728 15.293 1.00 37.22 ATOM 218 CA GLU 15 13.945 -19.868 16.289 1.00 2.32 ATOM 219 HA GLU 15 14.672 -19.628 17.053 1.00 11.32 ATOM 220 CB GLU 15 14.383 -19.204 14.969 1.00 44.13 ATOM 221 HB1 GLU 15 14.243 -18.134 15.050 1.00 37.22 ATOM 222 HB2 GLU 15 13.763 -19.579 14.166 1.00 11.12 ATOM 223 CG GLU 15 15.844 -19.470 14.612 1.00 55.13 ATOM 224 HG1 GLU 15 16.009 -20.537 14.619 1.00 37.22 ATOM 225 HG2 GLU 15 16.469 -19.013 15.364 1.00 25.14 ATOM 226 CD GLU 15 16.253 -18.919 13.249 1.00 54.43 ATOM 227 OE1 GLU 15 16.427 -17.692 13.129 1.00 35.04 ATOM 228 OE2 GLU 15 16.438 -19.718 12.301 1.00 4.41 ATOM 229 C GLU 15 12.577 -19.322 16.733 1.00 13.40 ATOM 230 O GLU 15 12.497 -18.443 17.595 1.00 24.54 ATOM 231 N GLN 16 11.501 -19.856 16.154 1.00 65.31 ATOM 232 HN GLN 16 11.623 -20.541 15.465 1.00 37.22 ATOM 233 CA GLN 16 10.142 -19.438 16.524 1.00 44.41 ATOM 234 HA GLN 16 10.171 -18.375 16.728 1.00 54.10 ATOM 235 CB GLN 16 9.167 -19.688 15.359 1.00 53.25 ATOM 236 HB1 GLN 16 9.523 -19.153 14.489 1.00 37.22 ATOM 237 HB2 GLN 16 8.194 -19.300 15.631 1.00 64.52 ATOM 238 CG GLN 16 9.007 -21.158 14.984 1.00 21.30 ATOM 239 HG1 GLN 16 8.598 -21.687 15.835 1.00 37.22 ATOM 240 HG2 GLN 16 9.980 -21.563 14.747 1.00 44.32 ATOM 241 CD GLN 16 8.092 -21.378 13.790 1.00 34.21 ATOM 242 OE1 GLN 16 8.007 -20.552 12.887 1.00 42.30 ATOM 243 NE2 GLN 16 7.397 -22.495 13.779 1.00 21.55 ATOM 244 HE21 GLN 16 7.509 -23.114 14.526 1.00 43.13 ATOM 245 HE22 GLN 16 6.791 -22.656 13.026 1.00 2.44 ATOM 246 C GLN 16 9.661 -20.166 17.796 1.00 72.22 ATOM 247 O GLN 16 8.947 -19.590 18.621 1.00 24.31 ATOM 248 N THR 17 10.072 -21.427 17.955 1.00 42.25 ATOM 249 HN THR 17 10.641 -21.831 17.265 1.00 37.22 ATOM 250 CA THR 17 9.690 -22.233 19.126 1.00 20.54 ATOM 251 HA THR 17 8.612 -22.318 19.127 1.00 74.14 ATOM 252 CB THR 17 10.286 -23.662 19.050 1.00 54.03 ATOM 253 HB THR 17 11.366 -23.585 19.047 1.00 5.13 ATOM 254 OG1 THR 17 9.866 -24.305 17.839 1.00 25.41 ATOM 255 HG1 THR 17 8.993 -24.683 17.963 1.00 3.25 ATOM 256 CG2 THR 17 9.860 -24.514 20.245 1.00 5.15 ATOM 257 HG21 THR 17 10.285 -25.503 20.153 1.00 42.41 ATOM 258 HG22 THR 17 8.783 -24.588 20.269 1.00 1.12 ATOM 259 HG23 THR 17 10.209 -24.056 21.159 1.00 23.22 ATOM 260 C THR 17 10.132 -21.573 20.440 1.00 33.14 ATOM 261 O THR 17 9.401 -21.595 21.431 1.00 3.04 ATOM 262 N VAL 18 11.329 -20.980 20.440 1.00 4.10 ATOM 263 HN VAL 18 11.885 -21.032 19.632 1.00 37.22 ATOM 264 CA VAL 18 11.837 -20.258 21.617 1.00 42.04 ATOM 265 HA VAL 18 12.004 -20.983 22.402 1.00 44.02 ATOM 266 CB VAL 18 13.184 -19.544 21.316 1.00 73.34 ATOM 267 HB VAL 18 13.018 -18.831 20.516 1.00 64.45 ATOM 268 CG1 VAL 18 13.683 -18.775 22.540 1.00 23.14 ATOM 269 HG11 VAL 18 14.605 -18.266 22.296 1.00 42.31 ATOM 270 HG12 VAL 18 13.859 -19.465 23.354 1.00 52.53 ATOM 271 HG13 VAL 18 12.942 -18.049 22.839 1.00 62.21 ATOM 272 CG2 VAL 18 14.237 -20.546 20.847 1.00 0.31 ATOM 273 HG21 VAL 18 14.409 -21.280 21.622 1.00 52.14 ATOM 274 HG22 VAL 18 15.160 -20.027 20.631 1.00 31.03 ATOM 275 HG23 VAL 18 13.888 -21.044 19.954 1.00 74.02 ATOM 276 C VAL 18 10.816 -19.217 22.113 1.00 73.22 ATOM 277 O VAL 18 10.399 -19.242 23.273 1.00 53.30 ATOM 278 N THR 19 10.403 -18.321 21.214 1.00 74.33 ATOM 279 HN THR 19 10.764 -18.361 20.303 1.00 37.22 ATOM 280 CA THR 19 9.421 -17.275 21.544 1.00 32.41 ATOM 281 HA THR 19 9.856 -16.640 22.305 1.00 22.12 ATOM 282 CB THR 19 9.095 -16.397 20.309 1.00 13.33 ATOM 283 HB THR 19 8.656 -17.026 19.545 1.00 43.02 ATOM 284 OG1 THR 19 10.301 -15.813 19.791 1.00 40.31 ATOM 285 HG1 THR 19 10.394 -16.040 18.860 1.00 34.41 ATOM 286 CG2 THR 19 8.103 -15.287 20.654 1.00 3.45 ATOM 287 HG21 THR 19 8.519 -14.658 21.428 1.00 53.02 ATOM 288 HG22 THR 19 7.177 -15.723 21.005 1.00 74.51 ATOM 289 HG23 THR 19 7.907 -14.692 19.774 1.00 31.51 ATOM 290 C THR 19 8.118 -17.878 22.083 1.00 1.03 ATOM 291 O THR 19 7.553 -17.389 23.065 1.00 11.15 ATOM 292 N TRP 20 7.653 -18.950 21.441 1.00 23.34 ATOM 293 HN TRP 20 8.136 -19.279 20.651 1.00 37.22 ATOM 294 CA TRP 20 6.435 -19.649 21.871 1.00 24.12 ATOM 295 HA TRP 20 5.620 -18.939 21.831 1.00 62.13 ATOM 296 CB TRP 20 6.129 -20.806 20.907 1.00 51.43 ATOM 297 HB1 TRP 20 6.957 -21.502 20.919 1.00 37.22 ATOM 298 HB2 TRP 20 6.020 -20.412 19.907 1.00 51.13 ATOM 299 CG TRP 20 4.874 -21.569 21.239 1.00 21.33 ATOM 300 CD1 TRP 20 3.604 -21.070 21.322 1.00 34.34 ATOM 301 HD1 TRP 20 3.346 -20.033 21.164 1.00 54.24 ATOM 302 CD2 TRP 20 4.771 -22.974 21.510 1.00 25.21 ATOM 303 NE1 TRP 20 2.721 -22.076 21.635 1.00 52.31 ATOM 304 HE1 TRP 20 1.752 -21.966 21.754 1.00 42.02 ATOM 305 CE2 TRP 20 3.414 -23.254 21.758 1.00 23.11 ATOM 306 CE3 TRP 20 5.699 -24.021 21.575 1.00 42.03 ATOM 307 HE3 TRP 20 6.751 -23.849 21.394 1.00 74.42 ATOM 308 CZ2 TRP 20 2.961 -24.537 22.057 1.00 42.33 ATOM 309 HZ2 TRP 20 1.918 -24.744 22.245 1.00 72.54 ATOM 310 CZ3 TRP 20 5.247 -25.295 21.872 1.00 73.35 ATOM 311 HZ3 TRP 20 5.949 -26.116 21.926 1.00 43.24 ATOM 312 CH2 TRP 20 3.889 -25.542 22.113 1.00 43.50 ATOM 313 HH2 TRP 20 3.581 -26.551 22.344 1.00 33.22 ATOM 314 C TRP 20 6.561 -20.169 23.318 1.00 41.12 ATOM 315 O TRP 20 5.635 -20.038 24.121 1.00 1.13 ATOM 316 N LEU 21 7.716 -20.745 23.649 1.00 23.13 ATOM 317 HN LEU 21 8.418 -20.833 22.966 1.00 37.22 ATOM 318 CA LEU 21 7.966 -21.253 25.005 1.00 71.20 ATOM 319 HA LEU 21 7.139 -21.898 25.272 1.00 43.34 ATOM 320 CB LEU 21 9.263 -22.075 25.036 1.00 10.05 ATOM 321 HB1 LEU 21 9.442 -22.390 26.056 1.00 37.22 ATOM 322 HB2 LEU 21 10.079 -21.433 24.731 1.00 73.12 ATOM 323 CG LEU 21 9.273 -23.325 24.141 1.00 31.43 ATOM 324 HG LEU 21 9.176 -23.018 23.108 1.00 72.01 ATOM 325 CD1 LEU 21 10.594 -24.078 24.277 1.00 52.12 ATOM 326 HD11 LEU 21 11.408 -23.433 23.980 1.00 61.22 ATOM 327 HD12 LEU 21 10.579 -24.951 23.640 1.00 1.01 ATOM 328 HD13 LEU 21 10.734 -24.385 25.304 1.00 23.21 ATOM 329 CD2 LEU 21 8.096 -24.239 24.471 1.00 72.43 ATOM 330 HD21 LEU 21 7.170 -23.712 24.292 1.00 62.11 ATOM 331 HD22 LEU 21 8.146 -24.535 25.509 1.00 50.04 ATOM 332 HD23 LEU 21 8.134 -25.118 23.845 1.00 31.43 ATOM 333 C LEU 21 8.045 -20.111 26.032 1.00 1.21 ATOM 334 O LEU 21 7.552 -20.231 27.158 1.00 64.44 ATOM 335 N ILE 22 8.664 -19.000 25.637 1.00 54.01 ATOM 336 HN ILE 22 9.039 -18.961 24.730 1.00 37.22 ATOM 337 CA ILE 22 8.805 -17.839 26.522 1.00 20.25 ATOM 338 HA ILE 22 9.226 -18.190 27.456 1.00 61.30 ATOM 339 CB ILE 22 9.772 -16.783 25.928 1.00 32.12 ATOM 340 HB ILE 22 9.366 -16.451 24.981 1.00 71.01 ATOM 341 CG1 ILE 22 11.162 -17.399 25.689 1.00 21.22 ATOM 342 HG11 ILE 22 11.062 -18.263 25.045 1.00 37.22 ATOM 343 HG12 ILE 22 11.579 -17.712 26.635 1.00 65.11 ATOM 344 CG2 ILE 22 9.876 -15.567 26.852 1.00 55.01 ATOM 345 HG21 ILE 22 10.239 -15.879 27.821 1.00 42.44 ATOM 346 HG22 ILE 22 8.903 -15.111 26.963 1.00 61.43 ATOM 347 HG23 ILE 22 10.562 -14.848 26.428 1.00 21.12 ATOM 348 CD1 ILE 22 12.153 -16.452 25.042 1.00 44.43 ATOM 349 HD11 ILE 22 12.302 -15.594 25.680 1.00 72.40 ATOM 350 HD12 ILE 22 11.772 -16.128 24.086 1.00 31.30 ATOM 351 HD13 ILE 22 13.094 -16.962 24.899 1.00 51.24 ATOM 352 C ILE 22 7.445 -17.179 26.816 1.00 51.33 ATOM 353 O ILE 22 7.128 -16.877 27.966 1.00 41.23 ATOM 354 N THR 23 6.636 -16.975 25.775 1.00 10.11 ATOM 355 HN THR 23 6.926 -17.264 24.882 1.00 37.22 ATOM 356 CA THR 23 5.325 -16.318 25.932 1.00 21.23 ATOM 357 HA THR 23 5.492 -15.391 26.465 1.00 32.24 ATOM 358 CB THR 23 4.681 -15.969 24.565 1.00 40.30 ATOM 359 HB THR 23 5.397 -15.402 23.985 1.00 11.51 ATOM 360 OG1 THR 23 3.507 -15.164 24.762 1.00 43.34 ATOM 361 HG1 THR 23 3.679 -14.269 24.439 1.00 35.32 ATOM 362 CG2 THR 23 4.307 -17.223 23.781 1.00 11.12 ATOM 363 HG21 THR 23 3.863 -16.940 22.836 1.00 45.52 ATOM 364 HG22 THR 23 3.599 -17.807 24.348 1.00 51.22 ATOM 365 HG23 THR 23 5.194 -17.812 23.598 1.00 12.51 ATOM 366 C THR 23 4.344 -17.175 26.753 1.00 11.11 ATOM 367 O THR 23 3.406 -16.653 27.358 1.00 72.44 ATOM 368 N LEU 24 4.571 -18.491 26.778 1.00 2.13 ATOM 369 HN LEU 24 5.296 -18.859 26.228 1.00 37.22 ATOM 370 CA LEU 24 3.753 -19.409 27.589 1.00 33.41 ATOM 371 HA LEU 24 2.742 -19.027 27.592 1.00 64.23 ATOM 372 CB LEU 24 3.742 -20.811 26.964 1.00 63.34 ATOM 373 HB1 LEU 24 3.379 -21.512 27.703 1.00 37.22 ATOM 374 HB2 LEU 24 4.762 -21.077 26.715 1.00 25.11 ATOM 375 CG LEU 24 2.879 -20.958 25.699 1.00 41.11 ATOM 376 HG LEU 24 3.217 -20.249 24.955 1.00 41.35 ATOM 377 CD1 LEU 24 3.022 -22.354 25.108 1.00 30.42 ATOM 378 HD11 LEU 24 2.415 -22.433 24.219 1.00 34.23 ATOM 379 HD12 LEU 24 2.698 -23.090 25.831 1.00 21.01 ATOM 380 HD13 LEU 24 4.056 -22.533 24.852 1.00 53.44 ATOM 381 CD2 LEU 24 1.413 -20.656 26.009 1.00 52.33 ATOM 382 HD21 LEU 24 0.822 -20.784 25.114 1.00 40.13 ATOM 383 HD22 LEU 24 1.319 -19.638 26.356 1.00 63.22 ATOM 384 HD23 LEU 24 1.057 -21.331 26.775 1.00 43.45 ATOM 385 C LEU 24 4.240 -19.487 29.047 1.00 14.34 ATOM 386 O LEU 24 3.687 -20.235 29.854 1.00 42.22 ATOM 387 N GLY 25 5.282 -18.724 29.373 1.00 73.22 ATOM 388 HN GLY 25 5.715 -18.186 28.677 1.00 37.22 ATOM 389 CA GLY 25 5.781 -18.665 30.748 1.00 30.25 ATOM 390 HA1 GLY 25 4.957 -18.417 31.402 1.00 37.22 ATOM 391 HA2 GLY 25 6.516 -17.877 30.810 1.00 61.00 ATOM 392 C GLY 25 6.423 -19.962 31.238 1.00 33.43 ATOM 393 O GLY 25 6.501 -20.209 32.444 1.00 72.31 ATOM 394 N VAL 26 6.881 -20.802 30.312 1.00 62.22 ATOM 395 HN VAL 26 6.748 -20.586 29.365 1.00 37.22 ATOM 396 CA VAL 26 7.564 -22.050 30.679 1.00 0.43 ATOM 397 HA VAL 26 7.356 -22.245 31.724 1.00 33.30 ATOM 398 CB VAL 26 7.038 -23.254 29.857 1.00 22.20 ATOM 399 HB VAL 26 7.549 -24.145 30.200 1.00 51.14 ATOM 400 CG1 VAL 26 5.545 -23.450 30.098 1.00 14.54 ATOM 401 HG11 VAL 26 5.372 -23.659 31.144 1.00 34.33 ATOM 402 HG12 VAL 26 5.189 -24.279 29.505 1.00 55.03 ATOM 403 HG13 VAL 26 5.011 -22.553 29.818 1.00 44.24 ATOM 404 CG2 VAL 26 7.331 -23.081 28.367 1.00 31.30 ATOM 405 HG21 VAL 26 6.977 -23.948 27.827 1.00 32.02 ATOM 406 HG22 VAL 26 8.396 -22.975 28.217 1.00 64.41 ATOM 407 HG23 VAL 26 6.826 -22.199 28.000 1.00 41.02 ATOM 408 C VAL 26 9.086 -21.931 30.507 1.00 55.34 ATOM 409 O VAL 26 9.856 -22.633 31.170 1.00 51.23 ATOM 410 N LEU 27 9.512 -21.033 29.619 1.00 25.33 ATOM 411 HN LEU 27 8.849 -20.520 29.111 1.00 37.22 ATOM 412 CA LEU 27 10.935 -20.783 29.374 1.00 61.53 ATOM 413 HA LEU 27 11.507 -21.367 30.084 1.00 44.14 ATOM 414 CB LEU 27 11.304 -21.225 27.950 1.00 61.12 ATOM 415 HB1 LEU 27 10.725 -20.632 27.254 1.00 37.22 ATOM 416 HB2 LEU 27 11.015 -22.261 27.834 1.00 55.03 ATOM 417 CG LEU 27 12.791 -21.094 27.572 1.00 24.21 ATOM 418 HG LEU 27 13.092 -20.062 27.681 1.00 41.50 ATOM 419 CD1 LEU 27 13.666 -21.932 28.503 1.00 43.42 ATOM 420 HD11 LEU 27 13.366 -22.970 28.450 1.00 3.34 ATOM 421 HD12 LEU 27 13.554 -21.577 29.519 1.00 35.33 ATOM 422 HD13 LEU 27 14.701 -21.842 28.205 1.00 15.25 ATOM 423 CD2 LEU 27 13.012 -21.496 26.115 1.00 24.42 ATOM 424 HD21 LEU 27 14.057 -21.386 25.865 1.00 60.23 ATOM 425 HD22 LEU 27 12.421 -20.860 25.472 1.00 24.55 ATOM 426 HD23 LEU 27 12.713 -22.526 25.974 1.00 61.12 ATOM 427 C LEU 27 11.270 -19.296 29.575 1.00 62.52 ATOM 428 O LEU 27 10.447 -18.422 29.293 1.00 14.12 ATOM 429 N GLU 28 12.473 -19.019 30.070 1.00 4.02 ATOM 430 HN GLU 28 13.084 -19.757 30.270 1.00 37.22 ATOM 431 CA GLU 28 12.915 -17.640 30.319 1.00 12.13 ATOM 432 HA GLU 28 12.050 -17.064 30.618 1.00 15.00 ATOM 433 CB GLU 28 13.944 -17.619 31.461 1.00 23.41 ATOM 434 HB1 GLU 28 13.487 -18.035 32.349 1.00 37.22 ATOM 435 HB2 GLU 28 14.221 -16.593 31.660 1.00 73.51 ATOM 436 CG GLU 28 15.217 -18.408 31.163 1.00 4.10 ATOM 437 HG1 GLU 28 15.712 -17.960 30.313 1.00 37.22 ATOM 438 HG2 GLU 28 14.944 -19.426 30.920 1.00 24.21 ATOM 439 CD GLU 28 16.186 -18.427 32.336 1.00 3.33 ATOM 440 OE1 GLU 28 16.402 -19.507 32.928 1.00 72.41 ATOM 441 OE2 GLU 28 16.735 -17.357 32.677 1.00 73.23 ATOM 442 C GLU 28 13.516 -17.000 29.055 1.00 41.41 ATOM 443 O GLU 28 13.862 -17.693 28.095 1.00 34.31 ATOM 444 N SER 29 13.643 -15.673 29.063 1.00 35.04 ATOM 445 HN SER 29 13.357 -15.173 29.858 1.00 37.22 ATOM 446 CA SER 29 14.200 -14.936 27.918 1.00 51.21 ATOM 447 HA SER 29 13.796 -15.376 27.017 1.00 44.10 ATOM 448 CB SER 29 13.782 -13.458 27.978 1.00 73.05 ATOM 449 HB1 SER 29 14.161 -13.018 28.889 1.00 37.22 ATOM 450 HB2 SER 29 12.705 -13.391 27.971 1.00 2.12 ATOM 451 OG SER 29 14.286 -12.719 26.870 1.00 72.44 ATOM 452 HG SER 29 13.966 -11.811 26.926 1.00 4.13 ATOM 453 C SER 29 15.736 -15.041 27.876 1.00 0.00 ATOM 454 O SER 29 16.405 -14.925 28.908 1.00 31.24 ATOM 455 N PRO 30 16.323 -15.267 26.681 1.00 43.44 ATOM 456 CA PRO 30 17.787 -15.371 26.521 1.00 24.40 ATOM 457 HA PRO 30 18.186 -16.184 27.113 1.00 71.31 ATOM 458 CB PRO 30 17.962 -15.693 25.027 1.00 71.43 ATOM 459 HB1 PRO 30 18.093 -16.759 24.899 1.00 37.22 ATOM 460 HB2 PRO 30 18.826 -15.172 24.636 1.00 74.35 ATOM 461 CG PRO 30 16.702 -15.220 24.382 1.00 44.12 ATOM 462 HG1 PRO 30 16.505 -15.795 23.488 1.00 37.22 ATOM 463 HG2 PRO 30 16.782 -14.168 24.141 1.00 32.24 ATOM 464 CD PRO 30 15.617 -15.443 25.398 1.00 42.34 ATOM 465 HD1 PRO 30 15.214 -16.444 25.313 1.00 37.22 ATOM 466 HD2 PRO 30 14.833 -14.708 25.282 1.00 74.51 ATOM 467 C PRO 30 18.527 -14.072 26.888 1.00 42.31 ATOM 468 O PRO 30 17.961 -12.978 26.829 1.00 35.04 ATOM 469 N LYS 31 19.798 -14.202 27.265 1.00 34.42 ATOM 470 HN LYS 31 20.206 -15.096 27.260 1.00 37.22 ATOM 471 CA LYS 31 20.608 -13.051 27.689 1.00 74.50 ATOM 472 HA LYS 31 19.964 -12.389 28.253 1.00 75.12 ATOM 473 CB LYS 31 21.762 -13.510 28.601 1.00 11.15 ATOM 474 HB1 LYS 31 22.456 -12.689 28.722 1.00 37.22 ATOM 475 HB2 LYS 31 22.276 -14.333 28.125 1.00 2.21 ATOM 476 CG LYS 31 21.320 -13.968 29.997 1.00 4.10 ATOM 477 HG1 LYS 31 20.840 -13.138 30.497 1.00 37.22 ATOM 478 HG2 LYS 31 22.194 -14.266 30.560 1.00 22.41 ATOM 479 CD LYS 31 20.345 -15.147 29.943 1.00 23.24 ATOM 480 HD1 LYS 31 20.849 -15.997 29.503 1.00 37.22 ATOM 481 HD2 LYS 31 19.501 -14.873 29.327 1.00 53.33 ATOM 482 CE LYS 31 19.831 -15.535 31.321 1.00 15.54 ATOM 483 HE1 LYS 31 19.413 -14.660 31.798 1.00 37.22 ATOM 484 HE2 LYS 31 20.653 -15.908 31.912 1.00 4.22 ATOM 485 NZ LYS 31 18.781 -16.584 31.239 1.00 53.11 ATOM 486 HZ1 LYS 31 19.153 -17.428 30.760 1.00 43.22 ATOM 487 HZ2 LYS 31 17.964 -16.231 30.704 1.00 53.41 ATOM 488 HZ3 LYS 31 18.462 -16.852 32.194 1.00 15.35 ATOM 489 C LYS 31 21.159 -12.276 26.481 1.00 71.33 ATOM 490 O LYS 31 21.380 -11.066 26.556 1.00 14.42 ATOM 491 N LYS 32 21.387 -12.984 25.376 1.00 62.32 ATOM 492 HN LYS 32 21.239 -13.953 25.396 1.00 37.22 ATOM 493 CA LYS 32 21.850 -12.364 24.124 1.00 75.04 ATOM 494 HA LYS 32 21.660 -11.301 24.186 1.00 61.14 ATOM 495 CB LYS 32 23.358 -12.593 23.931 1.00 35.01 ATOM 496 HB1 LYS 32 23.639 -12.253 22.943 1.00 37.22 ATOM 497 HB2 LYS 32 23.561 -13.653 24.004 1.00 21.04 ATOM 498 CG LYS 32 24.232 -11.869 24.951 1.00 63.15 ATOM 499 HG1 LYS 32 23.971 -12.215 25.941 1.00 37.22 ATOM 500 HG2 LYS 32 24.044 -10.807 24.881 1.00 0.43 ATOM 501 CD LYS 32 25.718 -12.124 24.711 1.00 34.20 ATOM 502 HD1 LYS 32 25.909 -13.186 24.791 1.00 37.22 ATOM 503 HD2 LYS 32 26.287 -11.600 25.465 1.00 64.14 ATOM 504 CE LYS 32 26.166 -11.643 23.333 1.00 24.13 ATOM 505 HE1 LYS 32 25.608 -12.178 22.578 1.00 37.22 ATOM 506 HE2 LYS 32 27.219 -11.856 23.217 1.00 64.54 ATOM 507 NZ LYS 32 25.948 -10.183 23.152 1.00 1.41 ATOM 508 HZ1 LYS 32 24.935 -9.961 23.200 1.00 45.42 ATOM 509 HZ2 LYS 32 26.313 -9.877 22.228 1.00 1.33 ATOM 510 HZ3 LYS 32 26.444 -9.653 23.896 1.00 64.44 ATOM 511 C LYS 32 21.086 -12.929 22.918 1.00 52.10 ATOM 512 O LYS 32 20.340 -13.901 23.044 1.00 20.43 ATOM 513 N THR 33 21.283 -12.318 21.749 1.00 14.20 ATOM 514 HN THR 33 21.862 -11.527 21.717 1.00 37.22 ATOM 515 CA THR 33 20.655 -12.796 20.508 1.00 1.51 ATOM 516 HA THR 33 19.582 -12.788 20.653 1.00 61.34 ATOM 517 CB THR 33 20.992 -11.867 19.313 1.00 71.24 ATOM 518 HB THR 33 22.065 -11.869 19.169 1.00 30.14 ATOM 519 OG1 THR 33 20.565 -10.521 19.594 1.00 51.30 ATOM 520 HG1 THR 33 20.282 -10.457 20.517 1.00 3.23 ATOM 521 CG2 THR 33 20.328 -12.347 18.024 1.00 4.23 ATOM 522 HG21 THR 33 19.257 -12.375 18.158 1.00 12.32 ATOM 523 HG22 THR 33 20.686 -13.336 17.779 1.00 72.21 ATOM 524 HG23 THR 33 20.571 -11.669 17.220 1.00 4.45 ATOM 525 C THR 33 21.105 -14.230 20.181 1.00 10.43 ATOM 526 O THR 33 22.295 -14.493 20.018 1.00 31.51 ATOM 527 N ILE 34 20.148 -15.149 20.087 1.00 73.43 ATOM 528 HN ILE 34 19.209 -14.866 20.139 1.00 37.22 ATOM 529 CA ILE 34 20.451 -16.576 19.917 1.00 41.43 ATOM 530 HA ILE 34 21.245 -16.825 20.608 1.00 51.24 ATOM 531 CB ILE 34 19.224 -17.453 20.267 1.00 53.31 ATOM 532 HB ILE 34 18.435 -17.220 19.563 1.00 33.03 ATOM 533 CG1 ILE 34 18.728 -17.148 21.690 1.00 34.45 ATOM 534 HG11 ILE 34 18.466 -16.101 21.757 1.00 37.22 ATOM 535 HG12 ILE 34 19.516 -17.362 22.396 1.00 31.25 ATOM 536 CG2 ILE 34 19.562 -18.938 20.122 1.00 0.51 ATOM 537 HG21 ILE 34 20.360 -19.198 20.805 1.00 54.40 ATOM 538 HG22 ILE 34 19.880 -19.140 19.109 1.00 42.20 ATOM 539 HG23 ILE 34 18.689 -19.533 20.348 1.00 74.11 ATOM 540 CD1 ILE 34 17.511 -17.956 22.096 1.00 71.23 ATOM 541 HD11 ILE 34 17.746 -19.008 22.055 1.00 2.31 ATOM 542 HD12 ILE 34 16.696 -17.742 21.420 1.00 55.12 ATOM 543 HD13 ILE 34 17.222 -17.690 23.102 1.00 43.03 ATOM 544 C ILE 34 20.913 -16.922 18.490 1.00 4.25 ATOM 545 O ILE 34 20.221 -16.644 17.507 1.00 70.24 ATOM 546 N SER 35 22.090 -17.534 18.393 1.00 34.44 ATOM 547 HN SER 35 22.643 -17.620 19.199 1.00 37.22 ATOM 548 CA SER 35 22.597 -18.073 17.122 1.00 10.55 ATOM 549 HA SER 35 22.142 -17.513 16.315 1.00 14.13 ATOM 550 CB SER 35 24.121 -17.923 17.040 1.00 31.22 ATOM 551 HB1 SER 35 24.575 -18.418 17.886 1.00 37.22 ATOM 552 HB2 SER 35 24.379 -16.874 17.057 1.00 50.41 ATOM 553 OG SER 35 24.633 -18.497 15.846 1.00 70.13 ATOM 554 HG SER 35 24.963 -19.387 16.034 1.00 71.33 ATOM 555 C SER 35 22.225 -19.554 16.971 1.00 10.33 ATOM 556 O SER 35 21.858 -20.010 15.885 1.00 61.20 ATOM 557 N ASP 36 22.329 -20.301 18.072 1.00 31.35 ATOM 558 HN ASP 36 22.645 -19.879 18.900 1.00 37.22 ATOM 559 CA ASP 36 22.003 -21.733 18.094 1.00 44.21 ATOM 560 HA ASP 36 21.829 -22.046 17.073 1.00 23.14 ATOM 561 CB ASP 36 23.196 -22.531 18.651 1.00 51.24 ATOM 562 HB1 ASP 36 24.037 -22.418 17.981 1.00 37.22 ATOM 563 HB2 ASP 36 22.927 -23.577 18.700 1.00 22.23 ATOM 564 CG ASP 36 23.631 -22.079 20.044 1.00 33.42 ATOM 565 OD1 ASP 36 23.691 -22.927 20.959 1.00 43.40 ATOM 566 OD2 ASP 36 23.922 -20.875 20.230 1.00 53.11 ATOM 567 C ASP 36 20.719 -22.009 18.912 1.00 53.43 ATOM 568 O ASP 36 20.772 -22.286 20.112 1.00 1.41 ATOM 569 N PRO 37 19.534 -21.917 18.272 1.00 71.03 ATOM 570 CA PRO 37 18.252 -22.079 18.974 1.00 12.21 ATOM 571 HA PRO 37 18.231 -21.468 19.868 1.00 31.42 ATOM 572 CB PRO 37 17.222 -21.537 17.975 1.00 62.33 ATOM 573 HB1 PRO 37 17.005 -20.503 18.208 1.00 37.22 ATOM 574 HB2 PRO 37 16.312 -22.118 18.038 1.00 35.34 ATOM 575 CG PRO 37 17.858 -21.667 16.629 1.00 5.13 ATOM 576 HG1 PRO 37 17.557 -20.839 16.004 1.00 37.22 ATOM 577 HG2 PRO 37 17.558 -22.600 16.175 1.00 14.41 ATOM 578 CD PRO 37 19.355 -21.648 16.832 1.00 24.55 ATOM 579 HD1 PRO 37 19.757 -20.679 16.571 1.00 37.22 ATOM 580 HD2 PRO 37 19.824 -22.419 16.239 1.00 31.11 ATOM 581 C PRO 37 17.948 -23.534 19.378 1.00 13.31 ATOM 582 O PRO 37 17.444 -23.775 20.477 1.00 31.44 ATOM 583 N GLU 38 18.251 -24.504 18.508 1.00 73.21 ATOM 584 HN GLU 38 18.590 -24.268 17.616 1.00 37.22 ATOM 585 CA GLU 38 18.067 -25.923 18.861 1.00 30.33 ATOM 586 HA GLU 38 17.022 -26.059 19.114 1.00 40.51 ATOM 587 CB GLU 38 18.412 -26.859 17.688 1.00 44.33 ATOM 588 HB1 GLU 38 18.372 -27.881 18.042 1.00 37.22 ATOM 589 HB2 GLU 38 19.420 -26.646 17.360 1.00 5.41 ATOM 590 CG GLU 38 17.477 -26.735 16.483 1.00 32.22 ATOM 591 HG1 GLU 38 16.518 -26.369 16.824 1.00 37.22 ATOM 592 HG2 GLU 38 17.341 -27.713 16.044 1.00 45.32 ATOM 593 CD GLU 38 18.004 -25.789 15.416 1.00 42.44 ATOM 594 OE1 GLU 38 18.395 -26.266 14.330 1.00 11.53 ATOM 595 OE2 GLU 38 18.036 -24.572 15.663 1.00 4.41 ATOM 596 C GLU 38 18.913 -26.300 20.087 1.00 33.41 ATOM 597 O GLU 38 18.442 -26.996 20.987 1.00 2.11 ATOM 598 N GLY 39 20.164 -25.837 20.113 1.00 34.20 ATOM 599 HN GLY 39 20.513 -25.355 19.330 1.00 37.22 ATOM 600 CA GLY 39 21.021 -26.053 21.275 1.00 53.24 ATOM 601 HA1 GLY 39 21.999 -25.642 21.069 1.00 37.22 ATOM 602 HA2 GLY 39 21.121 -27.116 21.445 1.00 22.20 ATOM 603 C GLY 39 20.468 -25.398 22.539 1.00 11.43 ATOM 604 O GLY 39 20.425 -26.019 23.607 1.00 72.11 ATOM 605 N PHE 40 20.034 -24.144 22.407 1.00 54.35 ATOM 606 HN PHE 40 20.141 -23.699 21.538 1.00 37.22 ATOM 607 CA PHE 40 19.418 -23.400 23.513 1.00 51.32 ATOM 608 HA PHE 40 20.167 -23.271 24.282 1.00 41.13 ATOM 609 CB PHE 40 18.970 -22.014 23.015 1.00 23.20 ATOM 610 HB1 PHE 40 18.253 -22.144 22.215 1.00 37.22 ATOM 611 HB2 PHE 40 19.830 -21.485 22.629 1.00 40.40 ATOM 612 CG PHE 40 18.333 -21.145 24.077 1.00 12.12 ATOM 613 CD1 PHE 40 19.118 -20.443 24.981 1.00 64.43 ATOM 614 HD1 PHE 40 20.195 -20.522 24.922 1.00 62.42 ATOM 615 CD2 PHE 40 16.950 -21.028 24.168 1.00 13.11 ATOM 616 HD2 PHE 40 16.325 -21.567 23.469 1.00 60.14 ATOM 617 CE1 PHE 40 18.539 -19.645 25.951 1.00 71.22 ATOM 618 HE1 PHE 40 19.163 -19.106 26.649 1.00 43.31 ATOM 619 CE2 PHE 40 16.369 -20.230 25.136 1.00 31.01 ATOM 620 HE2 PHE 40 15.293 -20.148 25.195 1.00 23.40 ATOM 621 CZ PHE 40 17.164 -19.539 26.029 1.00 22.04 ATOM 622 HZ PHE 40 16.712 -18.916 26.787 1.00 22.04 ATOM 623 C PHE 40 18.220 -24.165 24.110 1.00 73.05 ATOM 624 O PHE 40 18.072 -24.259 25.334 1.00 61.21 ATOM 625 N LEU 41 17.371 -24.710 23.240 1.00 61.35 ATOM 626 HN LEU 41 17.531 -24.584 22.278 1.00 37.22 ATOM 627 CA LEU 41 16.199 -25.482 23.674 1.00 21.44 ATOM 628 HA LEU 41 15.691 -24.908 24.440 1.00 13.24 ATOM 629 CB LEU 41 15.236 -25.696 22.498 1.00 63.44 ATOM 630 HB1 LEU 41 14.411 -26.304 22.843 1.00 37.22 ATOM 631 HB2 LEU 41 15.763 -26.241 21.727 1.00 3.32 ATOM 632 CG LEU 41 14.659 -24.416 21.874 1.00 31.54 ATOM 633 HG LEU 41 15.472 -23.814 21.494 1.00 61.41 ATOM 634 CD1 LEU 41 13.746 -24.755 20.699 1.00 50.20 ATOM 635 HD11 LEU 41 13.382 -23.842 20.249 1.00 51.51 ATOM 636 HD12 LEU 41 12.908 -25.342 21.048 1.00 23.53 ATOM 637 HD13 LEU 41 14.300 -25.322 19.963 1.00 63.43 ATOM 638 CD2 LEU 41 13.916 -23.594 22.923 1.00 60.11 ATOM 639 HD21 LEU 41 14.595 -23.328 23.721 1.00 63.43 ATOM 640 HD22 LEU 41 13.098 -24.174 23.326 1.00 4.32 ATOM 641 HD23 LEU 41 13.528 -22.694 22.468 1.00 51.01 ATOM 642 C LEU 41 16.597 -26.841 24.270 1.00 71.34 ATOM 643 O LEU 41 16.101 -27.230 25.322 1.00 2.00 ATOM 644 N GLN 42 17.497 -27.556 23.598 1.00 33.15 ATOM 645 HN GLN 42 17.875 -27.188 22.771 1.00 37.22 ATOM 646 CA GLN 42 17.936 -28.883 24.056 1.00 24.22 ATOM 647 HA GLN 42 17.078 -29.542 24.014 1.00 62.34 ATOM 648 CB GLN 42 19.025 -29.425 23.106 1.00 41.22 ATOM 649 HB1 GLN 42 19.947 -28.895 23.302 1.00 37.22 ATOM 650 HB2 GLN 42 18.721 -29.218 22.089 1.00 53.23 ATOM 651 CG GLN 42 19.306 -30.931 23.220 1.00 1.03 ATOM 652 HG1 GLN 42 19.745 -31.267 22.290 1.00 37.22 ATOM 653 HG2 GLN 42 18.368 -31.447 23.371 1.00 63.20 ATOM 654 CD GLN 42 20.247 -31.304 24.359 1.00 52.40 ATOM 655 OE1 GLN 42 21.461 -31.318 24.193 1.00 33.31 ATOM 656 NE2 GLN 42 19.703 -31.629 25.513 1.00 23.11 ATOM 657 HE21 GLN 42 18.727 -31.618 25.586 1.00 35.11 ATOM 658 HE22 GLN 42 20.300 -31.868 26.250 1.00 33.03 ATOM 659 C GLN 42 18.445 -28.831 25.509 1.00 23.15 ATOM 660 O GLN 42 18.109 -29.688 26.325 1.00 61.21 ATOM 661 N ALA 43 19.232 -27.807 25.829 1.00 2.52 ATOM 662 HN ALA 43 19.449 -27.142 25.140 1.00 37.22 ATOM 663 CA ALA 43 19.792 -27.645 27.178 1.00 62.21 ATOM 664 HA ALA 43 20.317 -28.559 27.427 1.00 0.22 ATOM 665 CB ALA 43 20.808 -26.509 27.183 1.00 2.43 ATOM 666 HB1 ALA 43 21.558 -26.692 26.428 1.00 45.00 ATOM 667 HB2 ALA 43 21.282 -26.452 28.153 1.00 24.43 ATOM 668 HB3 ALA 43 20.307 -25.575 26.973 1.00 4.31 ATOM 669 C ALA 43 18.707 -27.393 28.246 1.00 41.32 ATOM 670 O ALA 43 18.852 -27.804 29.398 1.00 65.05 ATOM 671 N SER 44 17.628 -26.711 27.860 1.00 34.50 ATOM 672 HN SER 44 17.551 -26.434 26.922 1.00 37.22 ATOM 673 CA SER 44 16.540 -26.372 28.797 1.00 62.31 ATOM 674 HA SER 44 16.983 -26.211 29.770 1.00 3.40 ATOM 675 CB SER 44 15.845 -25.075 28.353 1.00 40.22 ATOM 676 HB1 SER 44 16.556 -24.262 28.370 1.00 37.22 ATOM 677 HB2 SER 44 15.032 -24.853 29.026 1.00 2.41 ATOM 678 OG SER 44 15.321 -25.193 27.040 1.00 51.24 ATOM 679 HG SER 44 15.509 -24.388 26.546 1.00 53.41 ATOM 680 C SER 44 15.505 -27.505 28.910 1.00 1.11 ATOM 681 O SER 44 15.118 -27.904 30.010 1.00 14.04 ATOM 682 N LEU 45 15.061 -28.016 27.765 1.00 64.32 ATOM 683 HN LEU 45 15.397 -27.642 26.925 1.00 37.22 ATOM 684 CA LEU 45 14.069 -29.101 27.712 1.00 1.54 ATOM 685 HA LEU 45 13.253 -28.837 28.370 1.00 5.54 ATOM 686 CB LEU 45 13.525 -29.239 26.280 1.00 41.43 ATOM 687 HB1 LEU 45 12.747 -29.990 26.283 1.00 37.22 ATOM 688 HB2 LEU 45 14.330 -29.587 25.645 1.00 60.35 ATOM 689 CG LEU 45 12.948 -27.952 25.663 1.00 42.05 ATOM 690 HG LEU 45 13.721 -27.196 25.639 1.00 24.33 ATOM 691 CD1 LEU 45 12.498 -28.199 24.226 1.00 70.45 ATOM 692 HD11 LEU 45 13.335 -28.550 23.641 1.00 13.21 ATOM 693 HD12 LEU 45 12.126 -27.278 23.801 1.00 54.24 ATOM 694 HD13 LEU 45 11.713 -28.943 24.213 1.00 74.13 ATOM 695 CD2 LEU 45 11.792 -27.414 26.505 1.00 20.44 ATOM 696 HD21 LEU 45 10.997 -28.145 26.539 1.00 32.35 ATOM 697 HD22 LEU 45 11.421 -26.499 26.066 1.00 55.44 ATOM 698 HD23 LEU 45 12.140 -27.213 27.508 1.00 71.42 ATOM 699 C LEU 45 14.660 -30.448 28.172 1.00 73.34 ATOM 700 O LEU 45 13.925 -31.405 28.415 1.00 43.42 ATOM 701 N LYS 46 15.989 -30.499 28.288 1.00 12.22 ATOM 702 HN LYS 46 16.502 -29.684 28.108 1.00 37.22 ATOM 703 CA LYS 46 16.725 -31.721 28.658 1.00 60.43 ATOM 704 HA LYS 46 16.698 -32.386 27.807 1.00 45.03 ATOM 705 CB LYS 46 18.190 -31.355 28.942 1.00 23.33 ATOM 706 HB1 LYS 46 18.214 -30.607 29.723 1.00 37.22 ATOM 707 HB2 LYS 46 18.620 -30.932 28.045 1.00 2.23 ATOM 708 CG LYS 46 19.064 -32.528 29.378 1.00 42.34 ATOM 709 HG1 LYS 46 18.979 -33.322 28.648 1.00 37.22 ATOM 710 HG2 LYS 46 18.719 -32.883 30.339 1.00 33.42 ATOM 711 CD LYS 46 20.528 -32.118 29.499 1.00 74.33 ATOM 712 HD1 LYS 46 20.608 -31.309 30.213 1.00 37.22 ATOM 713 HD2 LYS 46 20.876 -31.780 28.535 1.00 53.52 ATOM 714 CE LYS 46 21.409 -33.273 29.960 1.00 0.22 ATOM 715 HE1 LYS 46 21.226 -34.129 29.327 1.00 37.22 ATOM 716 HE2 LYS 46 21.158 -33.520 30.982 1.00 13.42 ATOM 717 NZ LYS 46 22.851 -32.920 29.891 1.00 22.40 ATOM 718 HZ1 LYS 46 23.432 -33.693 30.271 1.00 63.32 ATOM 719 HZ2 LYS 46 23.038 -32.060 30.442 1.00 51.14 ATOM 720 HZ3 LYS 46 23.129 -32.750 28.900 1.00 52.11 ATOM 721 C LYS 46 16.120 -32.455 29.873 1.00 51.10 ATOM 722 O LYS 46 15.835 -33.651 29.806 1.00 1.14 ATOM 723 N ASP 47 15.924 -31.737 30.977 1.00 13.13 ATOM 724 HN ASP 47 16.131 -30.780 30.966 1.00 37.22 ATOM 725 CA ASP 47 15.419 -32.347 32.216 1.00 63.22 ATOM 726 HA ASP 47 15.909 -33.305 32.330 1.00 62.24 ATOM 727 CB ASP 47 15.785 -31.471 33.415 1.00 5.34 ATOM 728 HB1 ASP 47 15.412 -31.930 34.320 1.00 37.22 ATOM 729 HB2 ASP 47 15.328 -30.498 33.297 1.00 21.14 ATOM 730 CG ASP 47 17.287 -31.290 33.549 1.00 4.24 ATOM 731 OD1 ASP 47 17.962 -32.207 34.066 1.00 3.40 ATOM 732 OD2 ASP 47 17.800 -30.227 33.144 1.00 41.01 ATOM 733 C ASP 47 13.896 -32.587 32.180 1.00 33.44 ATOM 734 O ASP 47 13.318 -33.087 33.147 1.00 21.41 ATOM 735 N GLY 48 13.249 -32.212 31.076 1.00 55.34 ATOM 736 HN GLY 48 13.748 -31.768 30.358 1.00 37.22 ATOM 737 CA GLY 48 11.817 -32.472 30.909 1.00 52.11 ATOM 738 HA1 GLY 48 11.616 -33.490 31.215 1.00 37.22 ATOM 739 HA2 GLY 48 11.574 -32.379 29.862 1.00 51.12 ATOM 740 C GLY 48 10.902 -31.533 31.699 1.00 63.23 ATOM 741 O GLY 48 9.709 -31.434 31.404 1.00 3.54 ATOM 742 N VAL 49 11.455 -30.836 32.689 1.00 31.30 ATOM 743 HN VAL 49 12.419 -30.914 32.838 1.00 37.22 ATOM 744 CA VAL 49 10.669 -29.956 33.568 1.00 33.43 ATOM 745 HA VAL 49 9.961 -30.574 34.106 1.00 25.53 ATOM 746 CB VAL 49 11.579 -29.252 34.607 1.00 64.34 ATOM 747 HB VAL 49 12.256 -28.598 34.073 1.00 64.32 ATOM 748 CG1 VAL 49 10.755 -28.396 35.569 1.00 61.13 ATOM 749 HG11 VAL 49 10.046 -29.023 36.094 1.00 35.31 ATOM 750 HG12 VAL 49 10.220 -27.639 35.014 1.00 23.52 ATOM 751 HG13 VAL 49 11.411 -27.920 36.285 1.00 4.13 ATOM 752 CG2 VAL 49 12.416 -30.277 35.372 1.00 1.51 ATOM 753 HG21 VAL 49 13.009 -30.853 34.674 1.00 31.34 ATOM 754 HG22 VAL 49 11.765 -30.941 35.921 1.00 63.01 ATOM 755 HG23 VAL 49 13.073 -29.767 36.062 1.00 64.13 ATOM 756 C VAL 49 9.892 -28.895 32.767 1.00 52.31 ATOM 757 O VAL 49 8.697 -28.679 32.994 1.00 32.01 ATOM 758 N VAL 50 10.575 -28.236 31.829 1.00 12.11 ATOM 759 HN VAL 50 11.536 -28.417 31.724 1.00 37.22 ATOM 760 CA VAL 50 9.931 -27.243 30.959 1.00 12.24 ATOM 761 HA VAL 50 9.466 -26.500 31.595 1.00 64.01 ATOM 762 CB VAL 50 10.962 -26.522 30.048 1.00 14.51 ATOM 763 HB VAL 50 11.424 -27.262 29.405 1.00 30.44 ATOM 764 CG1 VAL 50 10.273 -25.486 29.158 1.00 72.23 ATOM 765 HG11 VAL 50 11.007 -25.005 28.527 1.00 5.53 ATOM 766 HG12 VAL 50 9.789 -24.743 29.776 1.00 2.13 ATOM 767 HG13 VAL 50 9.534 -25.975 28.540 1.00 15.41 ATOM 768 CG2 VAL 50 12.064 -25.866 30.884 1.00 33.04 ATOM 769 HG21 VAL 50 12.572 -26.620 31.467 1.00 13.44 ATOM 770 HG22 VAL 50 11.629 -25.132 31.547 1.00 25.34 ATOM 771 HG23 VAL 50 12.776 -25.380 30.229 1.00 60.03 ATOM 772 C VAL 50 8.839 -27.895 30.087 1.00 53.30 ATOM 773 O VAL 50 7.785 -27.305 29.848 1.00 31.15 ATOM 774 N LEU 51 9.093 -29.127 29.638 1.00 13.21 ATOM 775 HN LEU 51 9.941 -29.552 29.879 1.00 37.22 ATOM 776 CA LEU 51 8.135 -29.869 28.808 1.00 2.23 ATOM 777 HA LEU 51 7.920 -29.270 27.934 1.00 34.20 ATOM 778 CB LEU 51 8.741 -31.205 28.356 1.00 43.34 ATOM 779 HB1 LEU 51 7.970 -31.775 27.855 1.00 37.22 ATOM 780 HB2 LEU 51 9.045 -31.750 29.239 1.00 72.43 ATOM 781 CG LEU 51 9.952 -31.108 27.414 1.00 35.24 ATOM 782 HG LEU 51 10.731 -30.535 27.898 1.00 73.53 ATOM 783 CD1 LEU 51 10.507 -32.497 27.116 1.00 54.20 ATOM 784 HD11 LEU 51 9.747 -33.095 26.635 1.00 70.43 ATOM 785 HD12 LEU 51 10.807 -32.971 28.039 1.00 13.43 ATOM 786 HD13 LEU 51 11.363 -32.410 26.464 1.00 74.13 ATOM 787 CD2 LEU 51 9.573 -30.390 26.118 1.00 32.10 ATOM 788 HD21 LEU 51 9.210 -29.399 26.348 1.00 23.14 ATOM 789 HD22 LEU 51 8.801 -30.947 25.606 1.00 42.30 ATOM 790 HD23 LEU 51 10.443 -30.313 25.482 1.00 1.32 ATOM 791 C LEU 51 6.820 -30.132 29.559 1.00 34.13 ATOM 792 O LEU 51 5.736 -29.836 29.056 1.00 11.12 ATOM 793 N CYS 52 6.927 -30.696 30.761 1.00 25.53 ATOM 794 HN CYS 52 7.820 -30.928 31.102 1.00 37.22 ATOM 795 CA CYS 52 5.747 -30.992 31.585 1.00 51.51 ATOM 796 HA CYS 52 5.154 -31.728 31.060 1.00 70.23 ATOM 797 CB CYS 52 6.168 -31.571 32.941 1.00 1.33 ATOM 798 HB1 CYS 52 5.282 -31.838 33.500 1.00 37.22 ATOM 799 HB2 CYS 52 6.719 -30.822 33.490 1.00 44.51 ATOM 800 SG CYS 52 7.214 -33.042 32.828 1.00 55.51 ATOM 801 HG CYS 52 6.802 -33.760 31.792 1.00 25.21 ATOM 802 C CYS 52 4.894 -29.735 31.804 1.00 50.53 ATOM 803 O CYS 52 3.683 -29.749 31.595 1.00 52.23 ATOM 804 N ARG 53 5.544 -28.648 32.214 1.00 5.13 ATOM 805 HN ARG 53 6.511 -28.707 32.376 1.00 37.22 ATOM 806 CA ARG 53 4.859 -27.369 32.433 1.00 43.44 ATOM 807 HA ARG 53 4.055 -27.544 33.136 1.00 52.40 ATOM 808 CB ARG 53 5.835 -26.353 33.042 1.00 14.31 ATOM 809 HB1 ARG 53 5.330 -25.404 33.155 1.00 37.22 ATOM 810 HB2 ARG 53 6.674 -26.228 32.370 1.00 54.12 ATOM 811 CG ARG 53 6.369 -26.777 34.406 1.00 11.30 ATOM 812 HG1 ARG 53 6.828 -27.752 34.313 1.00 37.22 ATOM 813 HG2 ARG 53 5.544 -26.834 35.101 1.00 41.33 ATOM 814 CD ARG 53 7.400 -25.796 34.951 1.00 42.11 ATOM 815 HD1 ARG 53 6.954 -24.812 35.000 1.00 37.22 ATOM 816 HD2 ARG 53 8.248 -25.772 34.280 1.00 71.13 ATOM 817 NE ARG 53 7.860 -26.177 36.286 1.00 13.44 ATOM 818 HE ARG 53 7.419 -26.936 36.716 1.00 61.14 ATOM 819 CZ ARG 53 8.801 -25.557 36.945 1.00 5.24 ATOM 820 NH1 ARG 53 9.433 -24.562 36.412 1.00 42.01 ATOM 821 HH11 ARG 53 9.205 -24.262 35.488 1.00 75.54 ATOM 822 HH12 ARG 53 10.144 -24.092 36.928 1.00 65.14 ATOM 823 NH2 ARG 53 9.116 -25.946 38.136 1.00 25.31 ATOM 824 HH21 ARG 53 8.642 -26.722 38.548 1.00 71.23 ATOM 825 HH22 ARG 53 9.824 -25.462 38.648 1.00 71.43 ATOM 826 C ARG 53 4.259 -26.824 31.124 1.00 34.50 ATOM 827 O ARG 53 3.182 -26.224 31.121 1.00 53.21 ATOM 828 N LEU 54 4.968 -27.039 30.017 1.00 73.31 ATOM 829 HN LEU 54 5.853 -27.453 30.095 1.00 37.22 ATOM 830 CA LEU 54 4.475 -26.669 28.686 1.00 22.55 ATOM 831 HA LEU 54 4.308 -25.601 28.676 1.00 60.44 ATOM 832 CB LEU 54 5.533 -27.020 27.630 1.00 4.31 ATOM 833 HB1 LEU 54 5.750 -28.076 27.713 1.00 37.22 ATOM 834 HB2 LEU 54 6.436 -26.470 27.863 1.00 73.54 ATOM 835 CG LEU 54 5.155 -26.723 26.171 1.00 43.44 ATOM 836 HG LEU 54 4.253 -27.266 25.924 1.00 21.55 ATOM 837 CD1 LEU 54 4.871 -25.236 25.970 1.00 2.35 ATOM 838 HD11 LEU 54 4.039 -24.941 26.592 1.00 43.14 ATOM 839 HD12 LEU 54 4.627 -25.052 24.933 1.00 43.41 ATOM 840 HD13 LEU 54 5.745 -24.661 26.241 1.00 4.01 ATOM 841 CD2 LEU 54 6.260 -27.197 25.230 1.00 54.05 ATOM 842 HD21 LEU 54 5.975 -26.995 24.207 1.00 4.31 ATOM 843 HD22 LEU 54 6.408 -28.260 25.356 1.00 5.22 ATOM 844 HD23 LEU 54 7.180 -26.676 25.457 1.00 13.54 ATOM 845 C LEU 54 3.150 -27.381 28.373 1.00 64.44 ATOM 846 O LEU 54 2.183 -26.757 27.927 1.00 71.44 ATOM 847 N LEU 55 3.108 -28.687 28.629 1.00 60.10 ATOM 848 HN LEU 55 3.915 -29.133 28.967 1.00 37.22 ATOM 849 CA LEU 55 1.895 -29.478 28.410 1.00 4.22 ATOM 850 HA LEU 55 1.579 -29.313 27.389 1.00 24.12 ATOM 851 CB LEU 55 2.193 -30.973 28.600 1.00 71.31 ATOM 852 HB1 LEU 55 2.475 -31.131 29.631 1.00 37.22 ATOM 853 HB2 LEU 55 3.037 -31.233 27.973 1.00 52.41 ATOM 854 CG LEU 55 1.032 -31.927 28.268 1.00 74.15 ATOM 855 HG LEU 55 0.195 -31.697 28.912 1.00 41.03 ATOM 856 CD1 LEU 55 0.569 -31.744 26.824 1.00 64.34 ATOM 857 HD11 LEU 55 0.244 -30.725 26.674 1.00 22.35 ATOM 858 HD12 LEU 55 -0.254 -32.415 26.622 1.00 14.45 ATOM 859 HD13 LEU 55 1.385 -31.965 26.151 1.00 54.42 ATOM 860 CD2 LEU 55 1.433 -33.378 28.524 1.00 63.02 ATOM 861 HD21 LEU 55 2.286 -33.633 27.910 1.00 30.11 ATOM 862 HD22 LEU 55 0.607 -34.029 28.279 1.00 15.20 ATOM 863 HD23 LEU 55 1.690 -33.503 29.567 1.00 45.15 ATOM 864 C LEU 55 0.761 -29.036 29.353 1.00 11.35 ATOM 865 O LEU 55 -0.408 -29.078 28.984 1.00 51.32 ATOM 866 N GLU 56 1.116 -28.606 30.566 1.00 32.12 ATOM 867 HN GLU 56 2.061 -28.641 30.822 1.00 37.22 ATOM 868 CA GLU 56 0.128 -28.107 31.539 1.00 43.43 ATOM 869 HA GLU 56 -0.674 -28.831 31.585 1.00 53.13 ATOM 870 CB GLU 56 0.760 -27.991 32.937 1.00 44.20 ATOM 871 HB1 GLU 56 0.078 -27.459 33.586 1.00 37.22 ATOM 872 HB2 GLU 56 1.679 -27.426 32.858 1.00 4.00 ATOM 873 CG GLU 56 1.079 -29.335 33.583 1.00 32.51 ATOM 874 HG1 GLU 56 1.576 -29.158 34.527 1.00 37.22 ATOM 875 HG2 GLU 56 1.743 -29.887 32.931 1.00 60.44 ATOM 876 CD GLU 56 -0.166 -30.175 33.838 1.00 51.41 ATOM 877 OE1 GLU 56 -0.553 -30.963 32.954 1.00 64.50 ATOM 878 OE2 GLU 56 -0.765 -30.050 34.929 1.00 41.32 ATOM 879 C GLU 56 -0.470 -26.753 31.117 1.00 52.11 ATOM 880 O GLU 56 -1.588 -26.417 31.502 1.00 21.25 ATOM 881 N ARG 57 0.280 -25.970 30.343 1.00 34.32 ATOM 882 HN ARG 57 1.201 -26.246 30.136 1.00 37.22 ATOM 883 CA ARG 57 -0.235 -24.701 29.805 1.00 72.33 ATOM 884 HA ARG 57 -0.658 -24.140 30.627 1.00 50.00 ATOM 885 CB ARG 57 0.901 -23.879 29.173 1.00 71.43 ATOM 886 HB1 ARG 57 0.473 -23.010 28.692 1.00 37.22 ATOM 887 HB2 ARG 57 1.394 -24.483 28.425 1.00 55.30 ATOM 888 CG ARG 57 1.954 -23.400 30.167 1.00 34.21 ATOM 889 HG1 ARG 57 2.751 -22.911 29.624 1.00 37.22 ATOM 890 HG2 ARG 57 2.351 -24.254 30.696 1.00 71.43 ATOM 891 CD ARG 57 1.371 -22.419 31.180 1.00 53.02 ATOM 892 HD1 ARG 57 0.606 -22.926 31.752 1.00 37.22 ATOM 893 HD2 ARG 57 0.929 -21.590 30.645 1.00 23.42 ATOM 894 NE ARG 57 2.390 -21.907 32.096 1.00 14.11 ATOM 895 HE ARG 57 3.230 -22.401 32.157 1.00 5.42 ATOM 896 CZ ARG 57 2.250 -20.834 32.828 1.00 4.23 ATOM 897 NH1 ARG 57 1.159 -20.138 32.784 1.00 63.32 ATOM 898 HH11 ARG 57 0.412 -20.417 32.186 1.00 51.13 ATOM 899 HH12 ARG 57 1.068 -19.319 33.348 1.00 71.35 ATOM 900 NH2 ARG 57 3.208 -20.464 33.610 1.00 62.54 ATOM 901 HH21 ARG 57 4.048 -21.000 33.655 1.00 3.13 ATOM 902 HH22 ARG 57 3.112 -19.636 34.160 1.00 60.02 ATOM 903 C ARG 57 -1.334 -24.945 28.759 1.00 44.15 ATOM 904 O ARG 57 -2.320 -24.212 28.691 1.00 33.44 ATOM 905 N LEU 58 -1.146 -25.979 27.946 1.00 43.52 ATOM 906 HN LEU 58 -0.342 -26.528 28.063 1.00 37.22 ATOM 907 CA LEU 58 -2.090 -26.321 26.875 1.00 12.15 ATOM 908 HA LEU 58 -2.527 -25.403 26.505 1.00 3.42 ATOM 909 CB LEU 58 -1.323 -27.004 25.734 1.00 54.45 ATOM 910 HB1 LEU 58 -2.010 -27.177 24.918 1.00 37.22 ATOM 911 HB2 LEU 58 -0.965 -27.960 26.093 1.00 22.43 ATOM 912 CG LEU 58 -0.121 -26.205 25.195 1.00 5.14 ATOM 913 HG LEU 58 0.552 -25.993 26.015 1.00 42.00 ATOM 914 CD1 LEU 58 0.654 -27.010 24.159 1.00 63.01 ATOM 915 HD11 LEU 58 1.523 -26.450 23.845 1.00 30.32 ATOM 916 HD12 LEU 58 0.024 -27.203 23.304 1.00 43.54 ATOM 917 HD13 LEU 58 0.969 -27.947 24.593 1.00 44.32 ATOM 918 CD2 LEU 58 -0.579 -24.870 24.611 1.00 34.51 ATOM 919 HD21 LEU 58 0.272 -24.340 24.207 1.00 72.11 ATOM 920 HD22 LEU 58 -1.035 -24.275 25.388 1.00 42.12 ATOM 921 HD23 LEU 58 -1.300 -25.046 23.824 1.00 22.03 ATOM 922 C LEU 58 -3.217 -27.240 27.389 1.00 62.04 ATOM 923 O LEU 58 -4.384 -27.091 27.019 1.00 60.32 ATOM 924 N LEU 59 -2.852 -28.186 28.250 1.00 72.55 ATOM 925 HN LEU 59 -1.914 -28.243 28.508 1.00 37.22 ATOM 926 CA LEU 59 -3.803 -29.141 28.838 1.00 3.31 ATOM 927 HA LEU 59 -4.804 -28.787 28.635 1.00 2.44 ATOM 928 CB LEU 59 -3.626 -30.535 28.207 1.00 63.53 ATOM 929 HB1 LEU 59 -4.298 -31.219 28.707 1.00 37.22 ATOM 930 HB2 LEU 59 -2.612 -30.860 28.394 1.00 34.22 ATOM 931 CG LEU 59 -3.887 -30.627 26.694 1.00 23.12 ATOM 932 HG LEU 59 -3.274 -29.896 26.185 1.00 31.52 ATOM 933 CD1 LEU 59 -3.503 -32.007 26.167 1.00 45.11 ATOM 934 HD11 LEU 59 -4.085 -32.765 26.673 1.00 31.43 ATOM 935 HD12 LEU 59 -2.453 -32.182 26.347 1.00 54.43 ATOM 936 HD13 LEU 59 -3.697 -32.055 25.106 1.00 2.44 ATOM 937 CD2 LEU 59 -5.348 -30.320 26.375 1.00 40.04 ATOM 938 HD21 LEU 59 -5.987 -31.034 26.878 1.00 14.52 ATOM 939 HD22 LEU 59 -5.506 -30.387 25.308 1.00 13.23 ATOM 940 HD23 LEU 59 -5.587 -29.323 26.711 1.00 72.41 ATOM 941 C LEU 59 -3.612 -29.240 30.366 1.00 3.03 ATOM 942 O LEU 59 -3.020 -30.199 30.861 1.00 35.53 ATOM 943 N PRO 60 -4.099 -28.241 31.132 1.00 34.11 ATOM 944 CA PRO 60 -3.949 -28.217 32.603 1.00 44.11 ATOM 945 HA PRO 60 -2.915 -28.062 32.887 1.00 14.31 ATOM 946 CB PRO 60 -4.780 -26.993 33.024 1.00 25.11 ATOM 947 HB1 PRO 60 -4.308 -26.500 33.864 1.00 37.22 ATOM 948 HB2 PRO 60 -5.779 -27.306 33.301 1.00 64.54 ATOM 949 CG PRO 60 -4.799 -26.116 31.818 1.00 13.40 ATOM 950 HG1 PRO 60 -3.914 -25.496 31.798 1.00 37.22 ATOM 951 HG2 PRO 60 -5.688 -25.499 31.825 1.00 43.54 ATOM 952 CD PRO 60 -4.814 -27.049 30.635 1.00 42.14 ATOM 953 HD1 PRO 60 -4.292 -26.608 29.798 1.00 37.22 ATOM 954 HD2 PRO 60 -5.831 -27.296 30.359 1.00 71.41 ATOM 955 C PRO 60 -4.475 -29.488 33.294 1.00 21.22 ATOM 956 O PRO 60 -5.615 -29.913 33.067 1.00 65.11 ATOM 957 N GLY 61 -3.633 -30.101 34.125 1.00 43.40 ATOM 958 HN GLY 61 -2.712 -29.766 34.209 1.00 37.22 ATOM 959 CA GLY 61 -4.048 -31.265 34.901 1.00 54.24 ATOM 960 HA1 GLY 61 -5.107 -31.190 35.104 1.00 37.22 ATOM 961 HA2 GLY 61 -3.518 -31.253 35.841 1.00 5.42 ATOM 962 C GLY 61 -3.774 -32.595 34.209 1.00 40.32 ATOM 963 O GLY 61 -4.431 -33.597 34.500 1.00 51.12 ATOM 964 N THR 62 -2.810 -32.610 33.294 1.00 24.33 ATOM 965 HN THR 62 -2.343 -31.769 33.080 1.00 37.22 ATOM 966 CA THR 62 -2.423 -33.842 32.593 1.00 54.14 ATOM 967 HA THR 62 -3.273 -34.512 32.604 1.00 72.41 ATOM 968 CB THR 62 -2.047 -33.564 31.115 1.00 32.22 ATOM 969 HB THR 62 -1.196 -32.898 31.093 1.00 64.45 ATOM 970 OG1 THR 62 -3.146 -32.937 30.435 1.00 61.22 ATOM 971 HG1 THR 62 -2.987 -31.985 30.392 1.00 1.22 ATOM 972 CG2 THR 62 -1.677 -34.853 30.388 1.00 42.25 ATOM 973 HG21 THR 62 -1.452 -34.631 29.354 1.00 73.03 ATOM 974 HG22 THR 62 -2.503 -35.546 30.434 1.00 15.52 ATOM 975 HG23 THR 62 -0.810 -35.295 30.857 1.00 33.33 ATOM 976 C THR 62 -1.242 -34.530 33.294 1.00 44.32 ATOM 977 O THR 62 -1.259 -35.744 33.522 1.00 64.21 ATOM 978 N ILE 63 -0.221 -33.748 33.640 1.00 74.13 ATOM 979 HN ILE 63 -0.265 -32.789 33.429 1.00 37.22 ATOM 980 CA ILE 63 0.966 -34.269 34.326 1.00 64.53 ATOM 981 HA ILE 63 1.264 -35.183 33.828 1.00 42.34 ATOM 982 CB ILE 63 2.146 -33.266 34.241 1.00 23.03 ATOM 983 HB ILE 63 1.866 -32.372 34.782 1.00 14.13 ATOM 984 CG1 ILE 63 2.436 -32.891 32.775 1.00 42.14 ATOM 985 HG11 ILE 63 3.231 -32.159 32.748 1.00 37.22 ATOM 986 HG12 ILE 63 1.547 -32.461 32.338 1.00 53.31 ATOM 987 CG2 ILE 63 3.398 -33.843 34.906 1.00 4.21 ATOM 988 HG21 ILE 63 3.195 -34.037 35.949 1.00 65.43 ATOM 989 HG22 ILE 63 4.210 -33.134 34.825 1.00 5.34 ATOM 990 HG23 ILE 63 3.677 -34.765 34.416 1.00 62.33 ATOM 991 CD1 ILE 63 2.853 -34.061 31.906 1.00 10.44 ATOM 992 HD11 ILE 63 3.035 -33.713 30.899 1.00 71.40 ATOM 993 HD12 ILE 63 2.067 -34.802 31.894 1.00 43.04 ATOM 994 HD13 ILE 63 3.757 -34.501 32.302 1.00 50.34 ATOM 995 C ILE 63 0.665 -34.585 35.803 1.00 21.40 ATOM 996 O ILE 63 0.635 -33.688 36.652 1.00 0.53 ATOM 997 N GLU 64 0.433 -35.865 36.095 1.00 11.21 ATOM 998 HN GLU 64 0.462 -36.525 35.372 1.00 37.22 ATOM 999 CA GLU 64 0.114 -36.319 37.456 1.00 24.31 ATOM 1000 HA GLU 64 -0.775 -35.795 37.776 1.00 31.03 ATOM 1001 CB GLU 64 -0.180 -37.826 37.443 1.00 72.42 ATOM 1002 HB1 GLU 64 0.707 -38.350 37.114 1.00 37.22 ATOM 1003 HB2 GLU 64 -0.978 -38.018 36.738 1.00 44.10 ATOM 1004 CG GLU 64 -0.594 -38.390 38.797 1.00 15.34 ATOM 1005 HG1 GLU 64 -1.489 -37.879 39.125 1.00 37.22 ATOM 1006 HG2 GLU 64 0.200 -38.209 39.506 1.00 42.01 ATOM 1007 CD GLU 64 -0.876 -39.884 38.752 1.00 61.12 ATOM 1008 OE1 GLU 64 -0.003 -40.676 39.172 1.00 65.21 ATOM 1009 OE2 GLU 64 -1.969 -40.275 38.292 1.00 43.23 ATOM 1010 C GLU 64 1.252 -36.007 38.447 1.00 0.32 ATOM 1011 O GLU 64 1.008 -35.612 39.588 1.00 54.44 ATOM 1012 N LYS 65 2.493 -36.185 38.000 1.00 70.51 ATOM 1013 HN LYS 65 2.625 -36.500 37.083 1.00 37.22 ATOM 1014 CA LYS 65 3.669 -35.929 38.839 1.00 40.13 ATOM 1015 HA LYS 65 3.422 -35.136 39.531 1.00 64.02 ATOM 1016 CB LYS 65 4.038 -37.193 39.633 1.00 51.13 ATOM 1017 HB1 LYS 65 4.250 -37.993 38.937 1.00 37.22 ATOM 1018 HB2 LYS 65 3.191 -37.479 40.243 1.00 23.23 ATOM 1019 CG LYS 65 5.251 -37.018 40.548 1.00 11.20 ATOM 1020 HG1 LYS 65 4.983 -36.355 41.361 1.00 37.22 ATOM 1021 HG2 LYS 65 6.057 -36.579 39.979 1.00 41.42 ATOM 1022 CD LYS 65 5.730 -38.346 41.130 1.00 45.30 ATOM 1023 HD1 LYS 65 6.008 -39.004 40.318 1.00 37.22 ATOM 1024 HD2 LYS 65 4.924 -38.792 41.696 1.00 15.23 ATOM 1025 CE LYS 65 6.933 -38.158 42.049 1.00 5.12 ATOM 1026 HE1 LYS 65 6.614 -37.631 42.938 1.00 37.22 ATOM 1027 HE2 LYS 65 7.679 -37.570 41.533 1.00 64.40 ATOM 1028 NZ LYS 65 7.538 -39.457 42.449 1.00 71.33 ATOM 1029 HZ1 LYS 65 6.823 -40.069 42.888 1.00 51.42 ATOM 1030 HZ2 LYS 65 8.304 -39.300 43.133 1.00 13.10 ATOM 1031 HZ3 LYS 65 7.931 -39.944 41.615 1.00 62.02 ATOM 1032 C LYS 65 4.869 -35.488 37.983 1.00 2.41 ATOM 1033 O LYS 65 5.161 -36.100 36.956 1.00 63.32 ATOM 1034 N VAL 66 5.552 -34.426 38.403 1.00 72.30 ATOM 1035 HN VAL 66 5.232 -33.935 39.187 1.00 37.22 ATOM 1036 CA VAL 66 6.771 -33.969 37.722 1.00 22.21 ATOM 1037 HA VAL 66 7.125 -34.781 37.098 1.00 1.23 ATOM 1038 CB VAL 66 6.500 -32.741 36.811 1.00 13.04 ATOM 1039 HB VAL 66 5.735 -33.014 36.097 1.00 71.34 ATOM 1040 CG1 VAL 66 5.982 -31.559 37.627 1.00 74.32 ATOM 1041 HG11 VAL 66 6.726 -31.276 38.360 1.00 24.32 ATOM 1042 HG12 VAL 66 5.070 -31.841 38.132 1.00 74.33 ATOM 1043 HG13 VAL 66 5.787 -30.724 36.971 1.00 64.22 ATOM 1044 CG2 VAL 66 7.758 -32.352 36.031 1.00 44.54 ATOM 1045 HG21 VAL 66 8.070 -33.184 35.416 1.00 62.24 ATOM 1046 HG22 VAL 66 8.551 -32.098 36.720 1.00 2.44 ATOM 1047 HG23 VAL 66 7.543 -31.501 35.400 1.00 14.44 ATOM 1048 C VAL 66 7.871 -33.617 38.735 1.00 61.53 ATOM 1049 O VAL 66 7.602 -33.034 39.788 1.00 12.11 ATOM 1050 N TYR 67 9.105 -33.991 38.411 1.00 42.45 ATOM 1051 HN TYR 67 9.245 -34.476 37.571 1.00 37.22 ATOM 1052 CA TYR 67 10.261 -33.702 39.262 1.00 51.20 ATOM 1053 HA TYR 67 9.922 -33.660 40.289 1.00 40.12 ATOM 1054 CB TYR 67 11.307 -34.822 39.127 1.00 22.33 ATOM 1055 HB1 TYR 67 12.127 -34.626 39.805 1.00 37.22 ATOM 1056 HB2 TYR 67 11.684 -34.834 38.113 1.00 4.41 ATOM 1057 CG TYR 67 10.762 -36.206 39.437 1.00 23.13 ATOM 1058 CD1 TYR 67 10.097 -36.948 38.464 1.00 31.03 ATOM 1059 HD1 TYR 67 9.973 -36.526 37.476 1.00 34.34 ATOM 1060 CD2 TYR 67 10.905 -36.767 40.702 1.00 10.24 ATOM 1061 HD2 TYR 67 11.418 -36.208 41.471 1.00 0.15 ATOM 1062 CE1 TYR 67 9.591 -38.203 38.744 1.00 42.54 ATOM 1063 HE1 TYR 67 9.080 -38.764 37.973 1.00 20.43 ATOM 1064 CE2 TYR 67 10.403 -38.023 40.987 1.00 21.12 ATOM 1065 HE2 TYR 67 10.525 -38.440 41.975 1.00 41.25 ATOM 1066 CZ TYR 67 9.747 -38.737 40.006 1.00 21.10 ATOM 1067 OH TYR 67 9.235 -39.983 40.296 1.00 34.53 ATOM 1068 HH TYR 67 9.488 -40.603 39.597 1.00 41.23 ATOM 1069 C TYR 67 10.893 -32.349 38.887 1.00 54.45 ATOM 1070 O TYR 67 11.595 -32.247 37.878 1.00 64.25 ATOM 1071 N PRO 68 10.663 -31.291 39.695 1.00 3.32 ATOM 1072 CA PRO 68 11.217 -29.954 39.422 1.00 43.34 ATOM 1073 HA PRO 68 11.051 -29.660 38.392 1.00 34.22 ATOM 1074 CB PRO 68 10.409 -29.044 40.355 1.00 72.21 ATOM 1075 HB1 PRO 68 9.539 -28.671 39.834 1.00 37.22 ATOM 1076 HB2 PRO 68 11.021 -28.213 40.679 1.00 62.21 ATOM 1077 CG PRO 68 10.021 -29.920 41.500 1.00 53.20 ATOM 1078 HG1 PRO 68 9.085 -29.579 41.921 1.00 37.22 ATOM 1079 HG2 PRO 68 10.797 -29.906 42.256 1.00 51.42 ATOM 1080 CD PRO 68 9.864 -31.314 40.939 1.00 63.40 ATOM 1081 HD1 PRO 68 8.824 -31.519 40.723 1.00 37.22 ATOM 1082 HD2 PRO 68 10.255 -32.046 41.632 1.00 3.31 ATOM 1083 C PRO 68 12.718 -29.882 39.734 1.00 3.40 ATOM 1084 O PRO 68 13.389 -28.887 39.446 1.00 44.35 ATOM 1085 N GLU 69 13.228 -30.952 40.337 1.00 24.02 ATOM 1086 HN GLU 69 12.619 -31.673 40.601 1.00 37.22 ATOM 1087 CA GLU 69 14.653 -31.100 40.627 1.00 4.11 ATOM 1088 HA GLU 69 15.200 -30.475 39.932 1.00 13.04 ATOM 1089 CB GLU 69 14.951 -30.629 42.060 1.00 51.22 ATOM 1090 HB1 GLU 69 14.875 -29.550 42.092 1.00 37.22 ATOM 1091 HB2 GLU 69 15.961 -30.915 42.321 1.00 11.20 ATOM 1092 CG GLU 69 14.003 -31.205 43.105 1.00 43.21 ATOM 1093 HG1 GLU 69 14.115 -32.281 43.121 1.00 37.22 ATOM 1094 HG2 GLU 69 12.988 -30.957 42.828 1.00 64.32 ATOM 1095 CD GLU 69 14.273 -30.665 44.498 1.00 4.21 ATOM 1096 OE1 GLU 69 13.806 -29.549 44.806 1.00 70.32 ATOM 1097 OE2 GLU 69 14.956 -31.350 45.288 1.00 22.42 ATOM 1098 C GLU 69 15.095 -32.562 40.414 1.00 12.35 ATOM 1099 O GLU 69 15.319 -33.312 41.369 1.00 55.25 ATOM 1100 N PRO 70 15.193 -32.998 39.144 1.00 12.03 ATOM 1101 CA PRO 70 15.597 -34.370 38.813 1.00 50.42 ATOM 1102 HA PRO 70 15.050 -35.093 39.405 1.00 43.03 ATOM 1103 CB PRO 70 15.193 -34.506 37.341 1.00 62.22 ATOM 1104 HB1 PRO 70 14.188 -34.900 37.274 1.00 37.22 ATOM 1105 HB2 PRO 70 15.878 -35.172 36.834 1.00 33.10 ATOM 1106 CG PRO 70 15.270 -33.118 36.795 1.00 5.33 ATOM 1107 HG1 PRO 70 14.564 -33.002 35.983 1.00 37.22 ATOM 1108 HG2 PRO 70 16.275 -32.918 36.446 1.00 14.14 ATOM 1109 CD PRO 70 14.919 -32.192 37.934 1.00 64.14 ATOM 1110 HD1 PRO 70 13.876 -31.911 37.888 1.00 37.22 ATOM 1111 HD2 PRO 70 15.546 -31.311 37.911 1.00 33.23 ATOM 1112 C PRO 70 17.105 -34.596 39.005 1.00 30.40 ATOM 1113 O PRO 70 17.929 -34.075 38.250 1.00 41.35 ATOM 1114 N ARG 71 17.455 -35.364 40.031 1.00 32.25 ATOM 1115 HN ARG 71 16.750 -35.780 40.577 1.00 37.22 ATOM 1116 CA ARG 71 18.858 -35.628 40.360 1.00 72.11 ATOM 1117 HA ARG 71 19.422 -34.722 40.184 1.00 61.40 ATOM 1118 CB ARG 71 18.986 -36.020 41.842 1.00 60.53 ATOM 1119 HB1 ARG 71 20.032 -36.008 42.117 1.00 37.22 ATOM 1120 HB2 ARG 71 18.601 -37.021 41.974 1.00 41.24 ATOM 1121 CG ARG 71 18.232 -35.093 42.796 1.00 63.23 ATOM 1122 HG1 ARG 71 18.378 -35.443 43.809 1.00 37.22 ATOM 1123 HG2 ARG 71 17.179 -35.127 42.555 1.00 53.13 ATOM 1124 CD ARG 71 18.711 -33.648 42.699 1.00 73.13 ATOM 1125 HD1 ARG 71 18.605 -33.313 41.676 1.00 37.22 ATOM 1126 HD2 ARG 71 19.753 -33.607 42.984 1.00 71.12 ATOM 1127 NE ARG 71 17.941 -32.762 43.569 1.00 52.34 ATOM 1128 HE ARG 71 17.046 -33.057 43.834 1.00 31.34 ATOM 1129 CZ ARG 71 18.367 -31.610 44.011 1.00 23.55 ATOM 1130 NH1 ARG 71 19.545 -31.173 43.698 1.00 75.41 ATOM 1131 HH11 ARG 71 20.141 -31.718 43.114 1.00 51.33 ATOM 1132 HH12 ARG 71 19.854 -30.286 44.044 1.00 12.34 ATOM 1133 NH2 ARG 71 17.610 -30.894 44.772 1.00 32.32 ATOM 1134 HH21 ARG 71 16.699 -31.220 45.022 1.00 12.51 ATOM 1135 HH22 ARG 71 17.939 -30.017 45.109 1.00 3.32 ATOM 1136 C ARG 71 19.416 -36.746 39.472 1.00 44.01 ATOM 1137 O ARG 71 20.473 -36.606 38.851 1.00 45.43 ATOM 1138 N SER 72 18.680 -37.852 39.414 1.00 32.02 ATOM 1139 HN SER 72 17.844 -37.889 39.930 1.00 37.22 ATOM 1140 CA SER 72 19.063 -39.009 38.598 1.00 11.43 ATOM 1141 HA SER 72 20.142 -39.050 38.557 1.00 43.52 ATOM 1142 CB SER 72 18.536 -40.306 39.233 1.00 73.10 ATOM 1143 HB1 SER 72 18.841 -41.150 38.629 1.00 37.22 ATOM 1144 HB2 SER 72 17.456 -40.268 39.281 1.00 30.43 ATOM 1145 OG SER 72 19.043 -40.485 40.550 1.00 23.43 ATOM 1146 HG SER 72 18.309 -40.495 41.178 1.00 62.32 ATOM 1147 C SER 72 18.513 -38.879 37.172 1.00 34.01 ATOM 1148 O SER 72 17.400 -38.387 36.970 1.00 20.21 ATOM 1149 N GLU 73 19.285 -39.345 36.191 1.00 72.20 ATOM 1150 HN GLU 73 20.155 -39.737 36.420 1.00 37.22 ATOM 1151 CA GLU 73 18.886 -39.277 34.775 1.00 21.51 ATOM 1152 HA GLU 73 18.886 -38.234 34.489 1.00 11.53 ATOM 1153 CB GLU 73 19.907 -40.027 33.896 1.00 33.33 ATOM 1154 HB1 GLU 73 20.897 -39.658 34.129 1.00 37.22 ATOM 1155 HB2 GLU 73 19.694 -39.810 32.858 1.00 0.52 ATOM 1156 CG GLU 73 19.913 -41.550 34.067 1.00 34.52 ATOM 1157 HG1 GLU 73 20.656 -41.969 33.401 1.00 37.22 ATOM 1158 HG2 GLU 73 18.940 -41.932 33.792 1.00 44.14 ATOM 1159 CD GLU 73 20.229 -42.002 35.488 1.00 32.03 ATOM 1160 OE1 GLU 73 19.312 -42.501 36.179 1.00 50.22 ATOM 1161 OE2 GLU 73 21.387 -41.849 35.924 1.00 55.54 ATOM 1162 C GLU 73 17.471 -39.846 34.546 1.00 13.34 ATOM 1163 O GLU 73 16.697 -39.315 33.750 1.00 63.32 ATOM 1164 N SER 74 17.137 -40.914 35.269 1.00 53.45 ATOM 1165 HN SER 74 17.797 -41.286 35.891 1.00 37.22 ATOM 1166 CA SER 74 15.822 -41.560 35.157 1.00 40.54 ATOM 1167 HA SER 74 15.693 -41.858 34.126 1.00 74.21 ATOM 1168 CB SER 74 15.765 -42.814 36.041 1.00 70.10 ATOM 1169 HB1 SER 74 14.775 -43.245 35.992 1.00 37.22 ATOM 1170 HB2 SER 74 15.987 -42.543 37.063 1.00 45.35 ATOM 1171 OG SER 74 16.708 -43.791 35.616 1.00 34.00 ATOM 1172 HG SER 74 17.577 -43.586 35.995 1.00 4.11 ATOM 1173 C SER 74 14.678 -40.606 35.536 1.00 71.22 ATOM 1174 O SER 74 13.584 -40.685 34.976 1.00 10.34 ATOM 1175 N GLU 75 14.933 -39.701 36.481 1.00 22.13 ATOM 1176 HN GLU 75 15.818 -39.685 36.902 1.00 37.22 ATOM 1177 CA GLU 75 13.925 -38.720 36.898 1.00 51.44 ATOM 1178 HA GLU 75 12.996 -39.253 37.060 1.00 63.12 ATOM 1179 CB GLU 75 14.343 -38.045 38.210 1.00 1.53 ATOM 1180 HB1 GLU 75 13.572 -37.346 38.506 1.00 37.22 ATOM 1181 HB2 GLU 75 15.263 -37.502 38.047 1.00 64.10 ATOM 1182 CG GLU 75 14.563 -39.026 39.359 1.00 52.31 ATOM 1183 HG1 GLU 75 15.360 -39.706 39.087 1.00 37.22 ATOM 1184 HG2 GLU 75 13.653 -39.589 39.513 1.00 11.02 ATOM 1185 CD GLU 75 14.937 -38.336 40.660 1.00 55.03 ATOM 1186 OE1 GLU 75 14.170 -38.437 41.644 1.00 34.04 ATOM 1187 OE2 GLU 75 15.999 -37.683 40.704 1.00 14.15 ATOM 1188 C GLU 75 13.701 -37.670 35.799 1.00 4.42 ATOM 1189 O GLU 75 12.568 -37.280 35.520 1.00 75.14 ATOM 1190 N CYS 76 14.789 -37.226 35.171 1.00 74.25 ATOM 1191 HN CYS 76 15.674 -37.504 35.494 1.00 37.22 ATOM 1192 CA CYS 76 14.703 -36.326 34.014 1.00 23.21 ATOM 1193 HA CYS 76 14.192 -35.426 34.325 1.00 21.42 ATOM 1194 CB CYS 76 16.107 -35.963 33.518 1.00 52.02 ATOM 1195 HB1 CYS 76 16.024 -35.256 32.704 1.00 37.22 ATOM 1196 HB2 CYS 76 16.598 -36.857 33.161 1.00 11.21 ATOM 1197 SG CYS 76 17.171 -35.228 34.781 1.00 33.00 ATOM 1198 HG CYS 76 17.187 -33.915 34.587 1.00 40.24 ATOM 1199 C CYS 76 13.911 -36.988 32.881 1.00 23.04 ATOM 1200 O CYS 76 12.984 -36.401 32.319 1.00 31.15 ATOM 1201 N LEU 77 14.286 -38.230 32.561 1.00 62.02 ATOM 1202 HN LEU 77 15.074 -38.614 33.002 1.00 37.22 ATOM 1203 CA LEU 77 13.568 -39.034 31.567 1.00 2.34 ATOM 1204 HA LEU 77 13.639 -38.525 30.616 1.00 73.15 ATOM 1205 CB LEU 77 14.208 -40.426 31.438 1.00 42.11 ATOM 1206 HB1 LEU 77 13.638 -40.995 30.716 1.00 37.22 ATOM 1207 HB2 LEU 77 14.131 -40.921 32.398 1.00 1.32 ATOM 1208 CG LEU 77 15.683 -40.440 31.006 1.00 52.43 ATOM 1209 HG LEU 77 16.266 -39.887 31.729 1.00 41.22 ATOM 1210 CD1 LEU 77 16.219 -41.869 30.974 1.00 55.24 ATOM 1211 HD11 LEU 77 17.255 -41.859 30.666 1.00 21.22 ATOM 1212 HD12 LEU 77 15.641 -42.458 30.275 1.00 51.51 ATOM 1213 HD13 LEU 77 16.143 -42.303 31.960 1.00 21.11 ATOM 1214 CD2 LEU 77 15.860 -39.766 29.648 1.00 62.30 ATOM 1215 HD21 LEU 77 15.540 -38.735 29.712 1.00 64.21 ATOM 1216 HD22 LEU 77 15.266 -40.279 28.907 1.00 25.53 ATOM 1217 HD23 LEU 77 16.901 -39.800 29.359 1.00 64.20 ATOM 1218 C LEU 77 12.086 -39.178 31.941 1.00 65.43 ATOM 1219 O LEU 77 11.216 -39.152 31.074 1.00 41.42 ATOM 1220 N SER 78 11.814 -39.327 33.240 1.00 14.25 ATOM 1221 HN SER 78 12.558 -39.371 33.877 1.00 37.22 ATOM 1222 CA SER 78 10.438 -39.428 33.747 1.00 14.23 ATOM 1223 HA SER 78 9.999 -40.327 33.335 1.00 5.13 ATOM 1224 CB SER 78 10.440 -39.532 35.281 1.00 13.32 ATOM 1225 HB1 SER 78 10.823 -38.613 35.701 1.00 37.22 ATOM 1226 HB2 SER 78 11.075 -40.351 35.583 1.00 71.14 ATOM 1227 OG SER 78 9.140 -39.760 35.798 1.00 14.11 ATOM 1228 HG SER 78 8.509 -39.151 35.383 1.00 3.54 ATOM 1229 C SER 78 9.601 -38.221 33.305 1.00 55.01 ATOM 1230 O SER 78 8.561 -38.377 32.664 1.00 30.20 ATOM 1231 N ASN 79 10.083 -37.018 33.626 1.00 3.42 ATOM 1232 HN ASN 79 10.909 -36.964 34.154 1.00 37.22 ATOM 1233 CA ASN 79 9.412 -35.771 33.226 1.00 24.14 ATOM 1234 HA ASN 79 8.482 -35.706 33.772 1.00 63.53 ATOM 1235 CB ASN 79 10.286 -34.563 33.583 1.00 22.12 ATOM 1236 HB1 ASN 79 9.768 -33.656 33.302 1.00 37.22 ATOM 1237 HB2 ASN 79 11.216 -34.623 33.034 1.00 0.50 ATOM 1238 CG ASN 79 10.610 -34.486 35.064 1.00 75.11 ATOM 1239 OD1 ASN 79 9.848 -34.947 35.903 1.00 42.22 ATOM 1240 ND2 ASN 79 11.744 -33.904 35.398 1.00 24.35 ATOM 1241 HD21 ASN 79 12.316 -33.559 34.681 1.00 72.33 ATOM 1242 HD22 ASN 79 11.959 -33.830 36.349 1.00 65.01 ATOM 1243 C ASN 79 9.103 -35.756 31.716 1.00 50.15 ATOM 1244 O ASN 79 8.009 -35.368 31.289 1.00 15.53 ATOM 1245 N ILE 80 10.075 -36.189 30.913 1.00 31.43 ATOM 1246 HN ILE 80 10.933 -36.459 31.307 1.00 37.22 ATOM 1247 CA ILE 80 9.896 -36.265 29.461 1.00 31.01 ATOM 1248 HA ILE 80 9.586 -35.286 29.116 1.00 64.30 ATOM 1249 CB ILE 80 11.221 -36.633 28.739 1.00 12.41 ATOM 1250 HB ILE 80 11.509 -37.628 29.049 1.00 72.10 ATOM 1251 CG1 ILE 80 12.339 -35.647 29.121 1.00 4.01 ATOM 1252 HG11 ILE 80 12.471 -35.663 30.193 1.00 37.22 ATOM 1253 HG12 ILE 80 12.054 -34.651 28.815 1.00 30.33 ATOM 1254 CG2 ILE 80 11.019 -36.649 27.224 1.00 40.51 ATOM 1255 HG21 ILE 80 11.949 -36.906 26.737 1.00 41.54 ATOM 1256 HG22 ILE 80 10.698 -35.672 26.892 1.00 21.32 ATOM 1257 HG23 ILE 80 10.266 -37.381 26.967 1.00 21.00 ATOM 1258 CD1 ILE 80 13.680 -35.959 28.486 1.00 35.54 ATOM 1259 HD11 ILE 80 14.405 -35.219 28.795 1.00 60.23 ATOM 1260 HD12 ILE 80 13.585 -35.939 27.409 1.00 21.23 ATOM 1261 HD13 ILE 80 14.010 -36.938 28.801 1.00 0.54 ATOM 1262 C ILE 80 8.811 -37.290 29.082 1.00 73.32 ATOM 1263 O ILE 80 7.972 -37.026 28.220 1.00 2.22 ATOM 1264 N ARG 81 8.819 -38.453 29.740 1.00 40.21 ATOM 1265 HN ARG 81 9.488 -38.598 30.444 1.00 37.22 ATOM 1266 CA ARG 81 7.843 -39.513 29.446 1.00 72.52 ATOM 1267 HA ARG 81 7.910 -39.729 28.388 1.00 15.52 ATOM 1268 CB ARG 81 8.156 -40.795 30.227 1.00 10.41 ATOM 1269 HB1 ARG 81 7.387 -41.526 30.017 1.00 37.22 ATOM 1270 HB2 ARG 81 8.141 -40.568 31.285 1.00 44.30 ATOM 1271 CG ARG 81 9.508 -41.416 29.894 1.00 3.41 ATOM 1272 HG1 ARG 81 10.291 -40.734 30.194 1.00 37.22 ATOM 1273 HG2 ARG 81 9.566 -41.585 28.827 1.00 33.45 ATOM 1274 CD ARG 81 9.706 -42.744 30.617 1.00 73.45 ATOM 1275 HD1 ARG 81 10.744 -43.036 30.535 1.00 37.22 ATOM 1276 HD2 ARG 81 9.086 -43.493 30.144 1.00 52.44 ATOM 1277 NE ARG 81 9.343 -42.652 32.031 1.00 14.24 ATOM 1278 HE ARG 81 8.419 -42.406 32.241 1.00 43.21 ATOM 1279 CZ ARG 81 10.152 -42.889 33.024 1.00 62.41 ATOM 1280 NH1 ARG 81 11.393 -43.198 32.813 1.00 33.13 ATOM 1281 HH11 ARG 81 11.742 -43.257 31.880 1.00 14.15 ATOM 1282 HH12 ARG 81 11.996 -43.382 33.589 1.00 44.12 ATOM 1283 NH2 ARG 81 9.720 -42.803 34.239 1.00 50.30 ATOM 1284 HH21 ARG 81 8.767 -42.556 34.414 1.00 55.04 ATOM 1285 HH22 ARG 81 10.343 -42.979 35.000 1.00 71.43 ATOM 1286 C ARG 81 6.410 -39.062 29.753 1.00 22.12 ATOM 1287 O ARG 81 5.502 -39.303 28.962 1.00 71.31 ATOM 1288 N GLU 82 6.210 -38.419 30.903 1.00 42.14 ATOM 1289 HN GLU 82 6.957 -38.320 31.534 1.00 37.22 ATOM 1290 CA GLU 82 4.894 -37.876 31.264 1.00 65.20 ATOM 1291 HA GLU 82 4.195 -38.702 31.257 1.00 24.30 ATOM 1292 CB GLU 82 4.922 -37.271 32.679 1.00 22.25 ATOM 1293 HB1 GLU 82 4.152 -36.516 32.753 1.00 37.22 ATOM 1294 HB2 GLU 82 5.883 -36.803 32.835 1.00 32.33 ATOM 1295 CG GLU 82 4.697 -38.289 33.803 1.00 50.20 ATOM 1296 HG1 GLU 82 3.739 -38.766 33.645 1.00 37.22 ATOM 1297 HG2 GLU 82 4.673 -37.759 34.744 1.00 53.05 ATOM 1298 CD GLU 82 5.770 -39.371 33.888 1.00 23.53 ATOM 1299 OE1 GLU 82 6.672 -39.253 34.743 1.00 42.43 ATOM 1300 OE2 GLU 82 5.704 -40.355 33.120 1.00 22.13 ATOM 1301 C GLU 82 4.414 -36.838 30.234 1.00 55.13 ATOM 1302 O GLU 82 3.227 -36.782 29.899 1.00 31.12 ATOM 1303 N PHE 83 5.340 -36.026 29.724 1.00 61.43 ATOM 1304 HN PHE 83 6.250 -36.048 30.093 1.00 37.22 ATOM 1305 CA PHE 83 5.032 -35.098 28.628 1.00 3.25 ATOM 1306 HA PHE 83 4.236 -34.444 28.959 1.00 40.20 ATOM 1307 CB PHE 83 6.271 -34.251 28.296 1.00 12.31 ATOM 1308 HB1 PHE 83 7.121 -34.908 28.169 1.00 37.22 ATOM 1309 HB2 PHE 83 6.469 -33.578 29.119 1.00 34.03 ATOM 1310 CG PHE 83 6.133 -33.417 27.044 1.00 1.34 ATOM 1311 CD1 PHE 83 6.835 -33.749 25.891 1.00 45.23 ATOM 1312 HD1 PHE 83 7.483 -34.614 25.896 1.00 53.10 ATOM 1313 CD2 PHE 83 5.306 -32.303 27.020 1.00 35.53 ATOM 1314 HD2 PHE 83 4.754 -32.033 27.909 1.00 70.11 ATOM 1315 CE1 PHE 83 6.713 -32.988 24.745 1.00 24.52 ATOM 1316 HE1 PHE 83 7.264 -33.259 23.854 1.00 32.14 ATOM 1317 CE2 PHE 83 5.181 -31.539 25.876 1.00 31.44 ATOM 1318 HE2 PHE 83 4.534 -30.674 25.871 1.00 74.50 ATOM 1319 CZ PHE 83 5.886 -31.882 24.736 1.00 13.30 ATOM 1320 HZ PHE 83 5.789 -31.286 23.839 1.00 23.03 ATOM 1321 C PHE 83 4.556 -35.869 27.382 1.00 43.32 ATOM 1322 O PHE 83 3.553 -35.517 26.755 1.00 21.34 ATOM 1323 N LEU 84 5.283 -36.930 27.043 1.00 32.30 ATOM 1324 HN LEU 84 6.090 -37.135 27.563 1.00 37.22 ATOM 1325 CA LEU 84 4.925 -37.797 25.915 1.00 2.03 ATOM 1326 HA LEU 84 4.769 -37.169 25.048 1.00 71.10 ATOM 1327 CB LEU 84 6.073 -38.774 25.624 1.00 31.51 ATOM 1328 HB1 LEU 84 5.805 -39.366 24.759 1.00 37.22 ATOM 1329 HB2 LEU 84 6.177 -39.436 26.473 1.00 11.21 ATOM 1330 CG LEU 84 7.438 -38.118 25.352 1.00 62.20 ATOM 1331 HG LEU 84 7.695 -37.484 26.189 1.00 73.31 ATOM 1332 CD1 LEU 84 8.532 -39.176 25.221 1.00 54.54 ATOM 1333 HD11 LEU 84 8.287 -39.853 24.415 1.00 45.32 ATOM 1334 HD12 LEU 84 8.610 -39.732 26.144 1.00 22.51 ATOM 1335 HD13 LEU 84 9.477 -38.695 25.012 1.00 55.14 ATOM 1336 CD2 LEU 84 7.376 -37.241 24.103 1.00 53.33 ATOM 1337 HD21 LEU 84 8.346 -36.799 23.923 1.00 1.45 ATOM 1338 HD22 LEU 84 6.647 -36.457 24.248 1.00 43.30 ATOM 1339 HD23 LEU 84 7.093 -37.842 23.252 1.00 21.00 ATOM 1340 C LEU 84 3.631 -38.578 26.204 1.00 13.13 ATOM 1341 O LEU 84 2.872 -38.909 25.292 1.00 62.14 ATOM 1342 N ARG 85 3.390 -38.855 27.485 1.00 24.45 ATOM 1343 HN ARG 85 4.030 -38.543 28.158 1.00 37.22 ATOM 1344 CA ARG 85 2.206 -39.600 27.931 1.00 43.23 ATOM 1345 HA ARG 85 2.188 -40.547 27.409 1.00 32.01 ATOM 1346 CB ARG 85 2.302 -39.857 29.446 1.00 23.03 ATOM 1347 HB1 ARG 85 2.134 -38.924 29.965 1.00 37.22 ATOM 1348 HB2 ARG 85 3.302 -40.200 29.674 1.00 21.44 ATOM 1349 CG ARG 85 1.314 -40.888 29.995 1.00 73.13 ATOM 1350 HG1 ARG 85 0.311 -40.597 29.712 1.00 37.22 ATOM 1351 HG2 ARG 85 1.391 -40.905 31.073 1.00 72.20 ATOM 1352 CD ARG 85 1.593 -42.293 29.461 1.00 53.24 ATOM 1353 HD1 ARG 85 1.238 -42.354 28.441 1.00 37.22 ATOM 1354 HD2 ARG 85 1.059 -43.011 30.069 1.00 31.45 ATOM 1355 NE ARG 85 3.021 -42.614 29.484 1.00 23.21 ATOM 1356 HE ARG 85 3.578 -42.217 28.787 1.00 21.13 ATOM 1357 CZ ARG 85 3.609 -43.394 30.357 1.00 64.02 ATOM 1358 NH1 ARG 85 2.939 -43.952 31.315 1.00 71.20 ATOM 1359 HH11 ARG 85 1.963 -43.794 31.396 1.00 2.10 ATOM 1360 HH12 ARG 85 3.411 -44.537 31.976 1.00 2.44 ATOM 1361 NH2 ARG 85 4.877 -43.609 30.258 1.00 54.43 ATOM 1362 HH21 ARG 85 5.396 -43.180 29.521 1.00 35.03 ATOM 1363 HH22 ARG 85 5.340 -44.208 30.912 1.00 22.22 ATOM 1364 C ARG 85 0.924 -38.819 27.604 1.00 72.01 ATOM 1365 O ARG 85 0.023 -39.333 26.939 1.00 14.22 ATOM 1366 N GLY 86 0.865 -37.567 28.062 1.00 54.32 ATOM 1367 HN GLY 86 1.608 -37.220 28.605 1.00 37.22 ATOM 1368 CA GLY 86 -0.281 -36.710 27.772 1.00 14.55 ATOM 1369 HA1 GLY 86 -0.153 -35.771 28.293 1.00 37.22 ATOM 1370 HA2 GLY 86 -1.178 -37.188 28.139 1.00 12.11 ATOM 1371 C GLY 86 -0.447 -36.427 26.283 1.00 42.01 ATOM 1372 O GLY 86 -1.557 -36.490 25.745 1.00 33.44 ATOM 1373 N CYS 87 0.660 -36.122 25.610 1.00 24.03 ATOM 1374 HN CYS 87 1.514 -36.057 26.097 1.00 37.22 ATOM 1375 CA CYS 87 0.642 -35.858 24.166 1.00 71.14 ATOM 1376 HA CYS 87 -0.085 -35.078 23.987 1.00 11.32 ATOM 1377 CB CYS 87 2.013 -35.364 23.697 1.00 24.12 ATOM 1378 HB1 CYS 87 2.007 -35.266 22.621 1.00 37.22 ATOM 1379 HB2 CYS 87 2.765 -36.086 23.983 1.00 61.31 ATOM 1380 SG CYS 87 2.496 -33.766 24.393 1.00 14.13 ATOM 1381 HG CYS 87 3.634 -33.938 25.046 1.00 43.15 ATOM 1382 C CYS 87 0.231 -37.102 23.361 1.00 62.12 ATOM 1383 O CYS 87 -0.416 -36.988 22.323 1.00 12.52 ATOM 1384 N GLY 88 0.608 -38.284 23.844 1.00 14.15 ATOM 1385 HN GLY 88 1.138 -38.317 24.668 1.00 37.22 ATOM 1386 CA GLY 88 0.263 -39.526 23.155 1.00 70.51 ATOM 1387 HA1 GLY 88 0.974 -40.288 23.442 1.00 37.22 ATOM 1388 HA2 GLY 88 0.344 -39.368 22.088 1.00 12.23 ATOM 1389 C GLY 88 -1.146 -40.030 23.470 1.00 71.21 ATOM 1390 O GLY 88 -1.741 -40.756 22.675 1.00 42.21 ATOM 1391 N ALA 89 -1.676 -39.653 24.634 1.00 31.12 ATOM 1392 HN ALA 89 -1.149 -39.083 25.232 1.00 37.22 ATOM 1393 CA ALA 89 -3.016 -40.087 25.059 1.00 12.31 ATOM 1394 HA ALA 89 -3.218 -41.044 24.592 1.00 23.25 ATOM 1395 CB ALA 89 -3.042 -40.293 26.570 1.00 41.34 ATOM 1396 HB1 ALA 89 -2.888 -39.346 27.066 1.00 35.43 ATOM 1397 HB2 ALA 89 -2.257 -40.980 26.854 1.00 73.21 ATOM 1398 HB3 ALA 89 -3.999 -40.702 26.863 1.00 31.23 ATOM 1399 C ALA 89 -4.116 -39.092 24.638 1.00 5.30 ATOM 1400 O ALA 89 -5.105 -39.474 24.009 1.00 70.11 ATOM 1401 N SER 90 -3.946 -37.820 25.001 1.00 41.24 ATOM 1402 HN SER 90 -3.132 -37.572 25.488 1.00 37.22 ATOM 1403 CA SER 90 -4.945 -36.776 24.699 1.00 41.11 ATOM 1404 HA SER 90 -5.927 -37.226 24.769 1.00 4.14 ATOM 1405 CB SER 90 -4.850 -35.634 25.728 1.00 43.32 ATOM 1406 HB1 SER 90 -3.842 -35.246 25.739 1.00 37.22 ATOM 1407 HB2 SER 90 -5.095 -36.014 26.709 1.00 73.53 ATOM 1408 OG SER 90 -5.743 -34.572 25.421 1.00 53.01 ATOM 1409 HG SER 90 -5.859 -34.017 26.204 1.00 11.23 ATOM 1410 C SER 90 -4.764 -36.204 23.283 1.00 53.12 ATOM 1411 O SER 90 -5.694 -36.197 22.474 1.00 35.02 ATOM 1412 N LEU 91 -3.556 -35.730 22.990 1.00 75.44 ATOM 1413 HN LEU 91 -2.843 -35.811 23.657 1.00 37.22 ATOM 1414 CA LEU 91 -3.260 -35.087 21.701 1.00 33.22 ATOM 1415 HA LEU 91 -4.097 -34.448 21.456 1.00 63.25 ATOM 1416 CB LEU 91 -2.007 -34.213 21.840 1.00 34.11 ATOM 1417 HB1 LEU 91 -1.719 -33.869 20.856 1.00 37.22 ATOM 1418 HB2 LEU 91 -1.208 -34.826 22.237 1.00 45.52 ATOM 1419 CG LEU 91 -2.176 -32.985 22.750 1.00 55.41 ATOM 1420 HG LEU 91 -2.608 -33.298 23.690 1.00 42.21 ATOM 1421 CD1 LEU 91 -0.828 -32.339 23.049 1.00 71.12 ATOM 1422 HD11 LEU 91 -0.366 -32.020 22.125 1.00 32.31 ATOM 1423 HD12 LEU 91 -0.187 -33.054 23.543 1.00 11.30 ATOM 1424 HD13 LEU 91 -0.971 -31.483 23.693 1.00 30.01 ATOM 1425 CD2 LEU 91 -3.125 -31.976 22.106 1.00 23.55 ATOM 1426 HD21 LEU 91 -3.207 -31.102 22.735 1.00 4.32 ATOM 1427 HD22 LEU 91 -4.100 -32.423 21.983 1.00 64.32 ATOM 1428 HD23 LEU 91 -2.738 -31.686 21.137 1.00 2.11 ATOM 1429 C LEU 91 -3.077 -36.105 20.561 1.00 61.11 ATOM 1430 O LEU 91 -3.386 -35.809 19.406 1.00 74.42 ATOM 1431 N ARG 92 -2.564 -37.293 20.893 1.00 34.11 ATOM 1432 HN ARG 92 -2.307 -37.448 21.825 1.00 37.22 ATOM 1433 CA ARG 92 -2.358 -38.373 19.911 1.00 61.11 ATOM 1434 HA ARG 92 -2.008 -39.238 20.458 1.00 73.31 ATOM 1435 CB ARG 92 -3.685 -38.738 19.218 1.00 30.01 ATOM 1436 HB1 ARG 92 -3.484 -39.453 18.431 1.00 37.22 ATOM 1437 HB2 ARG 92 -4.102 -37.844 18.776 1.00 12.20 ATOM 1438 CG ARG 92 -4.732 -39.339 20.151 1.00 14.01 ATOM 1439 HG1 ARG 92 -5.647 -39.499 19.595 1.00 37.22 ATOM 1440 HG2 ARG 92 -4.920 -38.647 20.959 1.00 42.40 ATOM 1441 CD ARG 92 -4.274 -40.666 20.739 1.00 32.40 ATOM 1442 HD1 ARG 92 -3.421 -40.486 21.378 1.00 37.22 ATOM 1443 HD2 ARG 92 -3.984 -41.324 19.932 1.00 10.10 ATOM 1444 NE ARG 92 -5.322 -41.309 21.522 1.00 63.42 ATOM 1445 HE ARG 92 -6.109 -40.773 21.753 1.00 1.30 ATOM 1446 CZ ARG 92 -5.280 -42.554 21.910 1.00 3.13 ATOM 1447 NH1 ARG 92 -4.250 -43.292 21.652 1.00 0.22 ATOM 1448 HH11 ARG 92 -3.474 -42.912 21.156 1.00 1.43 ATOM 1449 HH12 ARG 92 -4.239 -44.246 21.944 1.00 62.22 ATOM 1450 NH2 ARG 92 -6.267 -43.062 22.568 1.00 1.30 ATOM 1451 HH21 ARG 92 -7.063 -42.502 22.783 1.00 63.20 ATOM 1452 HH22 ARG 92 -6.232 -44.018 22.850 1.00 64.54 ATOM 1453 C ARG 92 -1.296 -38.014 18.852 1.00 12.12 ATOM 1454 O ARG 92 -1.216 -38.655 17.801 1.00 52.43 ATOM 1455 N LEU 93 -0.463 -37.017 19.144 1.00 30.24 ATOM 1456 HN LEU 93 -0.538 -36.572 20.013 1.00 37.22 ATOM 1457 CA LEU 93 0.573 -36.576 18.199 1.00 4.05 ATOM 1458 HA LEU 93 0.138 -36.613 17.208 1.00 43.42 ATOM 1459 CB LEU 93 0.982 -35.117 18.495 1.00 54.13 ATOM 1460 HB1 LEU 93 0.111 -34.494 18.342 1.00 37.22 ATOM 1461 HB2 LEU 93 1.732 -34.826 17.773 1.00 5.01 ATOM 1462 CG LEU 93 1.536 -34.825 19.908 1.00 31.44 ATOM 1463 HG LEU 93 1.019 -35.449 20.622 1.00 13.42 ATOM 1464 CD1 LEU 93 3.026 -35.146 20.006 1.00 5.23 ATOM 1465 HD11 LEU 93 3.188 -36.187 19.768 1.00 25.13 ATOM 1466 HD12 LEU 93 3.370 -34.950 21.011 1.00 21.52 ATOM 1467 HD13 LEU 93 3.575 -34.527 19.311 1.00 74.23 ATOM 1468 CD2 LEU 93 1.284 -33.369 20.295 1.00 22.44 ATOM 1469 HD21 LEU 93 1.787 -32.715 19.597 1.00 43.43 ATOM 1470 HD22 LEU 93 1.663 -33.189 21.293 1.00 24.23 ATOM 1471 HD23 LEU 93 0.222 -33.168 20.275 1.00 4.34 ATOM 1472 C LEU 93 1.790 -37.520 18.217 1.00 62.51 ATOM 1473 O LEU 93 1.937 -38.344 19.124 1.00 31.10 ATOM 1474 N GLU 94 2.663 -37.398 17.215 1.00 2.42 ATOM 1475 HN GLU 94 2.532 -36.687 16.552 1.00 37.22 ATOM 1476 CA GLU 94 3.835 -38.280 17.105 1.00 65.15 ATOM 1477 HA GLU 94 3.506 -39.269 17.402 1.00 12.32 ATOM 1478 CB GLU 94 4.356 -38.367 15.649 1.00 54.52 ATOM 1479 HB1 GLU 94 4.118 -39.347 15.258 1.00 37.22 ATOM 1480 HB2 GLU 94 5.431 -38.256 15.658 1.00 21.30 ATOM 1481 CG GLU 94 3.786 -37.324 14.685 1.00 3.41 ATOM 1482 HG1 GLU 94 2.708 -37.328 14.771 1.00 37.22 ATOM 1483 HG2 GLU 94 4.060 -37.602 13.678 1.00 60.44 ATOM 1484 CD GLU 94 4.289 -35.915 14.949 1.00 11.45 ATOM 1485 OE1 GLU 94 5.371 -35.558 14.431 1.00 51.23 ATOM 1486 OE2 GLU 94 3.601 -35.159 15.659 1.00 73.32 ATOM 1487 C GLU 94 4.952 -37.851 18.071 1.00 34.34 ATOM 1488 O GLU 94 5.448 -36.722 18.024 1.00 11.22 ATOM 1489 N THR 95 5.342 -38.774 18.942 1.00 43.15 ATOM 1490 HN THR 95 4.996 -39.688 18.845 1.00 37.22 ATOM 1491 CA THR 95 6.274 -38.486 20.037 1.00 41.34 ATOM 1492 HA THR 95 6.196 -37.434 20.280 1.00 43.35 ATOM 1493 CB THR 95 5.891 -39.300 21.297 1.00 14.15 ATOM 1494 HB THR 95 6.619 -39.103 22.073 1.00 30.13 ATOM 1495 OG1 THR 95 5.901 -40.706 20.997 1.00 50.34 ATOM 1496 HG1 THR 95 5.151 -41.135 21.432 1.00 52.24 ATOM 1497 CG2 THR 95 4.510 -38.899 21.812 1.00 71.11 ATOM 1498 HG21 THR 95 3.768 -39.102 21.052 1.00 43.34 ATOM 1499 HG22 THR 95 4.503 -37.844 22.049 1.00 64.23 ATOM 1500 HG23 THR 95 4.278 -39.468 22.701 1.00 14.50 ATOM 1501 C THR 95 7.733 -38.804 19.676 1.00 54.42 ATOM 1502 O THR 95 8.037 -39.254 18.570 1.00 1.12 ATOM 1503 N PHE 96 8.628 -38.553 20.629 1.00 15.33 ATOM 1504 HN PHE 96 8.323 -38.134 21.461 1.00 37.22 ATOM 1505 CA PHE 96 10.053 -38.881 20.492 1.00 52.51 ATOM 1506 HA PHE 96 10.177 -39.467 19.590 1.00 21.54 ATOM 1507 CB PHE 96 10.891 -37.596 20.375 1.00 0.11 ATOM 1508 HB1 PHE 96 10.638 -37.097 19.451 1.00 37.22 ATOM 1509 HB2 PHE 96 11.940 -37.858 20.354 1.00 42.43 ATOM 1510 CG PHE 96 10.681 -36.614 21.506 1.00 34.14 ATOM 1511 CD1 PHE 96 9.722 -35.613 21.406 1.00 52.24 ATOM 1512 HD1 PHE 96 9.121 -35.541 20.511 1.00 11.05 ATOM 1513 CD2 PHE 96 11.444 -36.686 22.666 1.00 32.42 ATOM 1514 HD2 PHE 96 12.192 -37.460 22.760 1.00 63.24 ATOM 1515 CE1 PHE 96 9.530 -34.709 22.435 1.00 72.41 ATOM 1516 HE1 PHE 96 8.781 -33.936 22.344 1.00 2.01 ATOM 1517 CE2 PHE 96 11.253 -35.785 23.696 1.00 21.11 ATOM 1518 HE2 PHE 96 11.854 -35.854 24.592 1.00 2.13 ATOM 1519 CZ PHE 96 10.297 -34.795 23.581 1.00 71.32 ATOM 1520 HZ PHE 96 10.147 -34.090 24.386 1.00 1.02 ATOM 1521 C PHE 96 10.519 -39.723 21.690 1.00 31.01 ATOM 1522 O PHE 96 9.730 -40.027 22.584 1.00 23.34 ATOM 1523 N ASP 97 11.791 -40.105 21.713 1.00 41.40 ATOM 1524 HN ASP 97 12.394 -39.830 20.986 1.00 37.22 ATOM 1525 CA ASP 97 12.323 -40.905 22.817 1.00 62.35 ATOM 1526 HA ASP 97 11.493 -41.415 23.287 1.00 14.23 ATOM 1527 CB ASP 97 13.315 -41.948 22.293 1.00 73.23 ATOM 1528 HB1 ASP 97 13.617 -42.589 23.110 1.00 37.22 ATOM 1529 HB2 ASP 97 14.187 -41.443 21.901 1.00 42.34 ATOM 1530 CG ASP 97 12.721 -42.811 21.196 1.00 74.13 ATOM 1531 OD1 ASP 97 12.951 -42.517 20.004 1.00 72.55 ATOM 1532 OD2 ASP 97 12.027 -43.798 21.518 1.00 55.22 ATOM 1533 C ASP 97 13.009 -40.010 23.860 1.00 43.33 ATOM 1534 O ASP 97 13.856 -39.186 23.524 1.00 45.44 ATOM 1535 N ALA 98 12.655 -40.192 25.131 1.00 42.11 ATOM 1536 HN ALA 98 11.966 -40.857 25.338 1.00 37.22 ATOM 1537 CA ALA 98 13.254 -39.412 26.226 1.00 61.20 ATOM 1538 HA ALA 98 12.883 -38.399 26.148 1.00 61.24 ATOM 1539 CB ALA 98 12.801 -39.975 27.572 1.00 71.34 ATOM 1540 HB1 ALA 98 13.215 -39.380 28.373 1.00 24.44 ATOM 1541 HB2 ALA 98 13.140 -40.996 27.671 1.00 72.03 ATOM 1542 HB3 ALA 98 11.723 -39.950 27.627 1.00 50.23 ATOM 1543 C ALA 98 14.794 -39.384 26.149 1.00 32.12 ATOM 1544 O ALA 98 15.437 -38.435 26.601 1.00 43.33 ATOM 1545 N ASN 99 15.374 -40.424 25.553 1.00 21.33 ATOM 1546 HN ASN 99 14.807 -41.122 25.164 1.00 37.22 ATOM 1547 CA ASN 99 16.830 -40.560 25.461 1.00 54.51 ATOM 1548 HA ASN 99 17.237 -40.319 26.433 1.00 4.42 ATOM 1549 CB ASN 99 17.194 -42.009 25.130 1.00 4.43 ATOM 1550 HB1 ASN 99 18.265 -42.091 25.007 1.00 37.22 ATOM 1551 HB2 ASN 99 16.707 -42.297 24.210 1.00 12.15 ATOM 1552 CG ASN 99 16.757 -42.961 26.226 1.00 31.14 ATOM 1553 OD1 ASN 99 15.649 -43.483 26.210 1.00 14.21 ATOM 1554 ND2 ASN 99 17.617 -43.185 27.198 1.00 73.05 ATOM 1555 HD21 ASN 99 18.484 -42.729 27.166 1.00 3.22 ATOM 1556 HD22 ASN 99 17.355 -43.800 27.913 1.00 50.35 ATOM 1557 C ASN 99 17.461 -39.608 24.430 1.00 52.13 ATOM 1558 O ASN 99 18.500 -39.005 24.704 1.00 21.12 ATOM 1559 N ASP 100 16.849 -39.456 23.251 1.00 1.24 ATOM 1560 HN ASP 100 15.978 -39.884 23.093 1.00 37.22 ATOM 1561 CA ASP 100 17.453 -38.625 22.200 1.00 44.30 ATOM 1562 HA ASP 100 18.478 -38.960 22.094 1.00 75.34 ATOM 1563 CB ASP 100 16.748 -38.816 20.845 1.00 41.33 ATOM 1564 HB1 ASP 100 16.966 -39.811 20.478 1.00 37.22 ATOM 1565 HB2 ASP 100 17.139 -38.095 20.142 1.00 54.41 ATOM 1566 CG ASP 100 15.239 -38.646 20.903 1.00 23.42 ATOM 1567 OD1 ASP 100 14.522 -39.636 20.646 1.00 1.44 ATOM 1568 OD2 ASP 100 14.770 -37.531 21.188 1.00 21.40 ATOM 1569 C ASP 100 17.493 -37.142 22.601 1.00 71.14 ATOM 1570 O ASP 100 18.462 -36.439 22.306 1.00 41.22 ATOM 1571 N LEU 101 16.457 -36.676 23.292 1.00 60.42 ATOM 1572 HN LEU 101 15.682 -37.263 23.447 1.00 37.22 ATOM 1573 CA LEU 101 16.428 -35.298 23.798 1.00 12.32 ATOM 1574 HA LEU 101 16.737 -34.646 22.992 1.00 52.50 ATOM 1575 CB LEU 101 15.006 -34.910 24.230 1.00 11.23 ATOM 1576 HB1 LEU 101 14.663 -35.631 24.960 1.00 37.22 ATOM 1577 HB2 LEU 101 14.361 -34.969 23.364 1.00 3.43 ATOM 1578 CG LEU 101 14.870 -33.503 24.845 1.00 52.13 ATOM 1579 HG LEU 101 15.490 -33.446 25.728 1.00 0.42 ATOM 1580 CD1 LEU 101 15.351 -32.427 23.872 1.00 43.14 ATOM 1581 HD11 LEU 101 14.760 -32.463 22.968 1.00 33.43 ATOM 1582 HD12 LEU 101 16.391 -32.600 23.629 1.00 51.10 ATOM 1583 HD13 LEU 101 15.249 -31.454 24.331 1.00 71.33 ATOM 1584 CD2 LEU 101 13.428 -33.242 25.269 1.00 32.24 ATOM 1585 HD21 LEU 101 13.345 -32.241 25.667 1.00 3.41 ATOM 1586 HD22 LEU 101 13.142 -33.953 26.030 1.00 61.14 ATOM 1587 HD23 LEU 101 12.773 -33.346 24.415 1.00 54.11 ATOM 1588 C LEU 101 17.395 -35.112 24.979 1.00 21.33 ATOM 1589 O LEU 101 18.233 -34.208 24.971 1.00 1.44 ATOM 1590 N TYR 102 17.288 -35.982 25.985 1.00 51.00 ATOM 1591 HN TYR 102 16.633 -36.711 25.917 1.00 37.22 ATOM 1592 CA TYR 102 18.111 -35.873 27.196 1.00 73.01 ATOM 1593 HA TYR 102 17.935 -34.892 27.618 1.00 11.41 ATOM 1594 CB TYR 102 17.688 -36.930 28.226 1.00 25.33 ATOM 1595 HB1 TYR 102 17.855 -37.914 27.810 1.00 37.22 ATOM 1596 HB2 TYR 102 16.634 -36.813 28.439 1.00 44.34 ATOM 1597 CG TYR 102 18.439 -36.842 29.543 1.00 62.40 ATOM 1598 CD1 TYR 102 18.230 -35.778 30.412 1.00 13.30 ATOM 1599 HD1 TYR 102 17.523 -35.006 30.140 1.00 23.13 ATOM 1600 CD2 TYR 102 19.355 -37.821 29.916 1.00 64.35 ATOM 1601 HD2 TYR 102 19.533 -38.656 29.255 1.00 40.01 ATOM 1602 CE1 TYR 102 18.910 -35.689 31.610 1.00 14.03 ATOM 1603 HE1 TYR 102 18.731 -34.852 32.271 1.00 70.33 ATOM 1604 CE2 TYR 102 20.037 -37.737 31.115 1.00 25.33 ATOM 1605 HE2 TYR 102 20.743 -38.507 31.389 1.00 44.44 ATOM 1606 CZ TYR 102 19.811 -36.671 31.957 1.00 11.23 ATOM 1607 OH TYR 102 20.493 -36.584 33.149 1.00 21.53 ATOM 1608 HH TYR 102 21.434 -36.724 32.986 1.00 40.14 ATOM 1609 C TYR 102 19.615 -36.006 26.888 1.00 41.44 ATOM 1610 O TYR 102 20.445 -35.344 27.513 1.00 40.33 ATOM 1611 N GLN 103 19.967 -36.867 25.931 1.00 24.33 ATOM 1612 HN GLN 103 19.269 -37.385 25.474 1.00 37.22 ATOM 1613 CA GLN 103 21.375 -37.060 25.552 1.00 22.21 ATOM 1614 HA GLN 103 21.979 -36.854 26.426 1.00 4.44 ATOM 1615 CB GLN 103 21.627 -38.515 25.118 1.00 43.03 ATOM 1616 HB1 GLN 103 22.670 -38.622 24.855 1.00 37.22 ATOM 1617 HB2 GLN 103 21.026 -38.725 24.244 1.00 50.33 ATOM 1618 CG GLN 103 21.294 -39.561 26.184 1.00 5.22 ATOM 1619 HG1 GLN 103 21.586 -40.535 25.816 1.00 37.22 ATOM 1620 HG2 GLN 103 20.228 -39.552 26.353 1.00 45.51 ATOM 1621 CD GLN 103 21.992 -39.320 27.515 1.00 62.43 ATOM 1622 OE1 GLN 103 23.056 -38.716 27.581 1.00 0.40 ATOM 1623 NE2 GLN 103 21.405 -39.811 28.588 1.00 21.14 ATOM 1624 HE21 GLN 103 20.562 -40.297 28.472 1.00 32.24 ATOM 1625 HE22 GLN 103 21.844 -39.685 29.455 1.00 52.31 ATOM 1626 C GLN 103 21.806 -36.099 24.428 1.00 45.11 ATOM 1627 O GLN 103 22.994 -35.986 24.121 1.00 32.33 ATOM 1628 N GLY 104 20.839 -35.413 23.817 1.00 45.12 ATOM 1629 HN GLY 104 19.910 -35.532 24.109 1.00 37.22 ATOM 1630 CA GLY 104 21.139 -34.475 22.736 1.00 4.31 ATOM 1631 HA1 GLY 104 21.954 -33.835 23.045 1.00 37.22 ATOM 1632 HA2 GLY 104 20.267 -33.862 22.560 1.00 74.34 ATOM 1633 C GLY 104 21.521 -35.160 21.425 1.00 53.13 ATOM 1634 O GLY 104 22.354 -34.655 20.671 1.00 24.15 ATOM 1635 N GLN 105 20.907 -36.309 21.149 1.00 61.13 ATOM 1636 HN GLN 105 20.236 -36.648 21.778 1.00 37.22 ATOM 1637 CA GLN 105 21.199 -37.076 19.931 1.00 72.41 ATOM 1638 HA GLN 105 22.244 -36.930 19.694 1.00 23.54 ATOM 1639 CB GLN 105 20.953 -38.578 20.170 1.00 53.24 ATOM 1640 HB1 GLN 105 21.202 -39.118 19.266 1.00 37.22 ATOM 1641 HB2 GLN 105 19.904 -38.725 20.384 1.00 11.24 ATOM 1642 CG GLN 105 21.760 -39.182 21.322 1.00 2.42 ATOM 1643 HG1 GLN 105 21.438 -40.205 21.467 1.00 37.22 ATOM 1644 HG2 GLN 105 21.555 -38.617 22.221 1.00 41.45 ATOM 1645 CD GLN 105 23.265 -39.177 21.085 1.00 13.42 ATOM 1646 OE1 GLN 105 23.809 -38.296 20.428 1.00 15.32 ATOM 1647 NE2 GLN 105 23.953 -40.164 21.621 1.00 31.22 ATOM 1648 HE21 GLN 105 23.470 -40.839 22.137 1.00 52.22 ATOM 1649 HE22 GLN 105 24.922 -40.180 21.476 1.00 4.30 ATOM 1650 C GLN 105 20.355 -36.590 18.737 1.00 45.12 ATOM 1651 O GLN 105 20.857 -35.900 17.845 1.00 13.13 ATOM 1652 N ASN 106 19.068 -36.943 18.735 1.00 41.24 ATOM 1653 HN ASN 106 18.710 -37.441 19.497 1.00 37.22 ATOM 1654 CA ASN 106 18.167 -36.596 17.628 1.00 63.05 ATOM 1655 HA ASN 106 18.769 -36.171 16.834 1.00 75.42 ATOM 1656 CB ASN 106 17.473 -37.856 17.092 1.00 44.21 ATOM 1657 HB1 ASN 106 16.798 -37.581 16.294 1.00 37.22 ATOM 1658 HB2 ASN 106 16.911 -38.317 17.890 1.00 2.32 ATOM 1659 CG ASN 106 18.464 -38.872 16.553 1.00 62.33 ATOM 1660 OD1 ASN 106 19.527 -38.518 16.059 1.00 34.51 ATOM 1661 ND2 ASN 106 18.122 -40.140 16.633 1.00 61.13 ATOM 1662 HD21 ASN 106 17.256 -40.364 17.028 1.00 73.23 ATOM 1663 HD22 ASN 106 18.756 -40.807 16.299 1.00 1.23 ATOM 1664 C ASN 106 17.124 -35.552 18.054 1.00 33.42 ATOM 1665 O ASN 106 15.983 -35.886 18.374 1.00 30.51 ATOM 1666 N PHE 107 17.530 -34.286 18.061 1.00 3.10 ATOM 1667 HN PHE 107 18.459 -34.083 17.810 1.00 37.22 ATOM 1668 CA PHE 107 16.635 -33.186 18.433 1.00 14.04 ATOM 1669 HA PHE 107 16.096 -33.487 19.321 1.00 25.13 ATOM 1670 CB PHE 107 17.448 -31.921 18.751 1.00 73.24 ATOM 1671 HB1 PHE 107 17.928 -31.573 17.846 1.00 37.22 ATOM 1672 HB2 PHE 107 18.208 -32.166 19.479 1.00 54.53 ATOM 1673 CG PHE 107 16.618 -30.788 19.307 1.00 62.33 ATOM 1674 CD1 PHE 107 16.265 -30.763 20.649 1.00 73.13 ATOM 1675 HD1 PHE 107 16.593 -31.562 21.298 1.00 44.21 ATOM 1676 CD2 PHE 107 16.187 -29.750 18.490 1.00 21.22 ATOM 1677 HD2 PHE 107 16.454 -29.754 17.442 1.00 10.33 ATOM 1678 CE1 PHE 107 15.502 -29.731 21.163 1.00 23.20 ATOM 1679 HE1 PHE 107 15.235 -29.725 22.210 1.00 11.03 ATOM 1680 CE2 PHE 107 15.425 -28.716 19.000 1.00 23.33 ATOM 1681 HE2 PHE 107 15.097 -27.916 18.353 1.00 33.41 ATOM 1682 CZ PHE 107 15.082 -28.708 20.338 1.00 61.01 ATOM 1683 HZ PHE 107 14.485 -27.900 20.737 1.00 22.02 ATOM 1684 C PHE 107 15.614 -32.904 17.318 1.00 63.54 ATOM 1685 O PHE 107 14.563 -32.316 17.562 1.00 0.04 ATOM 1686 N ASN 108 15.938 -33.321 16.095 1.00 72.23 ATOM 1687 HN ASN 108 16.804 -33.763 15.962 1.00 37.22 ATOM 1688 CA ASN 108 15.045 -33.135 14.942 1.00 71.00 ATOM 1689 HA ASN 108 14.973 -32.069 14.770 1.00 61.31 ATOM 1690 CB ASN 108 15.652 -33.785 13.685 1.00 23.13 ATOM 1691 HB1 ASN 108 16.463 -33.163 13.329 1.00 37.22 ATOM 1692 HB2 ASN 108 14.895 -33.843 12.917 1.00 45.34 ATOM 1693 CG ASN 108 16.191 -35.188 13.926 1.00 11.42 ATOM 1694 OD1 ASN 108 15.704 -35.925 14.775 1.00 14.14 ATOM 1695 ND2 ASN 108 17.215 -35.564 13.188 1.00 22.22 ATOM 1696 HD21 ASN 108 17.575 -34.928 12.532 1.00 12.32 ATOM 1697 HD22 ASN 108 17.574 -36.462 13.325 1.00 62.35 ATOM 1698 C ASN 108 13.618 -33.669 15.209 1.00 32.13 ATOM 1699 O ASN 108 12.630 -32.998 14.900 1.00 1.32 ATOM 1700 N LYS 109 13.516 -34.866 15.793 1.00 51.10 ATOM 1701 HN LYS 109 14.332 -35.381 15.968 1.00 37.22 ATOM 1702 CA LYS 109 12.212 -35.435 16.168 1.00 10.23 ATOM 1703 HA LYS 109 11.591 -35.459 15.283 1.00 64.03 ATOM 1704 CB LYS 109 12.373 -36.864 16.709 1.00 4.12 ATOM 1705 HB1 LYS 109 11.396 -37.244 16.976 1.00 37.22 ATOM 1706 HB2 LYS 109 12.986 -36.828 17.600 1.00 54.24 ATOM 1707 CG LYS 109 13.015 -37.848 15.731 1.00 10.12 ATOM 1708 HG1 LYS 109 14.022 -37.519 15.516 1.00 37.22 ATOM 1709 HG2 LYS 109 12.437 -37.864 14.817 1.00 1.45 ATOM 1710 CD LYS 109 13.067 -39.265 16.306 1.00 51.22 ATOM 1711 HD1 LYS 109 13.611 -39.900 15.621 1.00 37.22 ATOM 1712 HD2 LYS 109 12.058 -39.639 16.419 1.00 63.44 ATOM 1713 CE LYS 109 13.758 -39.296 17.663 1.00 61.23 ATOM 1714 HE1 LYS 109 13.193 -38.688 18.355 1.00 37.22 ATOM 1715 HE2 LYS 109 14.752 -38.889 17.557 1.00 0.12 ATOM 1716 NZ LYS 109 13.863 -40.675 18.211 1.00 54.23 ATOM 1717 HZ1 LYS 109 12.929 -41.130 18.233 1.00 12.45 ATOM 1718 HZ2 LYS 109 14.239 -40.646 19.182 1.00 65.24 ATOM 1719 HZ3 LYS 109 14.501 -41.249 17.622 1.00 71.53 ATOM 1720 C LYS 109 11.525 -34.569 17.234 1.00 11.42 ATOM 1721 O LYS 109 10.333 -34.275 17.142 1.00 43.53 ATOM 1722 N VAL 110 12.294 -34.171 18.246 1.00 72.53 ATOM 1723 HN VAL 110 13.234 -34.448 18.262 1.00 37.22 ATOM 1724 CA VAL 110 11.784 -33.333 19.335 1.00 31.50 ATOM 1725 HA VAL 110 11.006 -33.886 19.846 1.00 60.22 ATOM 1726 CB VAL 110 12.902 -33.004 20.357 1.00 61.01 ATOM 1727 HB VAL 110 13.641 -32.391 19.858 1.00 53.41 ATOM 1728 CG1 VAL 110 12.349 -32.206 21.537 1.00 25.15 ATOM 1729 HG11 VAL 110 13.150 -31.980 22.227 1.00 31.21 ATOM 1730 HG12 VAL 110 11.593 -32.787 22.045 1.00 72.04 ATOM 1731 HG13 VAL 110 11.914 -31.284 21.179 1.00 73.41 ATOM 1732 CG2 VAL 110 13.592 -34.280 20.835 1.00 70.23 ATOM 1733 HG21 VAL 110 14.385 -34.026 21.524 1.00 25.10 ATOM 1734 HG22 VAL 110 14.010 -34.806 19.988 1.00 3.04 ATOM 1735 HG23 VAL 110 12.874 -34.916 21.333 1.00 74.22 ATOM 1736 C VAL 110 11.196 -32.019 18.800 1.00 31.13 ATOM 1737 O VAL 110 10.051 -31.677 19.087 1.00 53.21 ATOM 1738 N LEU 111 11.990 -31.299 18.008 1.00 25.20 ATOM 1739 HN LEU 111 12.885 -31.641 17.802 1.00 37.22 ATOM 1740 CA LEU 111 11.569 -30.017 17.436 1.00 30.52 ATOM 1741 HA LEU 111 11.351 -29.347 18.256 1.00 5.34 ATOM 1742 CB LEU 111 12.708 -29.419 16.594 1.00 34.34 ATOM 1743 HB1 LEU 111 12.865 -30.056 15.734 1.00 37.22 ATOM 1744 HB2 LEU 111 13.609 -29.427 17.191 1.00 63.53 ATOM 1745 CG LEU 111 12.477 -27.984 16.091 1.00 34.45 ATOM 1746 HG LEU 111 11.581 -27.960 15.489 1.00 71.14 ATOM 1747 CD1 LEU 111 12.275 -27.024 17.261 1.00 42.13 ATOM 1748 HD11 LEU 111 13.169 -26.999 17.870 1.00 73.45 ATOM 1749 HD12 LEU 111 11.442 -27.358 17.861 1.00 61.41 ATOM 1750 HD13 LEU 111 12.069 -26.032 16.884 1.00 71.22 ATOM 1751 CD2 LEU 111 13.643 -27.528 15.216 1.00 44.54 ATOM 1752 HD21 LEU 111 13.450 -26.531 14.847 1.00 24.44 ATOM 1753 HD22 LEU 111 13.753 -28.204 14.380 1.00 23.52 ATOM 1754 HD23 LEU 111 14.554 -27.526 15.797 1.00 1.12 ATOM 1755 C LEU 111 10.301 -30.180 16.580 1.00 25.42 ATOM 1756 O LEU 111 9.374 -29.374 16.667 1.00 61.13 ATOM 1757 N SER 112 10.268 -31.232 15.763 1.00 34.30 ATOM 1758 HN SER 112 11.056 -31.817 15.707 1.00 37.22 ATOM 1759 CA SER 112 9.090 -31.539 14.937 1.00 35.11 ATOM 1760 HA SER 112 8.898 -30.683 14.305 1.00 63.30 ATOM 1761 CB SER 112 9.363 -32.761 14.047 1.00 61.23 ATOM 1762 HB1 SER 112 8.486 -32.977 13.453 1.00 37.22 ATOM 1763 HB2 SER 112 9.595 -33.614 14.670 1.00 31.51 ATOM 1764 OG SER 112 10.458 -32.525 13.174 1.00 51.32 ATOM 1765 HG SER 112 11.215 -33.056 13.458 1.00 73.30 ATOM 1766 C SER 112 7.852 -31.792 15.810 1.00 23.44 ATOM 1767 O SER 112 6.768 -31.274 15.535 1.00 3.24 ATOM 1768 N SER 113 8.028 -32.580 16.871 1.00 2.23 ATOM 1769 HN SER 113 8.911 -32.982 17.023 1.00 37.22 ATOM 1770 CA SER 113 6.939 -32.873 17.815 1.00 62.41 ATOM 1771 HA SER 113 6.113 -33.279 17.248 1.00 53.15 ATOM 1772 CB SER 113 7.390 -33.916 18.849 1.00 33.41 ATOM 1773 HB1 SER 113 8.182 -33.500 19.455 1.00 37.22 ATOM 1774 HB2 SER 113 7.755 -34.793 18.336 1.00 42.45 ATOM 1775 OG SER 113 6.321 -34.303 19.700 1.00 43.04 ATOM 1776 HG SER 113 5.750 -34.925 19.233 1.00 63.42 ATOM 1777 C SER 113 6.464 -31.595 18.526 1.00 52.45 ATOM 1778 O SER 113 5.273 -31.418 18.772 1.00 15.23 ATOM 1779 N LEU 114 7.403 -30.698 18.840 1.00 73.13 ATOM 1780 HN LEU 114 8.343 -30.914 18.666 1.00 37.22 ATOM 1781 CA LEU 114 7.069 -29.399 19.442 1.00 51.32 ATOM 1782 HA LEU 114 6.490 -29.590 20.337 1.00 51.13 ATOM 1783 CB LEU 114 8.345 -28.636 19.828 1.00 41.53 ATOM 1784 HB1 LEU 114 8.060 -27.651 20.172 1.00 37.22 ATOM 1785 HB2 LEU 114 8.951 -28.525 18.939 1.00 55.41 ATOM 1786 CG LEU 114 9.206 -29.294 20.919 1.00 40.11 ATOM 1787 HG LEU 114 9.495 -30.281 20.588 1.00 1.14 ATOM 1788 CD1 LEU 114 10.485 -28.491 21.156 1.00 34.03 ATOM 1789 HD11 LEU 114 10.233 -27.506 21.525 1.00 54.20 ATOM 1790 HD12 LEU 114 11.029 -28.397 20.227 1.00 50.11 ATOM 1791 HD13 LEU 114 11.101 -29.001 21.881 1.00 1.34 ATOM 1792 CD2 LEU 114 8.413 -29.446 22.216 1.00 11.11 ATOM 1793 HD21 LEU 114 7.559 -30.086 22.044 1.00 14.23 ATOM 1794 HD22 LEU 114 8.072 -28.476 22.550 1.00 43.41 ATOM 1795 HD23 LEU 114 9.043 -29.886 22.975 1.00 51.30 ATOM 1796 C LEU 114 6.226 -28.545 18.482 1.00 20.13 ATOM 1797 O LEU 114 5.253 -27.906 18.890 1.00 75.23 ATOM 1798 N VAL 115 6.609 -28.532 17.204 1.00 2.34 ATOM 1799 HN VAL 115 7.434 -29.002 16.949 1.00 37.22 ATOM 1800 CA VAL 115 5.832 -27.835 16.173 1.00 51.01 ATOM 1801 HA VAL 115 5.773 -26.792 16.457 1.00 21.22 ATOM 1802 CB VAL 115 6.517 -27.924 14.782 1.00 61.13 ATOM 1803 HB VAL 115 6.657 -28.969 14.539 1.00 11.21 ATOM 1804 CG1 VAL 115 5.639 -27.298 13.697 1.00 4.44 ATOM 1805 HG11 VAL 115 6.145 -27.356 12.744 1.00 73.34 ATOM 1806 HG12 VAL 115 5.446 -26.262 13.940 1.00 14.23 ATOM 1807 HG13 VAL 115 4.701 -27.833 13.637 1.00 23.03 ATOM 1808 CG2 VAL 115 7.893 -27.253 14.811 1.00 31.04 ATOM 1809 HG21 VAL 115 8.514 -27.732 15.555 1.00 54.31 ATOM 1810 HG22 VAL 115 7.782 -26.207 15.056 1.00 62.11 ATOM 1811 HG23 VAL 115 8.361 -27.344 13.840 1.00 62.40 ATOM 1812 C VAL 115 4.405 -28.405 16.087 1.00 74.13 ATOM 1813 O VAL 115 3.426 -27.656 16.025 1.00 43.42 ATOM 1814 N THR 116 4.297 -29.735 16.097 1.00 54.22 ATOM 1815 HN THR 116 5.114 -30.279 16.069 1.00 37.22 ATOM 1816 CA THR 116 2.990 -30.407 16.132 1.00 44.52 ATOM 1817 HA THR 116 2.428 -30.086 15.265 1.00 62.44 ATOM 1818 CB THR 116 3.120 -31.948 16.084 1.00 52.42 ATOM 1819 HB THR 116 3.699 -32.272 16.940 1.00 45.33 ATOM 1820 OG1 THR 116 3.797 -32.360 14.886 1.00 13.44 ATOM 1821 HG1 THR 116 4.072 -33.285 14.982 1.00 10.43 ATOM 1822 CG2 THR 116 1.743 -32.612 16.150 1.00 13.23 ATOM 1823 HG21 THR 116 1.858 -33.686 16.122 1.00 1.44 ATOM 1824 HG22 THR 116 1.148 -32.292 15.308 1.00 61.55 ATOM 1825 HG23 THR 116 1.246 -32.328 17.071 1.00 50.22 ATOM 1826 C THR 116 2.209 -30.034 17.396 1.00 40.12 ATOM 1827 O THR 116 1.008 -29.782 17.339 1.00 14.10 ATOM 1828 N LEU 117 2.904 -30.005 18.534 1.00 32.41 ATOM 1829 HN LEU 117 3.855 -30.247 18.511 1.00 37.22 ATOM 1830 CA LEU 117 2.300 -29.638 19.821 1.00 54.21 ATOM 1831 HA LEU 117 1.597 -30.416 20.088 1.00 24.20 ATOM 1832 CB LEU 117 3.389 -29.560 20.899 1.00 62.44 ATOM 1833 HB1 LEU 117 4.094 -28.794 20.609 1.00 37.22 ATOM 1834 HB2 LEU 117 3.907 -30.509 20.923 1.00 5.10 ATOM 1835 CG LEU 117 2.898 -29.246 22.321 1.00 55.01 ATOM 1836 HG LEU 117 2.336 -28.322 22.303 1.00 72.14 ATOM 1837 CD1 LEU 117 1.969 -30.343 22.829 1.00 22.33 ATOM 1838 HD11 LEU 117 2.494 -31.287 22.836 1.00 52.34 ATOM 1839 HD12 LEU 117 1.108 -30.415 22.182 1.00 62.30 ATOM 1840 HD13 LEU 117 1.644 -30.104 23.832 1.00 54.21 ATOM 1841 CD2 LEU 117 4.079 -29.058 23.266 1.00 12.14 ATOM 1842 HD21 LEU 117 4.649 -29.974 23.324 1.00 54.33 ATOM 1843 HD22 LEU 117 3.717 -28.796 24.250 1.00 31.54 ATOM 1844 HD23 LEU 117 4.711 -28.264 22.896 1.00 2.03 ATOM 1845 C LEU 117 1.551 -28.296 19.725 1.00 12.04 ATOM 1846 O LEU 117 0.483 -28.115 20.315 1.00 42.02 ATOM 1847 N ASN 118 2.121 -27.358 18.970 1.00 62.01 ATOM 1848 HN ASN 118 3.008 -27.533 18.589 1.00 37.22 ATOM 1849 CA ASN 118 1.469 -26.072 18.705 1.00 61.33 ATOM 1850 HA ASN 118 1.072 -25.707 19.642 1.00 22.04 ATOM 1851 CB ASN 118 2.492 -25.056 18.171 1.00 12.21 ATOM 1852 HB1 ASN 118 2.932 -25.443 17.262 1.00 37.22 ATOM 1853 HB2 ASN 118 3.269 -24.915 18.908 1.00 42.23 ATOM 1854 CG ASN 118 1.865 -23.704 17.866 1.00 42.13 ATOM 1855 OD1 ASN 118 1.433 -23.446 16.750 1.00 32.22 ATOM 1856 ND2 ASN 118 1.813 -22.828 18.851 1.00 72.33 ATOM 1857 HD21 ASN 118 2.177 -23.083 19.721 1.00 2.43 ATOM 1858 HD22 ASN 118 1.390 -21.961 18.671 1.00 31.11 ATOM 1859 C ASN 118 0.305 -26.237 17.707 1.00 12.22 ATOM 1860 O ASN 118 -0.760 -25.658 17.889 1.00 41.13 ATOM 1861 N LYS 119 0.513 -27.042 16.662 1.00 43.21 ATOM 1862 HN LYS 119 1.382 -27.487 16.575 1.00 37.22 ATOM 1863 CA LYS 119 -0.519 -27.279 15.635 1.00 62.21 ATOM 1864 HA LYS 119 -0.765 -26.324 15.191 1.00 20.12 ATOM 1865 CB LYS 119 0.029 -28.207 14.535 1.00 23.31 ATOM 1866 HB1 LYS 119 -0.776 -28.456 13.857 1.00 37.22 ATOM 1867 HB2 LYS 119 0.389 -29.117 14.996 1.00 34.31 ATOM 1868 CG LYS 119 1.169 -27.602 13.717 1.00 3.53 ATOM 1869 HG1 LYS 119 1.931 -27.241 14.393 1.00 37.22 ATOM 1870 HG2 LYS 119 0.784 -26.775 13.138 1.00 12.53 ATOM 1871 CD LYS 119 1.794 -28.624 12.765 1.00 51.33 ATOM 1872 HD1 LYS 119 2.199 -29.440 13.350 1.00 37.22 ATOM 1873 HD2 LYS 119 2.593 -28.147 12.218 1.00 41.52 ATOM 1874 CE LYS 119 0.786 -29.186 11.767 1.00 11.42 ATOM 1875 HE1 LYS 119 -0.036 -29.629 12.312 1.00 37.22 ATOM 1876 HE2 LYS 119 1.273 -29.947 11.176 1.00 34.51 ATOM 1877 NZ LYS 119 0.253 -28.142 10.854 1.00 43.13 ATOM 1878 HZ1 LYS 119 1.024 -27.723 10.297 1.00 4.31 ATOM 1879 HZ2 LYS 119 -0.212 -27.390 11.398 1.00 23.04 ATOM 1880 HZ3 LYS 119 -0.441 -28.558 10.201 1.00 53.51 ATOM 1881 C LYS 119 -1.806 -27.889 16.231 1.00 64.04 ATOM 1882 O LYS 119 -2.908 -27.370 16.027 1.00 21.24 ATOM 1883 N VAL 120 -1.653 -28.988 16.966 1.00 10.13 ATOM 1884 HN VAL 120 -0.748 -29.325 17.126 1.00 37.22 ATOM 1885 CA VAL 120 -2.792 -29.717 17.545 1.00 1.55 ATOM 1886 HA VAL 120 -3.442 -30.007 16.730 1.00 1.23 ATOM 1887 CB VAL 120 -2.323 -31.010 18.265 1.00 41.50 ATOM 1888 HB VAL 120 -3.188 -31.478 18.717 1.00 23.54 ATOM 1889 CG1 VAL 120 -1.718 -31.999 17.272 1.00 65.44 ATOM 1890 HG11 VAL 120 -0.858 -31.551 16.792 1.00 51.21 ATOM 1891 HG12 VAL 120 -2.453 -32.256 16.522 1.00 10.43 ATOM 1892 HG13 VAL 120 -1.410 -32.895 17.795 1.00 10.42 ATOM 1893 CG2 VAL 120 -1.323 -30.685 19.376 1.00 25.00 ATOM 1894 HG21 VAL 120 -1.787 -30.030 20.100 1.00 4.11 ATOM 1895 HG22 VAL 120 -0.456 -30.196 18.954 1.00 11.35 ATOM 1896 HG23 VAL 120 -1.017 -31.599 19.865 1.00 0.44 ATOM 1897 C VAL 120 -3.605 -28.855 18.529 1.00 3.41 ATOM 1898 O VAL 120 -4.817 -29.035 18.676 1.00 74.12 ATOM 1899 N THR 121 -2.941 -27.922 19.201 1.00 61.43 ATOM 1900 HN THR 121 -1.976 -27.829 19.061 1.00 37.22 ATOM 1901 CA THR 121 -3.616 -27.026 20.148 1.00 22.51 ATOM 1902 HA THR 121 -4.458 -27.564 20.567 1.00 13.41 ATOM 1903 CB THR 121 -2.683 -26.624 21.311 1.00 25.22 ATOM 1904 HB THR 121 -3.187 -25.885 21.920 1.00 53.05 ATOM 1905 OG1 THR 121 -1.471 -26.053 20.795 1.00 73.05 ATOM 1906 HG1 THR 121 -0.741 -26.668 20.933 1.00 42.32 ATOM 1907 CG2 THR 121 -2.356 -27.832 22.185 1.00 10.34 ATOM 1908 HG21 THR 121 -3.273 -28.266 22.559 1.00 55.52 ATOM 1909 HG22 THR 121 -1.743 -27.519 23.018 1.00 43.31 ATOM 1910 HG23 THR 121 -1.821 -28.567 21.601 1.00 24.31 ATOM 1911 C THR 121 -4.145 -25.762 19.455 1.00 71.32 ATOM 1912 O THR 121 -5.187 -25.225 19.837 1.00 41.24 ATOM 1913 N ALA 122 -3.434 -25.298 18.428 1.00 5.23 ATOM 1914 HN ALA 122 -2.577 -25.721 18.216 1.00 37.22 ATOM 1915 CA ALA 122 -3.887 -24.159 17.618 1.00 10.53 ATOM 1916 HA ALA 122 -3.996 -23.307 18.276 1.00 32.44 ATOM 1917 CB ALA 122 -2.845 -23.810 16.559 1.00 20.15 ATOM 1918 HB1 ALA 122 -3.165 -22.935 16.008 1.00 12.33 ATOM 1919 HB2 ALA 122 -2.729 -24.641 15.878 1.00 1.21 ATOM 1920 HB3 ALA 122 -1.900 -23.605 17.040 1.00 42.51 ATOM 1921 C ALA 122 -5.243 -24.454 16.958 1.00 74.14 ATOM 1922 O ALA 122 -6.015 -23.538 16.661 1.00 13.32 ATOM 1923 N ASP 123 -5.515 -25.743 16.736 1.00 1.42 ATOM 1924 HN ASP 123 -4.817 -26.409 16.919 1.00 37.22 ATOM 1925 CA ASP 123 -6.809 -26.205 16.216 1.00 62.33 ATOM 1926 HA ASP 123 -6.949 -25.772 15.235 1.00 53.22 ATOM 1927 CB ASP 123 -6.784 -27.735 16.091 1.00 33.04 ATOM 1928 HB1 ASP 123 -6.640 -28.164 17.073 1.00 37.22 ATOM 1929 HB2 ASP 123 -5.955 -28.022 15.460 1.00 0.43 ATOM 1930 CG ASP 123 -8.060 -28.310 15.497 1.00 13.53 ATOM 1931 OD1 ASP 123 -9.024 -28.542 16.253 1.00 15.30 ATOM 1932 OD2 ASP 123 -8.096 -28.551 14.272 1.00 50.45 ATOM 1933 C ASP 123 -7.966 -25.761 17.135 1.00 65.43 ATOM 1934 O ASP 123 -9.050 -25.408 16.666 1.00 3.03 ATOM 1935 N ILE 124 -7.714 -25.772 18.446 1.00 45.14 ATOM 1936 HN ILE 124 -6.827 -26.055 18.753 1.00 37.22 ATOM 1937 CA ILE 124 -8.718 -25.375 19.442 1.00 42.55 ATOM 1938 HA ILE 124 -9.641 -25.888 19.206 1.00 22.31 ATOM 1939 CB ILE 124 -8.277 -25.799 20.871 1.00 1.43 ATOM 1940 HB ILE 124 -7.360 -25.276 21.109 1.00 1.12 ATOM 1941 CG1 ILE 124 -8.010 -27.315 20.919 1.00 51.52 ATOM 1942 HG11 ILE 124 -7.269 -27.566 20.175 1.00 37.22 ATOM 1943 HG12 ILE 124 -8.926 -27.844 20.699 1.00 24.31 ATOM 1944 CG2 ILE 124 -9.328 -25.403 21.911 1.00 14.35 ATOM 1945 HG21 ILE 124 -8.997 -25.706 22.894 1.00 63.14 ATOM 1946 HG22 ILE 124 -10.266 -25.890 21.682 1.00 3.14 ATOM 1947 HG23 ILE 124 -9.467 -24.331 21.894 1.00 0.15 ATOM 1948 CD1 ILE 124 -7.506 -27.810 22.260 1.00 21.21 ATOM 1949 HD11 ILE 124 -8.263 -27.647 23.014 1.00 41.31 ATOM 1950 HD12 ILE 124 -6.608 -27.271 22.527 1.00 14.41 ATOM 1951 HD13 ILE 124 -7.286 -28.866 22.193 1.00 4.02 ATOM 1952 C ILE 124 -8.976 -23.857 19.415 1.00 51.31 ATOM 1953 O ILE 124 -10.084 -23.395 19.702 1.00 23.45 ATOM 1954 N GLY 125 -7.948 -23.089 19.056 1.00 12.42 ATOM 1955 HN GLY 125 -7.096 -23.513 18.822 1.00 37.22 ATOM 1956 CA GLY 125 -8.079 -21.635 18.988 1.00 32.31 ATOM 1957 HA1 GLY 125 -9.130 -21.375 18.987 1.00 37.22 ATOM 1958 HA2 GLY 125 -7.641 -21.293 18.063 1.00 23.43 ATOM 1959 C GLY 125 -7.398 -20.914 20.148 1.00 44.01 ATOM 1960 O GLY 125 -8.058 -20.461 21.086 1.00 74.11 ATOM 1961 N LEU 126 -6.070 -20.805 20.088 1.00 35.23 ATOM 1962 HN LEU 126 -5.597 -21.195 19.323 1.00 37.22 ATOM 1963 HA LEU 126 -5.926 -20.011 22.004 1.00 53.14 ATOM 1964 CB LEU 126 -4.063 -20.956 21.518 1.00 44.20 ATOM 1965 HB1 LEU 126 -3.521 -20.428 22.292 1.00 37.22 ATOM 1966 HB2 LEU 126 -3.422 -21.035 20.651 1.00 2.53 ATOM 1967 CG LEU 126 -4.359 -22.376 22.027 1.00 62.12 ATOM 1968 HG LEU 126 -4.873 -22.928 21.251 1.00 52.32 ATOM 1969 CD1 LEU 126 -3.059 -23.113 22.340 1.00 40.34 ATOM 1970 HD11 LEU 126 -2.444 -23.153 21.452 1.00 71.24 ATOM 1971 HD12 LEU 126 -3.281 -24.118 22.666 1.00 23.13 ATOM 1972 HD13 LEU 126 -2.526 -22.591 23.122 1.00 72.21 ATOM 1973 CD2 LEU 126 -5.268 -22.335 23.256 1.00 5.13 ATOM 1974 HD21 LEU 126 -6.207 -21.865 22.995 1.00 43.32 ATOM 1975 HD22 LEU 126 -4.790 -21.769 24.042 1.00 43.40 ATOM 1976 HD23 LEU 126 -5.456 -23.342 23.600 1.00 44.11 ATOM 1977 CA LEU 126 -5.292 -20.118 21.132 1.00 34.05 ATOM 1978 C LEU 126 -4.851 -18.712 20.669 1.00 2.02 ATOM 1979 OT1 LEU 126 -3.821 -18.603 19.964 1.00 37.22 ATOM 1980 OT2 LEU 126 -5.534 -17.720 21.018 1.00 37.22 ATOM 1981 OH2 TIP3 1 -5.265 -44.287 17.425 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -6.182 -44.014 17.187 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -5.389 -45.131 17.912 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.374 -41.004 16.680 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.391 -41.297 15.748 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.216 -41.813 17.180 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.042 -37.039 20.296 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -6.667 -36.736 21.149 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.011 -36.253 19.730 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -7.847 -39.632 21.107 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -7.572 -38.814 20.644 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.364 -39.301 21.879 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -7.948 -47.528 22.262 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -7.848 -46.989 23.074 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -7.981 -46.863 21.537 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -2.764 -49.286 22.550 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -2.515 -48.880 23.391 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -3.707 -49.067 22.446 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.841 -41.133 17.060 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.296 -40.329 16.895 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -9.581 -41.045 16.450 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -8.968 -41.776 19.737 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -8.612 -40.989 20.207 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -8.893 -41.538 18.787 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.985 -38.138 13.540 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.381 -38.402 14.380 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -6.226 -38.746 13.430 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.782 -38.660 16.109 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -4.222 -39.387 16.463 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.787 -38.816 15.140 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -1.514 -43.107 21.459 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -1.144 -43.689 22.138 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -1.451 -42.210 21.849 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -3.171 -44.291 15.792 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -3.134 -45.231 15.588 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -3.956 -44.209 16.398 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.724 -45.996 24.613 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -8.576 -46.271 25.026 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -7.567 -45.097 24.966 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.465 -38.818 16.581 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -6.487 -38.845 16.487 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.634 -37.995 17.058 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -0.502 -40.176 12.849 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -1.280 -39.620 12.626 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 0.245 -39.735 12.396 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -8.923 -38.267 23.161 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -8.598 -38.498 24.046 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -9.040 -37.291 23.194 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.131 -35.506 12.692 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -7.063 -36.477 12.822 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -7.579 -35.192 13.507 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -4.539 -44.754 25.178 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -4.679 -45.636 24.778 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -3.561 -44.613 25.113 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -5.330 -47.380 24.488 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.407 -47.782 23.598 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -6.207 -46.963 24.639 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -10.618 -47.234 22.970 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -9.867 -47.660 22.517 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -10.344 -47.204 23.904 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -5.654 -46.796 18.422 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.340 -47.292 17.967 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -5.059 -47.484 18.785 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.446 -45.720 21.927 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -6.160 -45.590 21.262 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.172 -46.644 21.803 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -7.860 -43.732 16.876 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -8.572 -44.160 17.393 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -8.127 -42.796 16.836 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.227 -43.409 21.913 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -9.212 -42.765 21.167 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.161 -42.845 22.715 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -4.726 -39.728 13.565 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -4.414 -40.644 13.713 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -4.013 -39.317 13.031 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -9.240 -35.535 23.214 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -8.649 -34.794 23.454 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -9.988 -35.108 22.773 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -2.855 -37.676 9.606 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -3.380 -38.051 8.892 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -3.045 -36.706 9.559 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.326 -42.081 14.142 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -3.373 -42.972 14.554 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -2.502 -42.098 13.636 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -7.856 -45.399 20.612 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -8.251 -45.298 19.724 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -8.286 -44.692 21.143 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.024 -48.497 25.338 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.866 -48.033 25.109 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -3.276 -49.429 25.395 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.363 -48.500 21.927 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.344 -48.490 21.876 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.075 -48.700 21.007 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -11.128 -45.252 21.035 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -10.600 -44.572 21.494 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -11.090 -46.024 21.630 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -12.600 -46.625 24.880 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -13.537 -46.440 24.764 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -12.287 -46.854 23.984 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -9.726 -44.367 18.799 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -9.643 -43.460 19.146 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -10.423 -44.774 19.359 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -10.043 -46.896 25.723 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -10.033 -47.360 26.569 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -10.995 -46.676 25.582 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -0.052 -41.379 15.261 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -0.140 -41.097 14.320 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -0.219 -40.568 15.764 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.081 -43.145 17.148 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -0.648 -42.655 16.415 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -1.767 -43.684 16.700 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -4.166 -48.838 19.453 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -3.956 -49.699 19.076 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -3.278 -48.447 19.666 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -0.626 -45.414 27.732 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -1.283 -46.094 27.977 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 0.160 -45.930 27.467 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -1.723 -48.100 20.324 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -1.063 -47.462 20.671 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -1.909 -48.683 21.089 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -0.136 -46.652 22.058 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 0.664 -46.087 22.037 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -0.234 -46.895 23.000 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -8.468 -31.582 25.715 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -8.447 -30.603 25.797 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -9.076 -31.868 26.428 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -7.574 -33.385 23.880 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.838 -33.869 24.312 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -7.846 -32.712 24.553 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -3.018 -35.905 13.017 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -2.169 -35.611 12.605 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -3.706 -35.404 12.527 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -4.221 -39.595 36.970 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -4.909 -39.996 37.552 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.367 -39.839 37.407 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -5.963 -36.471 33.582 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -6.454 -35.649 33.797 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.171 -37.076 34.332 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -3.384 -36.947 34.672 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -2.663 -36.459 34.229 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -4.200 -36.634 34.225 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -3.138 -39.692 34.444 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -3.703 -39.868 35.224 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -3.161 -38.716 34.356 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -0.937 -43.269 39.376 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -1.122 -43.648 38.489 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -0.671 -42.339 39.190 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -1.844 -44.533 37.060 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -1.956 -45.450 37.415 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -2.745 -44.229 36.904 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.056 -37.816 38.708 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.979 -37.594 38.875 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.576 -36.968 38.842 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -5.962 -36.513 30.792 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -5.809 -36.575 31.763 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.910 -36.356 30.716 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 1.429 -41.543 43.898 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 1.529 -42.519 43.821 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 0.705 -41.331 43.269 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -11.260 -35.060 28.156 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -11.531 -34.651 29.015 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -11.387 -36.003 28.293 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -4.456 -38.003 29.018 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.840 -38.907 29.046 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -5.054 -37.471 29.586 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -2.187 -38.383 30.485 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -2.081 -37.495 30.839 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -2.924 -38.297 29.839 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -6.888 -43.500 25.701 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -5.987 -43.834 25.480 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -6.825 -43.251 26.632 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -1.070 -38.198 43.882 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.948 -38.308 43.469 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -0.617 -37.552 43.304 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -3.108 -42.936 40.986 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -2.295 -43.108 40.455 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -3.496 -43.812 41.114 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -4.689 -34.569 41.274 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.168 -34.883 40.480 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.837 -35.052 41.244 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -0.155 -47.462 34.422 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -0.165 -46.483 34.520 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -0.783 -47.635 33.709 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -0.346 -40.818 41.943 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.304 -40.867 42.067 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -0.226 -40.896 40.970 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -2.483 -40.694 31.961 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.321 -39.878 31.432 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.833 -40.357 32.817 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -6.264 -37.958 35.898 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -6.738 -37.871 36.742 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -5.535 -38.572 36.100 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -5.880 -40.304 38.943 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -6.390 -39.469 38.994 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -5.312 -40.288 39.733 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -7.491 -39.528 25.209 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -7.152 -39.502 26.110 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.687 -39.469 24.649 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.305 -35.858 40.791 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -1.505 -36.213 41.243 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -2.378 -36.389 39.987 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -5.319 -40.611 29.279 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.851 -40.888 30.030 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.517 -41.175 29.334 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.898 -32.678 27.841 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -10.313 -33.566 27.793 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -9.348 -32.716 28.634 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.363 -41.889 24.007 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -7.971 -42.437 24.719 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.336 -40.977 24.366 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -3.600 -40.322 40.532 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -3.563 -41.279 40.768 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -3.051 -40.258 39.718 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -4.331 -45.331 27.883 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -4.136 -44.527 28.380 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -4.424 -45.026 26.959 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -4.592 -42.282 45.478 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.981 -41.532 45.286 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -5.020 -42.033 46.299 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -0.805 -42.519 33.315 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.355 -41.979 32.713 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -0.872 -42.056 34.176 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.199 -41.173 35.708 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -1.458 -41.021 36.643 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.817 -40.610 35.197 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -3.181 -42.293 29.850 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.961 -41.790 30.667 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -2.391 -42.810 29.673 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.601 -47.443 27.874 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.322 -46.775 27.952 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.701 -47.799 26.969 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -3.571 -38.630 42.682 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -4.176 -37.898 42.509 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.626 -39.186 41.870 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -3.866 -32.007 41.672 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.261 -32.902 41.554 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.555 -31.503 42.111 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.716 -35.403 38.877 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.882 -34.530 38.456 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -4.977 -35.788 38.350 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -3.825 -36.758 37.444 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -3.662 -36.602 36.493 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -3.936 -37.720 37.508 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -5.339 -34.047 29.558 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -4.456 -33.703 29.831 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -5.373 -34.944 29.936 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -2.981 -40.194 44.869 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -3.328 -39.679 44.112 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -2.149 -39.753 45.093 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 2.073 -20.252 10.055 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 1.420 -20.895 9.707 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 2.107 -20.444 11.014 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -1.978 -29.297 9.491 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -2.818 -28.806 9.340 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -2.269 -30.127 9.942 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -9.792 -29.985 7.169 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -9.533 -29.862 8.110 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -10.584 -30.527 7.212 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -8.455 -27.864 6.105 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -8.939 -27.584 5.320 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -8.893 -28.710 6.370 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 0.278 -22.227 9.280 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 0.028 -22.854 9.976 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 0.154 -22.732 8.452 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.032 -22.693 8.992 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.385 -23.515 9.392 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -7.780 -22.069 9.031 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -9.218 -26.868 8.579 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -8.892 -27.095 7.685 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -9.250 -27.730 9.048 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -7.152 -27.596 11.984 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -7.582 -27.978 12.789 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.498 -26.971 12.342 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -6.452 -29.683 10.427 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -6.722 -28.952 11.033 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -5.671 -29.322 9.957 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -5.752 -28.028 6.797 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -6.705 -27.856 6.656 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -5.444 -28.353 5.947 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -2.963 -24.354 12.928 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -3.791 -24.867 13.022 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -3.124 -23.778 12.166 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -1.868 -24.405 9.469 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.724 -23.966 9.296 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -1.400 -24.361 8.613 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 0.650 -29.249 8.188 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -0.295 -29.472 8.256 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 1.113 -30.037 8.565 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -16.383 -24.393 15.356 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -15.820 -24.518 14.570 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -15.896 -24.864 16.079 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.566 -32.921 14.845 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.343 -32.513 14.397 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.697 -32.708 15.794 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -3.547 -34.283 15.171 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -3.362 -34.937 14.464 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -3.959 -34.813 15.882 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.629 -28.044 16.106 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -10.663 -28.288 16.086 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.640 -27.108 15.821 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -12.135 -23.493 21.429 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -11.825 -23.092 22.260 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -11.329 -23.561 20.884 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -14.029 -24.307 19.708 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -13.896 -25.279 19.767 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -13.421 -23.945 20.394 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -13.475 -32.196 21.200 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -13.599 -32.068 20.232 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -12.735 -32.826 21.263 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -9.898 -29.306 12.406 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -9.312 -29.002 13.143 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -9.995 -30.260 12.562 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -13.025 -29.008 13.936 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -12.535 -28.826 14.764 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -13.312 -28.125 13.635 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -11.878 -29.047 18.617 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -10.973 -29.435 18.675 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.906 -28.647 17.717 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.877 -21.868 23.314 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -11.546 -21.291 22.886 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -10.091 -21.292 23.397 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -12.404 -20.148 21.832 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -12.371 -19.224 21.522 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -12.271 -20.673 21.016 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -3.606 -35.091 9.351 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -4.036 -34.867 10.209 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -3.617 -34.265 8.862 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -15.462 -24.758 12.711 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -16.434 -24.914 12.733 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -15.306 -24.363 11.846 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -1.052 -22.474 13.522 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.285 -22.052 12.666 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -1.694 -23.203 13.608 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -7.938 -19.225 13.268 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -8.569 -19.133 12.520 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -8.492 -19.105 14.063 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -5.316 -25.726 12.756 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -5.217 -25.699 11.773 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -5.784 -24.881 12.975 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -5.275 -17.974 14.978 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -5.640 -17.657 14.143 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -5.027 -17.150 15.464 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -12.028 -31.073 25.181 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -12.245 -31.952 24.814 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.487 -30.653 24.482 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -4.471 -28.133 9.235 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -4.886 -28.095 8.344 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -4.605 -27.233 9.599 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -9.017 -32.232 12.711 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -8.823 -33.061 12.254 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -9.644 -32.490 13.423 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -13.370 -26.989 19.808 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -13.461 -27.421 20.673 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -12.770 -27.577 19.313 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -13.197 -31.537 18.569 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -12.476 -32.001 18.099 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -13.031 -30.597 18.383 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -6.886 -27.452 27.981 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.779 -28.051 28.745 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -5.978 -27.363 27.612 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.755 -32.449 17.594 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.304 -31.598 17.796 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -10.319 -33.093 18.190 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -13.301 -26.287 13.518 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -14.060 -25.722 13.260 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -12.886 -25.809 14.263 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -6.038 -32.958 20.333 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -6.286 -33.302 21.201 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -6.112 -33.728 19.737 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -12.432 -31.581 13.358 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -12.628 -30.650 13.625 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -13.013 -31.735 12.610 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -10.695 -30.010 22.983 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -11.397 -29.788 22.334 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -10.558 -29.169 23.478 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -14.119 -31.362 26.969 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -14.091 -32.339 26.899 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -13.578 -31.055 26.219 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -5.515 -31.772 11.931 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -5.914 -31.110 11.322 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -5.907 -31.560 12.800 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -7.049 -31.152 14.214 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -7.302 -30.202 14.288 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -7.769 -31.546 13.667 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -14.859 -25.398 17.337 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -14.368 -26.191 17.585 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -14.711 -24.785 18.086 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.410 -25.756 25.618 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -8.855 -26.520 25.404 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -9.304 -25.649 26.589 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -1.181 -32.615 14.003 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -1.581 -31.730 13.877 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -1.901 -33.149 14.380 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -5.105 -21.421 15.184 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -4.337 -20.942 15.553 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -5.364 -22.042 15.888 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -9.217 -19.646 23.325 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -9.824 -18.912 23.086 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -8.753 -19.858 22.484 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -16.060 -21.994 16.714 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -16.740 -21.459 16.299 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -16.150 -22.871 16.286 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -3.858 -27.912 13.625 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -4.415 -27.189 13.277 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -3.655 -27.637 14.539 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -1.801 -21.551 11.076 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -1.204 -21.412 10.322 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.624 -21.086 10.820 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -11.714 -22.763 9.017 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -11.470 -23.669 9.325 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -12.561 -22.883 8.584 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.198 -25.452 15.176 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -10.464 -25.346 15.824 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -10.755 -25.440 14.317 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -9.183 -32.212 21.968 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -8.530 -32.494 22.643 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -9.533 -31.359 22.314 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -6.715 -30.942 18.625 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -6.430 -31.562 19.337 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -6.066 -30.209 18.674 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -6.242 -23.248 13.268 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -6.132 -22.415 12.775 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -6.230 -22.973 14.198 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.394 -30.196 18.296 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.252 -29.581 17.525 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -8.489 -30.471 18.548 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.977 -27.743 24.471 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.627 -26.856 24.666 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -11.205 -28.105 25.350 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -8.409 -34.666 14.975 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.279 -34.223 14.922 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -7.896 -34.108 15.587 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -18.142 -24.939 13.269 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -19.062 -25.177 13.409 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -17.803 -24.741 14.166 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.472 -21.461 9.803 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -9.364 -22.065 10.546 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.288 -21.785 9.349 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -5.170 -25.541 10.080 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -4.789 -24.757 9.632 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.142 -25.426 9.978 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.077 -25.246 9.820 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -11.095 -25.709 10.684 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.510 -25.813 9.259 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.235 -23.063 25.763 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.619 -22.726 24.925 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -9.953 -23.975 25.546 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -7.870 -25.076 10.117 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -8.349 -25.647 9.474 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -8.139 -25.422 10.982 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.940 -26.673 12.186 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -10.652 -27.607 12.253 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.810 -26.657 12.635 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -12.733 -29.497 21.210 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -13.159 -30.373 21.295 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -12.484 -29.442 20.267 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -9.124 -29.377 9.765 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -8.182 -29.615 9.908 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -9.492 -29.309 10.677 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -8.886 -25.639 28.306 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -8.015 -26.070 28.176 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.302 -26.163 29.027 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -2.591 -30.301 13.632 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -3.247 -30.786 14.193 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -2.995 -29.410 13.515 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -11.259 -33.910 21.611 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -10.589 -33.203 21.769 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -10.964 -34.329 20.782 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -12.854 -33.406 23.858 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -13.540 -32.960 23.334 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -12.261 -33.798 23.188 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -8.505 -28.830 26.230 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -9.423 -28.784 26.573 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -7.972 -28.356 26.899 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.270 -33.918 26.580 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.498 -34.350 26.988 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.089 -33.955 25.621 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.132 -28.954 26.971 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.468 -28.891 27.893 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -11.554 -29.760 26.616 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -3.572 -18.366 26.080 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -3.787 -18.105 25.160 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -4.445 -18.503 26.496 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -4.394 -31.678 15.031 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -5.351 -31.586 14.878 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -4.254 -32.646 15.123 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -2.960 -31.249 11.066 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -2.654 -30.986 11.955 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -3.873 -31.564 11.216 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -4.669 -36.035 17.112 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -4.646 -36.960 16.779 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -4.087 -36.047 17.904 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -0.697 -35.332 11.773 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 0.021 -34.732 12.057 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -0.309 -35.838 11.039 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -2.995 -20.839 18.401 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.288 -20.078 18.942 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -2.992 -20.495 17.488 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -14.114 -18.952 19.312 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -15.014 -18.695 19.104 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -14.114 -19.929 19.212 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -12.027 -17.670 20.523 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -11.829 -16.829 20.043 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -12.803 -18.043 20.042 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -14.384 -21.693 18.834 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -14.434 -22.588 19.234 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.973 -21.751 18.047 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -11.740 -21.260 19.358 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -12.643 -21.528 19.079 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -11.246 -22.102 19.416 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.328 -33.812 19.557 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -9.019 -33.180 20.237 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -8.521 -34.276 19.275 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -6.785 -34.799 18.388 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -6.996 -34.103 17.725 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -6.064 -35.317 17.961 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -4.880 -34.407 11.647 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -5.058 -33.448 11.773 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -5.713 -34.844 11.947 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -7.158 -32.722 16.541 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.989 -32.060 17.247 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.184 -32.189 15.719 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -9.664 -19.071 11.147 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -10.111 -18.459 10.557 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -9.565 -19.890 10.613 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -3.216 -19.503 15.986 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -3.915 -19.036 15.477 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -2.841 -18.803 16.570 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.230 -28.544 34.838 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -7.341 -28.507 35.269 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.094 -28.096 33.968 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.445 -28.033 39.735 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.399 -28.117 39.667 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.113 -28.344 38.864 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -4.708 -20.775 33.111 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -4.329 -19.993 32.658 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -3.923 -21.297 33.378 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -9.314 -28.945 37.408 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -8.902 -29.812 37.637 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -9.139 -28.843 36.451 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -13.660 -31.642 34.992 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -13.110 -31.729 35.808 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -14.538 -31.425 35.321 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -4.437 -30.756 38.043 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -4.564 -30.063 38.732 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -3.477 -30.722 37.844 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -8.171 -27.116 32.525 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -8.699 -27.157 31.697 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -8.314 -26.203 32.851 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -1.551 -33.110 40.657 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -1.800 -34.046 40.753 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -2.319 -32.620 41.017 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -6.491 -17.708 33.521 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -6.958 -18.489 33.862 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -5.974 -17.392 34.284 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.552 -20.180 35.013 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -7.099 -20.987 35.037 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.852 -20.386 34.351 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -7.316 -29.164 30.266 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -7.093 -30.123 30.212 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.116 -28.927 31.185 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 2.832 -29.518 38.254 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 2.293 -30.081 37.647 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 2.166 -29.081 38.821 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -7.882 -22.761 34.881 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.298 -23.536 34.435 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -8.180 -22.829 35.794 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -3.468 -18.625 31.767 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -4.248 -18.239 31.315 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.895 -17.855 31.955 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -5.970 -17.749 30.827 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -6.536 -18.490 30.580 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -6.197 -17.578 31.773 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -6.376 -31.694 30.509 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -6.171 -32.543 30.061 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -5.668 -31.592 31.154 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.064 -31.166 38.303 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.736 -30.993 39.192 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -7.500 -31.896 37.979 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -12.208 -31.454 28.907 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -12.992 -31.408 28.311 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -11.485 -31.767 28.326 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -6.009 -32.949 37.583 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -5.894 -33.055 36.630 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -5.403 -32.206 37.818 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -11.842 -31.682 37.017 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -11.383 -31.311 37.777 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -11.125 -31.873 36.373 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -11.617 -29.861 34.352 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -10.913 -30.514 34.526 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -12.443 -30.367 34.479 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -7.244 -27.441 38.479 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -8.048 -27.869 38.121 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -7.568 -26.943 39.265 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -10.752 -27.178 34.468 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -9.826 -27.404 34.649 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -11.225 -28.025 34.577 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -8.394 -26.574 40.799 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -9.180 -27.096 40.517 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -8.647 -26.207 41.649 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -12.278 -28.212 32.232 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -11.926 -27.420 32.665 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -12.082 -28.932 32.862 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -9.904 -23.169 28.690 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -10.401 -23.090 27.858 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -9.462 -24.046 28.619 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -9.258 -24.815 33.643 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -10.025 -25.385 33.847 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -9.535 -24.313 32.836 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.076 -32.150 34.990 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -10.255 -32.963 34.496 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -9.149 -31.930 34.758 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.623 -31.179 34.228 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -6.877 -30.894 33.661 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -7.980 -30.338 34.582 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -1.676 -29.304 39.926 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -1.999 -30.059 40.436 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.785 -29.582 38.992 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -5.984 -28.703 36.349 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.461 -29.398 36.781 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.241 -28.109 37.082 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -8.872 -21.093 27.153 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -9.264 -21.696 26.486 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -9.015 -21.554 27.998 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -7.211 -21.820 32.321 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -6.286 -21.517 32.390 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -7.410 -22.180 33.205 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -9.470 -23.263 31.440 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -9.696 -23.153 30.494 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -8.709 -22.661 31.577 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -11.764 -28.889 29.657 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -12.010 -29.837 29.584 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -12.125 -28.614 30.531 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -9.497 -27.503 30.166 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -10.348 -27.965 29.994 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -8.818 -28.198 30.035 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -6.144 -16.416 28.307 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -6.097 -17.282 27.846 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -6.004 -16.642 29.248 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 0.483 -22.604 35.393 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 0.062 -21.732 35.514 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 1.393 -22.394 35.144 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -2.157 -21.833 33.649 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -1.700 -22.679 33.748 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -1.833 -21.481 32.788 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.701 -30.476 37.448 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -1.494 -30.206 36.517 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -0.896 -30.934 37.740 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.051 -28.625 39.578 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.685 -28.040 40.249 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -5.847 -28.151 39.251 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 0.100 -36.785 41.760 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 0.783 -37.482 41.882 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 0.499 -36.174 41.104 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 0.803 -32.547 39.453 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -0.053 -32.799 39.872 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 0.824 -33.057 38.634 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -5.210 -17.971 36.012 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -5.652 -18.815 35.764 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -5.353 -17.899 36.960 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 1.777 -38.918 42.097 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 2.443 -39.197 42.759 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 1.047 -39.564 42.200 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -7.003 -33.969 34.196 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -7.340 -33.056 34.161 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -6.036 -33.863 34.291 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.834 -33.502 33.026 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -13.094 -32.764 33.614 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -13.458 -34.202 33.238 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.831 -33.692 30.427 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -12.031 -32.809 30.047 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -12.137 -33.625 31.356 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -8.713 -18.732 25.857 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -8.843 -19.561 26.376 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -8.872 -19.007 24.927 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -0.276 -16.670 19.365 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 0.526 -16.270 19.750 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -0.830 -15.896 19.116 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -6.461 -12.477 21.121 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -6.790 -13.202 20.557 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -7.187 -11.843 21.137 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -6.965 -19.156 16.803 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -7.781 -19.284 16.291 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -6.302 -18.891 16.131 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 1.125 -14.875 21.027 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 0.465 -15.050 21.729 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 0.912 -13.969 20.714 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -4.545 -15.613 19.428 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -4.620 -16.495 19.857 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -5.349 -15.145 19.713 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -10.503 -19.270 17.994 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.951 -20.006 18.468 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.639 -18.504 18.567 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.228 -20.600 10.301 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.701 -20.626 11.170 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.741 -19.978 9.774 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -11.257 -15.448 19.197 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -10.689 -15.716 18.442 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -10.866 -14.606 19.503 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.942 -13.513 25.347 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -7.515 -13.191 24.638 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -7.539 -14.042 25.917 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -7.237 -14.981 20.124 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -7.322 -15.365 21.019 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -7.367 -15.749 19.522 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -6.944 -16.143 22.685 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -7.007 -16.620 23.530 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -6.514 -16.796 22.075 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -8.744 -14.004 22.906 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -9.428 -14.266 23.562 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -8.114 -14.749 22.907 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -9.447 -16.505 17.425 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -9.397 -17.059 16.635 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -8.685 -16.796 17.969 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -4.361 -17.476 23.609 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -3.924 -16.613 23.707 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -4.648 -17.497 22.677 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -9.572 -13.455 20.264 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -8.807 -13.955 19.935 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -9.459 -13.458 21.233 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -10.890 -17.461 23.016 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -11.278 -17.423 22.111 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -10.738 -16.533 23.250 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -10.278 -15.071 24.881 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -11.063 -15.394 25.346 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -9.569 -15.121 25.555 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.753 -14.884 26.387 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -5.153 -15.353 27.146 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -5.471 -14.300 26.062 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -6.204 -18.836 27.016 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -7.044 -18.677 26.531 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -6.240 -19.774 27.246 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -12.642 -19.068 24.441 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.975 -18.448 24.086 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -12.853 -19.643 23.684 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -12.627 -18.599 27.134 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -12.718 -18.759 26.166 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -12.952 -19.407 27.538 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -1.316 -10.720 24.776 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -2.008 -10.636 25.441 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -0.989 -11.649 24.885 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -4.894 -14.189 22.516 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -5.352 -13.407 22.124 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -5.617 -14.823 22.686 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -0.949 -11.313 22.058 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -1.172 -11.012 22.962 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -1.571 -12.054 21.893 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.120 -18.443 27.261 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -2.047 -18.319 26.937 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -0.799 -19.202 26.762 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.360 -13.620 21.546 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.292 -13.791 21.806 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.856 -14.340 21.977 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -7.317 -17.425 18.882 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -6.738 -17.693 19.626 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -7.134 -18.096 18.182 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -2.458 -17.660 17.823 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.563 -17.477 18.167 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -2.980 -17.906 18.624 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 1.397 -19.221 18.046 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 0.893 -19.128 17.205 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 0.786 -19.719 18.629 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -9.585 -18.832 15.518 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -10.433 -18.681 15.083 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -9.834 -19.084 16.444 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.367 -16.024 16.620 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.680 -15.607 17.439 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -3.555 -16.494 16.892 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -5.622 -20.566 12.645 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.434 -20.024 12.784 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -5.318 -20.775 13.558 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 0.011 -19.007 29.735 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 0.480 -18.204 30.031 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.356 -18.762 28.860 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -10.431 -16.973 27.130 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -9.872 -17.642 26.679 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -11.270 -17.450 27.318 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -8.315 -15.300 26.903 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -7.581 -15.588 27.486 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -9.074 -15.867 27.177 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -3.072 -15.058 24.327 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -3.520 -15.092 25.213 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -3.707 -14.563 23.761 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 0.976 -16.584 30.763 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 1.949 -16.473 30.815 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 0.744 -16.247 29.859 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 0.163 -16.181 28.235 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 0.540 -15.743 27.447 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.376 -16.909 27.866 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -2.395 -17.864 35.429 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -2.062 -16.967 35.272 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -3.355 -17.746 35.571 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 1.340 -17.537 33.679 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 0.611 -17.021 34.080 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 1.534 -17.070 32.852 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -1.410 -20.439 31.475 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -2.205 -19.870 31.581 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -0.921 -20.024 30.725 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 14.687 -34.177 6.338 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 15.394 -34.315 7.002 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 13.883 -34.524 6.773 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 4.292 -38.013 11.406 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 4.296 -37.030 11.399 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 5.123 -38.247 11.848 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 13.746 -38.982 10.640 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 13.123 -39.432 11.239 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 14.634 -39.205 11.007 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 14.786 -37.295 8.748 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 14.377 -37.934 9.373 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 15.744 -37.483 8.812 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 12.253 -44.905 18.743 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 12.381 -44.226 19.447 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 11.334 -45.221 18.881 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 9.455 -43.022 20.534 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 8.996 -43.573 21.204 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 10.396 -43.038 20.816 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 3.423 -42.525 21.267 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 3.799 -42.594 20.367 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 2.673 -41.903 21.162 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -0.827 -41.118 18.940 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -0.945 -41.904 18.368 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -1.050 -40.366 18.360 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 10.779 -45.612 23.156 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 11.149 -44.870 22.623 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 11.375 -46.364 22.958 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 5.909 -44.665 19.827 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 6.211 -43.798 19.486 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 6.702 -45.214 19.809 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 20.517 -49.152 24.674 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 20.972 -48.632 25.366 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 19.586 -48.862 24.732 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 9.931 -41.990 16.719 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 9.316 -41.247 16.519 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 9.486 -42.478 17.429 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 2.516 -41.682 16.382 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 1.703 -41.719 15.848 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 3.010 -42.487 16.130 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 16.421 -43.718 21.349 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 16.492 -42.778 21.145 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 17.345 -43.985 21.574 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 13.229 -42.376 14.264 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 13.241 -42.535 15.234 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 12.286 -42.482 14.020 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 3.766 -41.319 18.768 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 2.967 -41.055 19.259 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 3.445 -41.449 17.848 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 2.708 -44.644 18.591 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 3.032 -45.203 19.307 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 1.791 -44.422 18.855 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.533 -40.681 20.277 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 1.627 -39.772 19.914 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 0.663 -40.988 19.931 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 16.144 -39.695 11.781 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 17.097 -39.474 11.763 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 16.080 -40.419 12.433 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 13.245 -32.897 11.275 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 12.867 -33.641 11.791 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 12.556 -32.691 10.616 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 17.506 -46.115 27.883 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 17.770 -47.060 27.891 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 17.066 -46.000 27.030 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 14.669 -48.849 26.643 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 14.203 -48.699 27.483 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 13.961 -49.133 26.021 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 9.467 -46.042 25.535 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 10.184 -46.340 26.126 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 9.917 -45.862 24.682 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 10.483 -42.127 14.021 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 10.299 -42.090 14.986 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 9.651 -42.424 13.635 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 7.142 -42.249 19.267 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 6.673 -41.610 19.852 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 8.002 -42.395 19.716 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 8.124 -40.048 16.109 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 8.070 -39.656 17.012 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 7.330 -40.633 16.057 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 4.187 -43.888 16.485 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.658 -44.069 17.304 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 4.550 -44.745 16.248 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 9.044 -37.782 14.729 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 8.590 -37.113 15.296 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 8.765 -38.643 15.110 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -1.842 -44.765 25.317 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -1.395 -45.518 24.882 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -1.388 -44.689 26.182 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 8.032 -44.600 27.303 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 8.404 -45.008 28.106 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 8.406 -45.137 26.568 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 6.193 -41.899 16.669 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 5.433 -42.503 16.554 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 6.442 -42.007 17.611 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 11.035 -37.548 12.776 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 11.443 -38.436 12.836 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 10.305 -37.576 13.436 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 17.603 -37.372 9.462 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 18.529 -37.126 9.252 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 17.689 -38.014 10.188 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 12.131 -40.132 12.790 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 11.362 -40.693 13.005 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 12.876 -40.584 13.217 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 7.119 -36.039 10.646 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 6.260 -35.583 10.696 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 7.127 -36.613 11.442 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 6.842 -37.368 12.996 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 7.616 -37.577 13.551 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 6.313 -36.742 13.547 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 7.380 -36.216 16.198 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 6.762 -35.818 15.542 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 6.815 -36.389 16.975 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 9.653 -45.537 19.434 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 9.344 -46.024 20.209 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 9.542 -44.601 19.684 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 13.953 -46.263 25.961 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 14.214 -47.197 26.109 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 14.613 -45.936 25.312 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 14.324 -45.278 22.257 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 15.030 -44.738 21.836 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 13.490 -44.840 21.978 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 1.582 -38.585 11.823 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.625 -37.982 12.574 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 2.513 -38.635 11.505 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 9.506 -35.492 9.546 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 8.639 -35.824 9.892 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 10.130 -36.227 9.721 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 11.668 -37.174 10.104 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 11.372 -37.272 11.033 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 12.460 -37.744 10.049 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 7.027 -42.437 26.025 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 6.918 -42.742 25.118 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 7.414 -43.215 26.497 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 2.488 -45.576 35.825 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 2.612 -45.008 36.619 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 1.588 -45.350 35.510 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 8.252 -45.038 21.948 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 7.401 -44.935 22.424 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 8.880 -45.330 22.637 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 14.179 -44.598 28.106 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 13.904 -45.246 27.422 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 14.777 -43.994 27.622 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 5.549 -44.344 22.515 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 4.699 -43.906 22.647 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 5.594 -44.489 21.546 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.545 -46.561 27.286 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 12.098 -47.072 27.913 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 12.168 -46.319 26.570 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -1.697 -49.101 29.836 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -2.030 -48.497 29.136 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 -2.477 -49.575 30.131 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 12.614 -48.976 24.824 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 12.754 -48.501 23.978 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 11.668 -49.141 24.847 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 8.443 -32.912 9.900 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 8.595 -33.875 9.862 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 9.320 -32.528 9.764 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 15.683 -41.491 16.156 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 15.894 -41.572 15.204 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 15.898 -42.362 16.525 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 15.366 -42.961 18.778 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 14.479 -42.907 19.203 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 15.864 -43.566 19.350 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 15.762 -41.942 13.384 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 15.978 -42.698 12.826 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 14.813 -42.079 13.617 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 12.557 -42.730 16.933 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 12.622 -43.490 17.552 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 11.593 -42.553 16.873 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 1.795 -44.763 21.616 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 1.199 -44.522 20.877 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 2.447 -44.038 21.644 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 19.150 -45.673 24.427 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 20.096 -45.877 24.259 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 18.777 -46.523 24.755 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 12.759 -47.522 19.676 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 12.754 -48.017 18.854 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 12.725 -46.587 19.392 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 16.067 -46.017 24.251 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 16.938 -45.710 23.964 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 15.476 -45.806 23.495 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -0.628 -47.186 24.737 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 0.040 -47.311 25.447 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -1.385 -47.732 25.023 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 0.190 -43.996 19.483 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -0.471 -43.631 20.110 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.194 -43.809 18.602 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -2.636 -38.506 12.222 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -2.775 -38.311 11.270 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -2.749 -37.631 12.663 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 11.732 -34.906 12.396 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 10.940 -34.785 11.857 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 11.700 -35.848 12.657 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -0.080 -37.350 9.902 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -1.006 -37.663 9.838 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 0.354 -37.993 10.496 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 10.535 -42.450 39.320 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 10.681 -42.497 40.285 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 10.121 -43.308 39.100 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.714 -43.973 38.035 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.110 -43.275 37.675 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 3.419 -43.474 38.470 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 2.275 -48.751 34.262 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 2.462 -48.841 35.218 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 1.405 -48.298 34.233 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 0.031 -48.259 37.066 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 0.996 -48.362 37.197 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 -0.060 -48.075 36.110 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 6.137 -38.558 37.264 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 6.384 -38.880 36.359 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 5.842 -37.641 37.111 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 12.145 -42.814 35.537 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.566 -41.948 35.374 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 12.387 -43.024 36.465 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 2.785 -48.240 36.945 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 3.614 -48.526 37.382 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 2.911 -47.284 36.792 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 5.205 -49.033 38.134 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 5.712 -48.897 37.295 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 5.521 -49.884 38.461 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 6.578 -40.997 38.527 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 6.889 -41.445 37.724 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 6.327 -40.099 38.213 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 2.546 -40.874 40.215 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 1.686 -40.852 39.743 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 2.538 -40.067 40.757 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 16.284 -41.312 41.836 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 15.427 -41.660 41.495 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 16.020 -40.601 42.463 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 13.547 -47.562 28.915 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 14.178 -46.826 28.908 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 13.473 -47.806 29.860 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 18.270 -45.244 39.017 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 17.813 -44.390 39.201 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 17.691 -45.910 39.428 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 4.702 -47.257 40.141 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 4.980 -47.853 39.413 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 3.821 -47.562 40.373 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 1.425 -44.200 43.273 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 0.571 -44.428 43.710 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 1.289 -44.447 42.337 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 1.049 -42.090 37.084 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 0.765 -41.515 37.827 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 0.456 -41.841 36.352 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 3.722 -43.196 41.049 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 2.890 -43.716 41.056 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 3.440 -42.303 40.738 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 12.819 -43.921 30.404 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 13.263 -44.041 29.533 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 12.293 -44.738 30.517 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 6.537 -48.837 35.807 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 5.936 -48.515 35.095 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 7.388 -48.928 35.372 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 11.372 -46.039 31.406 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 11.957 -46.825 31.407 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 11.396 -45.728 32.330 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 11.873 -45.803 36.364 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 11.930 -45.699 35.402 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 12.798 -45.887 36.649 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 0.962 -48.717 29.218 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 1.504 -48.818 30.033 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 0.054 -48.948 29.507 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 2.413 -48.913 31.518 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 2.276 -48.978 32.486 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.359 -49.036 31.406 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 8.557 -44.696 40.513 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 7.584 -44.706 40.366 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 8.933 -44.967 39.654 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 4.865 -47.842 33.900 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 3.957 -48.205 33.954 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 4.733 -46.912 33.635 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 6.025 -43.942 35.426 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 6.543 -43.136 35.663 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 5.716 -44.280 36.273 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 6.963 -45.332 30.923 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 7.434 -45.178 31.748 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 7.654 -45.614 30.301 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -3.453 -43.860 43.585 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -3.988 -43.436 44.294 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -3.384 -43.177 42.900 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 10.391 -45.163 38.539 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 10.782 -45.400 37.667 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 11.027 -45.509 39.181 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 16.661 -43.128 39.729 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 15.706 -43.228 39.890 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 16.954 -42.523 40.432 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 13.462 -47.792 31.683 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 13.562 -48.312 32.489 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 14.107 -47.054 31.789 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 11.505 -42.627 41.964 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 10.617 -42.709 42.384 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 11.809 -41.727 42.229 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 12.902 -45.355 33.739 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 13.496 -45.504 34.509 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 13.513 -45.324 32.975 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -0.109 -44.758 34.891 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -0.330 -44.030 34.270 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -0.662 -44.572 35.684 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 1.312 -44.485 40.479 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 0.434 -44.125 40.233 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 1.751 -44.644 39.622 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 14.866 -45.448 31.846 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 14.674 -44.767 31.180 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 15.713 -45.151 32.257 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 18.173 -42.384 43.510 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 17.390 -42.173 42.962 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 18.676 -43.037 42.965 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 14.080 -42.480 40.655 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 13.278 -42.661 41.182 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 13.744 -42.359 39.745 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 9.535 -45.942 29.272 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 10.093 -46.210 28.513 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 10.116 -46.062 30.049 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 4.160 -45.124 33.665 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 4.892 -44.674 34.135 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 3.501 -45.305 34.372 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 12.959 -42.890 38.137 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.065 -42.683 38.495 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 13.118 -43.824 38.413 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 1.137 -47.392 26.882 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 2.065 -47.510 26.655 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 1.031 -47.900 27.728 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 6.665 -42.823 32.994 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 6.262 -41.907 32.972 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 6.310 -43.218 33.809 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 1.036 -39.134 45.481 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 0.286 -38.742 44.989 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 1.084 -40.049 45.154 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 6.365 -38.275 45.364 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 6.350 -39.247 45.282 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 5.445 -38.039 45.589 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 12.968 -41.431 45.262 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 12.066 -41.835 45.327 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 13.567 -42.188 45.258 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 -0.998 -44.579 44.478 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 -1.868 -44.406 44.050 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 -1.212 -44.685 45.408 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.783 -41.746 41.227 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 6.803 -41.546 40.261 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 6.120 -42.446 41.308 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.354 -40.195 42.846 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.817 -40.399 43.683 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.926 -39.518 42.411 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 5.350 -41.842 28.047 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 5.478 -40.894 28.238 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 5.940 -42.014 27.273 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 9.032 -45.331 43.064 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 9.109 -46.283 43.147 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 8.852 -45.185 42.105 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 5.840 -44.811 40.348 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 5.491 -45.731 40.319 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 5.068 -44.273 40.605 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 15.428 -44.278 45.119 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 16.086 -44.244 45.823 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 15.950 -44.474 44.316 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 19.404 -45.216 36.448 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 19.068 -45.296 37.367 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 19.560 -44.249 36.337 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 18.464 -44.370 29.723 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 18.103 -44.626 30.577 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 18.196 -45.100 29.119 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 7.449 -41.654 35.793 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 8.223 -41.085 36.019 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 6.868 -41.050 35.264 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 -2.210 -47.067 37.973 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 -1.371 -47.511 37.702 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 -2.656 -47.721 38.517 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 13.774 -46.142 44.010 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 13.538 -46.794 44.678 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 14.197 -45.415 44.522 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 14.774 -45.942 35.627 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 15.221 -46.809 35.517 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 15.505 -45.315 35.776 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 13.503 -45.375 39.151 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 14.343 -45.851 39.212 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 13.194 -45.311 40.086 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 12.621 -45.161 41.684 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 12.111 -44.359 41.916 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 12.919 -45.513 42.548 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 3.749 -40.116 43.690 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 4.528 -40.686 43.829 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 2.984 -40.724 43.818 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 14.278 -35.998 42.827 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 14.375 -35.281 42.185 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 14.263 -36.821 42.273 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 15.652 -39.379 43.694 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 15.187 -38.909 42.956 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 15.138 -39.147 44.481 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 14.117 -36.613 47.278 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 15.079 -36.715 47.393 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 13.819 -36.206 48.119 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.245 -40.879 46.737 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.663 -40.126 47.202 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 7.578 -41.216 47.383 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 20.645 -36.496 46.590 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 19.942 -37.167 46.464 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 20.291 -35.689 46.152 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 9.006 -42.635 43.043 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 8.915 -43.610 43.166 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 8.287 -42.404 42.426 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 6.400 -41.601 48.558 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 6.323 -42.274 49.236 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 5.586 -41.058 48.665 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 9.633 -38.803 48.071 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 10.364 -38.953 47.423 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.086 -38.664 48.909 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 4.156 -40.126 49.066 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 3.265 -39.917 48.772 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 4.525 -39.258 49.349 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 6.444 -40.968 44.545 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 7.104 -41.152 45.251 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 6.040 -41.844 44.358 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.887 -39.502 43.923 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 10.688 -39.756 43.420 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.213 -39.361 44.831 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.150 -36.516 44.873 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 15.676 -36.748 44.058 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.005 -35.547 44.960 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 4.659 -42.938 43.654 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.347 -43.066 42.734 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 4.107 -43.536 44.174 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 10.387 -42.202 45.440 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.711 -41.799 46.021 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.917 -42.338 44.593 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 8.790 -37.103 46.004 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 7.887 -37.401 45.764 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 9.020 -37.644 46.780 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 11.529 -39.231 46.195 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 12.051 -38.522 45.755 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 12.053 -40.043 46.036 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 3.560 -38.049 45.519 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 3.755 -38.696 44.811 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 2.622 -38.235 45.752 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 10.387 -22.725 -0.866 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.200 -22.080 -1.579 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.590 -23.550 -1.344 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 9.355 -19.664 1.639 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.132 -18.795 2.043 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 8.815 -20.299 2.134 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 12.400 -30.235 3.760 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.811 -30.452 2.898 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.973 -30.689 4.414 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 9.131 -27.788 1.287 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 9.285 -28.474 1.987 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 8.323 -28.078 0.848 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 16.718 -30.203 5.114 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 16.836 -29.838 6.013 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 17.623 -30.491 4.854 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 11.072 -24.572 -2.825 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 11.763 -23.946 -3.128 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 10.273 -24.314 -3.339 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 7.149 -25.210 7.711 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 7.447 -25.695 6.926 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 7.485 -24.299 7.571 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 3.815 -24.370 5.858 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 3.820 -23.950 6.743 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 3.868 -23.623 5.241 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 10.517 -21.382 -3.285 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 11.459 -21.632 -3.391 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 10.499 -20.414 -3.486 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 12.972 -22.616 -3.505 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 13.480 -22.375 -4.288 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.656 -22.844 -2.837 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 11.702 -27.110 -2.145 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 11.619 -27.500 -3.040 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 11.374 -26.189 -2.259 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 16.800 -26.991 6.237 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 17.324 -26.336 6.756 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 17.046 -26.813 5.321 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 11.197 -27.025 -4.856 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 10.964 -27.267 -5.757 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 10.953 -26.095 -4.788 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 8.386 -22.576 2.608 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 8.314 -22.614 1.647 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 8.572 -23.504 2.868 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.998 -26.874 5.163 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 9.957 -27.093 5.165 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 8.561 -27.739 5.265 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 8.152 -22.641 7.325 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 8.803 -21.915 7.209 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.287 -22.181 7.318 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 1.933 -26.500 9.297 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 2.887 -26.301 9.238 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 1.586 -26.254 8.421 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.089 -23.403 -4.269 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 9.627 -22.636 -3.970 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.230 -23.022 -4.469 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 3.703 -21.067 7.355 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 3.744 -20.361 8.029 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 3.564 -21.890 7.879 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 -4.324 -23.096 9.090 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 -4.090 -22.247 9.514 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 -5.270 -22.980 8.840 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 14.927 -30.071 8.887 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 15.794 -30.051 8.436 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 15.096 -30.586 9.705 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 2.912 -21.612 4.836 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 1.952 -21.610 4.895 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 3.211 -21.347 5.737 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 10.426 -33.979 7.476 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.198 -34.526 7.241 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 9.885 -34.565 8.050 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 11.740 -28.022 0.411 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 11.694 -27.781 -0.544 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 10.807 -28.182 0.660 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 9.775 -28.062 10.750 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 8.800 -28.075 10.882 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 10.068 -28.955 11.046 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 14.404 -27.591 0.873 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 13.485 -27.920 0.743 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 14.799 -28.230 1.503 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 2.450 -28.400 6.275 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 2.560 -29.239 5.811 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 1.831 -28.616 7.012 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 13.932 -30.998 1.589 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 13.500 -30.995 0.727 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 14.408 -31.867 1.617 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 1.559 -25.787 6.537 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 1.752 -26.719 6.303 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 2.356 -25.297 6.236 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 9.684 -29.695 3.083 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 10.559 -30.035 3.353 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 9.146 -29.737 3.904 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 8.198 -29.620 5.377 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 7.323 -29.718 5.767 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 8.787 -30.132 5.974 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -0.391 -23.986 7.160 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 -0.872 -23.894 6.332 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 0.325 -24.633 6.952 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 10.137 -25.985 8.772 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 9.703 -26.583 8.139 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 10.303 -26.548 9.549 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 9.033 -25.401 2.819 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 8.939 -25.810 3.708 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 8.977 -26.157 2.204 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 6.393 -20.634 6.779 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 6.620 -20.598 5.827 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 5.421 -20.751 6.792 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 15.128 -23.555 -2.014 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 15.933 -23.836 -2.463 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 14.710 -24.403 -1.717 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 15.258 -33.359 1.478 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 15.169 -33.878 2.311 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 15.761 -33.934 0.895 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 9.027 -28.632 8.099 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 9.408 -28.533 8.991 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 9.446 -29.444 7.749 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 14.296 -31.555 5.329 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 15.187 -31.157 5.217 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 14.479 -32.494 5.545 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 15.962 -25.323 1.278 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 15.333 -26.035 1.046 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 16.753 -25.802 1.584 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 10.704 -23.663 7.368 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 9.759 -23.441 7.268 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 10.695 -24.532 7.824 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 4.966 -27.188 5.949 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 4.090 -27.614 6.030 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 4.761 -26.251 5.781 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 14.952 -26.240 11.459 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.521 -25.812 10.784 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 14.343 -26.790 10.935 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 6.271 -28.297 8.083 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.244 -28.367 7.959 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 5.945 -27.932 7.228 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 11.582 -27.844 4.914 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 11.791 -28.704 4.497 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 12.388 -27.627 5.430 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 14.161 -27.429 9.045 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 14.999 -26.921 9.008 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 14.444 -28.369 9.023 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 7.447 -30.960 11.617 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 7.366 -31.724 11.007 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 8.409 -30.822 11.688 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 9.982 -31.044 6.969 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 10.950 -30.893 7.036 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 9.893 -32.016 6.998 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.259 -30.672 11.381 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 10.711 -31.118 10.636 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.369 -31.302 12.137 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 11.297 -32.274 9.393 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 11.859 -31.709 8.813 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 10.991 -32.991 8.795 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 3.169 -32.854 11.292 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 2.429 -33.072 11.899 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.711 -32.203 11.794 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 4.580 -35.302 11.734 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 4.890 -35.209 12.664 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 4.160 -34.442 11.533 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 11.507 -21.368 1.217 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 10.863 -20.650 1.391 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 11.122 -21.850 0.451 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 16.080 -22.706 0.522 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 15.676 -22.765 -0.366 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 16.103 -23.642 0.835 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 17.127 -22.136 3.128 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 16.510 -21.433 3.366 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 16.914 -22.335 2.198 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 14.102 -25.963 -1.351 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 14.343 -26.571 -0.625 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 13.338 -26.398 -1.781 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 19.014 -31.403 7.669 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 18.495 -30.584 7.526 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 18.399 -31.982 8.184 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 17.586 -27.512 1.974 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 17.944 -27.998 1.220 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 16.904 -28.118 2.348 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 13.908 -27.205 6.263 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 13.717 -27.189 7.222 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 14.881 -27.168 6.216 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 1.812 -31.412 9.342 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 2.429 -31.915 9.915 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 1.189 -32.098 9.003 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 12.724 -35.642 7.878 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 13.489 -36.252 7.940 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 12.142 -35.926 8.607 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 12.730 -30.937 7.504 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 13.427 -30.505 8.049 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 13.192 -31.159 6.666 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 10.645 -18.762 -3.778 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 10.182 -18.092 -3.230 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 11.087 -18.246 -4.456 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 3.531 -23.538 8.556 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 3.874 -24.449 8.670 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 3.409 -23.212 9.478 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 4.749 -20.167 3.361 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 4.299 -19.335 3.181 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 4.066 -20.725 3.788 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 5.290 -16.421 3.873 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 5.429 -16.800 2.982 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 5.395 -15.473 3.744 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 8.307 -18.144 5.263 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 7.881 -18.996 5.035 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 9.246 -18.264 4.979 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 7.313 -20.516 4.161 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 7.680 -21.300 3.699 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 6.427 -20.386 3.745 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 1.341 -35.619 8.410 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 2.240 -35.765 8.719 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 0.817 -36.323 8.851 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 15.080 -34.977 3.684 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 15.046 -35.930 3.804 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 14.960 -34.618 4.587 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 1.090 -21.695 14.846 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 0.304 -22.040 14.348 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 1.227 -22.357 15.561 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 7.051 -28.365 10.704 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 6.971 -29.255 11.111 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 6.642 -28.472 9.817 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 1.135 -33.639 13.007 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 1.615 -33.874 13.815 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 0.305 -33.213 13.334 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 5.616 -24.240 12.376 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 5.258 -24.994 12.855 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.150 -24.648 11.651 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 4.611 -26.061 8.690 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 4.831 -27.010 8.698 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 5.417 -25.637 8.326 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.002 -25.641 10.497 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.012 -26.611 10.644 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 7.132 -25.544 9.531 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 -1.075 -25.852 11.632 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 -1.611 -25.422 12.328 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 -1.327 -25.371 10.812 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 -0.223 -19.532 15.879 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 -1.145 -19.707 15.637 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 0.278 -20.266 15.464 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -0.333 -20.904 19.335 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -1.229 -21.101 18.987 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -0.452 -20.875 20.302 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 15.368 -29.778 13.314 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 15.499 -29.830 14.263 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 15.923 -29.012 13.037 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 15.508 -31.413 11.200 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 15.408 -30.854 12.008 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 14.735 -32.028 11.240 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 -0.995 -15.762 22.694 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 -1.197 -16.653 22.329 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 -1.633 -15.656 23.433 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 0.065 -33.243 8.446 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 0.551 -34.092 8.320 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 -0.835 -33.514 8.641 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 2.605 -20.786 12.751 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 2.010 -21.128 13.460 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 3.152 -20.130 13.200 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 4.780 -31.158 12.725 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 5.749 -31.116 12.630 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 4.639 -31.533 13.622 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 3.753 -22.695 11.127 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 4.295 -23.251 11.724 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 3.300 -22.063 11.729 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.119 -30.966 36.709 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 0.952 -31.921 36.640 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 0.528 -30.567 36.026 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 15.076 -24.500 35.484 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 14.951 -25.310 35.992 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 14.170 -24.273 35.165 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 12.052 -18.462 35.635 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 12.952 -18.844 35.657 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 11.560 -18.965 36.321 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 6.192 -22.866 36.503 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 6.264 -23.557 37.200 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 5.230 -22.656 36.478 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 12.464 -23.920 35.074 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 12.264 -23.759 36.023 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 11.661 -23.630 34.612 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 14.730 -19.517 35.258 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 15.014 -20.321 35.745 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 15.193 -19.583 34.399 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 10.052 -24.000 33.604 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.653 -24.649 33.221 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 9.850 -23.394 32.863 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 16.922 -25.541 39.595 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 16.470 -26.399 39.740 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 17.301 -25.619 38.698 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 11.713 -23.535 37.672 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 11.655 -24.038 38.510 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 11.703 -22.602 37.959 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 10.685 -24.594 39.981 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 10.796 -25.064 40.838 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 10.773 -23.647 40.215 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 4.919 -27.829 37.645 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 4.442 -27.004 37.870 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 4.233 -28.529 37.725 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 0.342 -25.989 39.179 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -0.604 -26.022 39.358 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 0.666 -26.878 39.443 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 1.554 -24.210 37.459 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 0.999 -24.775 38.043 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 0.928 -23.871 36.789 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 8.524 -21.603 37.401 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 8.358 -21.822 38.323 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.741 -21.952 36.928 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 3.537 -25.653 38.646 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 2.934 -25.074 38.126 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 2.966 -26.031 39.328 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 11.405 -28.022 44.166 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 12.304 -28.354 43.977 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 11.126 -28.535 44.944 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 3.723 -31.296 43.738 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 3.927 -31.161 42.803 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 2.750 -31.254 43.778 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.353 -28.019 38.768 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 6.456 -27.993 38.361 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 7.286 -28.737 39.438 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 0.940 -28.526 40.072 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 1.312 -29.217 40.666 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 -0.013 -28.759 40.007 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 6.740 -30.092 40.463 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 7.116 -30.977 40.353 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 5.773 -30.252 40.528 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 13.362 -22.890 41.420 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 14.300 -22.936 41.134 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 13.332 -23.439 42.228 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 17.449 -27.343 42.203 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 16.725 -27.393 42.863 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 17.036 -27.646 41.376 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 10.293 -19.491 37.524 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.692 -18.723 37.557 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 9.695 -20.257 37.383 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 3.477 -22.435 36.510 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 3.323 -21.559 36.926 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 2.811 -23.020 36.925 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 15.736 -21.892 36.332 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 15.321 -22.742 36.081 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 16.319 -22.125 37.087 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 6.092 -24.708 38.549 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 5.141 -24.944 38.616 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 6.544 -25.420 39.011 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 13.497 -27.247 41.641 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 12.663 -26.741 41.628 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 13.503 -27.720 40.793 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 4.132 -30.863 40.326 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 3.283 -30.905 40.810 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 3.887 -30.484 39.459 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 11.858 -25.559 45.805 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 11.266 -25.041 46.403 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 11.276 -26.227 45.412 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 5.560 -30.951 45.825 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 5.045 -31.567 46.389 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 5.057 -30.925 44.986 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 8.106 -30.596 46.677 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 7.231 -30.905 46.337 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 8.042 -29.635 46.637 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 10.536 -31.850 45.867 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 9.601 -31.616 46.033 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 11.026 -31.027 46.069 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 0.934 -31.946 43.709 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 0.017 -32.151 43.916 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 1.439 -32.722 44.055 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 10.732 -35.899 44.476 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 11.485 -36.503 44.630 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 9.992 -36.304 44.980 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 -0.832 -20.062 35.309 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 -1.376 -20.676 34.774 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 -1.393 -19.251 35.382 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 17.570 -22.818 38.171 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 18.398 -22.445 38.498 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 17.803 -23.735 37.922 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 13.238 -24.717 43.579 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 12.861 -24.858 44.477 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 14.069 -25.217 43.591 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.947 -27.731 37.165 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 17.433 -28.403 36.639 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 17.449 -26.908 37.017 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.978 -23.127 40.484 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 16.224 -24.070 40.391 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 16.313 -22.717 39.668 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 1.640 -30.841 41.352 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 1.287 -31.208 42.193 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 1.343 -31.489 40.665 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 3.290 -19.824 37.344 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 3.430 -19.175 38.062 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 3.694 -19.397 36.556 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 3.357 -17.365 38.701 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 2.991 -16.896 37.924 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 2.857 -17.013 39.446 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 8.796 -17.062 37.653 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 9.111 -16.584 38.426 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 7.812 -16.976 37.701 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 11.361 -21.877 39.889 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.355 -20.913 39.875 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.108 -22.107 40.494 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 0.977 -18.471 36.707 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 1.644 -19.125 36.990 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 0.283 -19.008 36.275 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 3.929 -18.287 35.164 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 4.610 -17.837 34.619 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 3.222 -17.625 35.252 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 5.404 -22.264 33.750 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 5.988 -21.571 33.377 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 5.797 -22.467 34.620 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 2.607 -33.814 44.727 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 3.315 -33.150 44.691 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 2.936 -34.481 45.358 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 3.778 -35.513 46.636 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 3.727 -36.385 46.186 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 3.829 -35.736 47.581 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.428 -33.924 44.770 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 15.210 -33.023 45.113 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.609 -34.217 44.341 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 10.090 -30.664 51.249 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 10.057 -30.425 50.296 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 10.340 -31.605 51.244 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.187 -33.346 43.522 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 10.942 -32.851 44.324 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 11.042 -34.286 43.768 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 10.715 -27.987 51.697 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 10.519 -28.936 51.540 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 10.794 -27.919 52.651 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 12.814 -27.291 47.757 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 13.774 -27.498 47.706 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 12.687 -26.584 47.091 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 16.954 -36.808 47.403 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 17.657 -37.488 47.402 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 16.688 -36.741 46.456 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 13.005 -37.344 44.886 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 13.412 -36.805 44.172 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 13.477 -37.057 45.704 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 11.066 -33.142 50.372 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 10.990 -33.422 49.442 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 11.998 -32.894 50.466 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 4.032 -35.119 49.502 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 4.637 -34.355 49.609 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 3.169 -34.778 49.765 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.772 -29.471 46.531 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.037 -28.734 47.129 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.570 -29.604 45.951 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 17.247 -31.662 48.686 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 17.406 -32.595 48.408 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 16.346 -31.461 48.352 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 10.328 -24.354 47.759 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 10.519 -25.043 48.443 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 9.972 -23.618 48.261 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 10.990 -26.263 49.554 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 10.827 -26.839 50.334 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 11.689 -26.731 49.055 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 11.755 -33.587 47.648 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 11.874 -34.416 47.165 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 11.291 -33.001 47.010 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 5.721 -32.908 49.608 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 5.688 -32.071 50.093 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 6.659 -33.021 49.395 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 11.168 -25.949 42.301 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 11.796 -25.359 42.774 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 11.026 -26.694 42.924 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 10.103 -30.301 48.582 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 10.805 -30.019 47.968 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 9.353 -30.520 48.000 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 15.166 -27.427 43.782 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 14.752 -28.169 44.283 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 14.596 -27.331 42.986 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 15.425 -27.889 47.378 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 16.102 -27.719 48.073 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 15.888 -27.719 46.547 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 17.962 -29.224 51.293 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 17.602 -30.106 51.517 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 18.937 -29.358 51.271 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 14.871 -30.615 47.853 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 14.778 -30.889 46.905 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 14.921 -29.640 47.812 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 16.624 -31.641 51.361 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 15.687 -31.858 51.328 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 16.920 -31.711 50.430 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.807 -35.407 49.687 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.827 -34.430 49.610 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 14.286 -35.590 50.499 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 19.715 -34.022 45.992 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 18.936 -34.001 46.585 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 20.280 -33.313 46.320 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 13.707 -32.650 49.327 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.025 -32.918 48.670 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 14.132 -31.865 48.919 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 4.241 -32.860 47.218 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 4.076 -33.789 46.956 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 4.712 -32.930 48.065 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 5.104 -37.635 49.692 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 4.695 -36.745 49.710 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 6.047 -37.461 49.633 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 5.872 -13.380 -1.254 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 5.583 -12.458 -1.092 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 6.831 -13.347 -1.160 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 18.527 -4.302 3.856 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 19.396 -3.997 4.196 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 17.949 -3.514 3.938 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 10.843 -6.021 1.519 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 10.210 -5.337 1.757 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 11.075 -6.437 2.365 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 18.325 -12.574 3.889 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 19.302 -12.558 3.886 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 18.096 -13.414 3.447 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 10.982 -15.330 3.497 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 10.382 -14.815 2.916 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 11.817 -15.388 2.985 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 4.894 -8.309 0.529 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.552 -8.373 1.260 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 4.537 -7.424 0.609 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 9.268 -16.718 -2.506 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 8.706 -16.244 -3.130 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 9.295 -16.131 -1.715 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 5.951 -17.099 1.280 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 6.562 -17.536 0.646 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 5.332 -16.594 0.701 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 15.067 -3.312 6.300 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 14.096 -3.469 6.285 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 15.210 -2.792 7.103 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 5.460 -10.781 -0.433 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.114 -9.876 -0.241 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.410 -10.639 -0.618 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 0.037 -6.414 7.095 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 0.384 -6.371 6.198 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 -0.916 -6.473 6.980 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 6.769 -8.646 2.453 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 7.043 -9.576 2.490 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.506 -8.165 2.893 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 8.028 -18.005 -0.309 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 8.579 -18.681 0.129 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 8.444 -17.883 -1.180 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 7.818 -11.306 2.094 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 6.920 -11.705 2.198 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 7.861 -11.063 1.146 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 10.423 -9.704 -1.695 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 10.587 -8.789 -1.354 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.676 -9.658 -2.621 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 12.868 -13.418 0.104 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 13.824 -13.438 0.282 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 12.544 -14.256 0.472 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 13.787 -0.202 9.707 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 13.603 0.029 10.643 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 14.754 -0.195 9.647 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 8.221 -10.995 -0.626 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 8.945 -11.588 -0.359 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 8.672 -10.292 -1.132 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 9.574 -13.528 1.849 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 8.864 -12.936 2.159 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.153 -12.943 1.316 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 11.816 -9.303 4.841 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 11.594 -8.367 4.665 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 11.378 -9.794 4.104 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 7.248 -5.834 5.415 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 6.444 -5.762 4.889 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 6.927 -5.808 6.350 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 9.827 -5.154 6.172 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 8.905 -5.215 5.843 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 9.740 -5.281 7.145 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 10.446 -10.665 2.890 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 10.785 -10.855 1.995 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 9.479 -10.760 2.801 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 11.333 -6.576 4.439 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 12.221 -6.194 4.492 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 10.815 -6.070 5.111 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 12.319 -3.753 6.304 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 11.428 -4.121 6.165 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 12.245 -3.257 7.149 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 10.829 -11.626 0.252 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 10.827 -10.920 -0.434 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.644 -12.150 0.056 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 9.104 -5.391 8.776 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 8.188 -5.673 8.566 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 9.163 -5.479 9.749 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 4.663 -6.886 9.522 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 3.702 -6.774 9.334 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 4.813 -7.858 9.435 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 8.778 -7.538 3.882 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 8.284 -6.989 4.524 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 9.711 -7.327 4.057 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 5.286 -12.228 1.903 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 4.401 -12.546 2.100 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 5.188 -11.757 1.047 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 9.234 -15.612 5.686 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 8.723 -16.445 5.564 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 9.835 -15.587 4.907 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 4.563 -15.639 -0.518 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 3.889 -15.705 -1.198 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.046 -14.808 -0.739 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 13.815 -9.200 6.706 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 13.272 -9.143 5.895 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 14.263 -8.325 6.753 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 8.640 -16.252 8.441 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 7.952 -16.961 8.430 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 8.708 -15.975 7.510 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.335 -17.263 2.661 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 7.467 -17.145 2.227 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.112 -17.454 3.591 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 5.324 -15.428 9.301 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 5.509 -15.579 8.349 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 4.513 -15.917 9.462 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 21.945 0.554 4.668 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 22.401 0.310 3.830 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 21.088 0.920 4.379 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 18.913 -1.190 4.356 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 18.889 -0.221 4.191 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 17.986 -1.479 4.227 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 15.030 -6.760 6.234 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.861 -5.825 6.415 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 15.784 -6.749 5.603 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 16.484 -2.415 4.150 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 15.762 -2.189 3.554 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 16.031 -2.779 4.948 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 10.915 -7.150 -0.992 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 11.044 -6.351 -1.509 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 10.881 -6.831 -0.061 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.369 -0.500 8.561 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 9.575 -1.063 8.635 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.099 -1.137 8.462 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 8.838 -15.193 -0.248 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 9.061 -14.659 0.541 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 8.448 -16.006 0.119 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 15.493 -14.234 1.019 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 16.139 -14.342 1.747 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 16.041 -14.044 0.246 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 18.753 -13.927 0.059 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 18.981 -13.896 -0.875 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 19.514 -13.491 0.506 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 13.187 -15.665 1.817 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 14.008 -15.142 1.692 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 13.436 -16.560 1.560 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 5.576 -16.283 6.641 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 6.072 -17.083 6.887 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 5.393 -16.400 5.686 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 6.019 -21.748 9.817 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 5.648 -20.901 9.506 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.261 -22.197 10.239 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 11.427 -9.228 17.131 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 10.833 -9.966 17.368 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 11.925 -9.053 17.951 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 12.517 -9.199 19.725 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 11.979 -9.852 20.195 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 12.659 -8.496 20.373 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 4.154 -10.314 20.559 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 3.279 -10.097 20.938 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 4.342 -11.209 20.893 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 15.324 -9.374 19.330 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 15.359 -8.461 19.688 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 14.370 -9.583 19.311 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 9.920 -11.408 18.053 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 9.074 -11.624 17.596 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 9.708 -11.496 18.994 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 5.943 -19.314 11.823 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 5.889 -18.563 12.453 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 6.710 -19.832 12.141 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 10.405 -14.046 13.859 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 10.688 -13.561 14.665 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 9.704 -13.486 13.475 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 0.424 -13.742 17.769 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 -0.501 -14.041 17.849 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 0.547 -13.143 18.535 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 5.156 -12.650 17.972 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 5.083 -12.383 18.900 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 4.495 -13.368 17.880 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 7.509 -9.790 10.967 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 7.178 -10.359 11.686 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 7.956 -9.056 11.428 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 17.426 -12.019 15.085 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 17.262 -11.442 15.865 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 17.762 -12.859 15.479 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 5.248 -12.777 21.275 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 4.826 -13.636 21.026 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 5.196 -12.762 22.253 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 13.451 1.865 14.562 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 13.202 2.399 15.323 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 14.280 1.418 14.842 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 10.132 -8.353 14.830 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 10.817 -8.455 15.523 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 9.317 -8.686 15.257 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 15.835 -8.160 26.486 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 16.512 -7.529 26.169 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 16.351 -8.921 26.812 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 19.534 -9.835 22.681 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 18.641 -9.808 22.277 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 19.358 -9.945 23.634 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 16.937 -9.590 21.806 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 16.442 -9.503 20.969 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 16.786 -8.739 22.266 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 6.912 -10.782 20.220 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 6.582 -11.644 20.541 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 6.109 -10.232 20.158 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 11.315 -6.964 27.364 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 12.075 -7.585 27.331 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 11.467 -6.366 26.628 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 3.033 -14.348 17.121 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 3.146 -14.093 16.197 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 2.095 -14.115 17.323 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 16.978 -6.984 22.993 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 16.951 -6.821 23.955 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 17.850 -6.628 22.719 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 15.768 -4.119 13.472 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 15.389 -4.724 14.117 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 15.251 -3.291 13.587 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 14.387 -1.788 14.036 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 14.778 -1.239 14.741 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 14.184 -1.149 13.327 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 3.842 -15.009 20.652 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 3.882 -15.736 20.000 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 2.890 -14.957 20.887 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 6.114 -17.247 13.564 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 7.010 -16.850 13.466 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 5.519 -16.491 13.536 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 9.165 -12.369 26.621 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 8.313 -12.064 26.253 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 9.675 -11.538 26.771 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.369 -12.604 16.013 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 10.844 -12.170 16.717 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 12.194 -12.838 16.446 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 0.688 -12.308 20.101 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 1.389 -11.653 20.251 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 -0.072 -11.963 20.616 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 6.869 -18.305 8.176 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 6.070 -18.469 8.712 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 6.956 -19.113 7.630 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 10.257 -12.410 21.744 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.380 -13.234 21.260 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 10.401 -12.661 22.687 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 7.610 -11.993 16.795 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 7.657 -12.825 16.270 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 6.810 -12.111 17.353 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 6.515 -11.353 13.166 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 6.339 -10.430 13.441 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 5.935 -11.889 13.749 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 8.667 -12.757 12.165 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 7.893 -12.257 12.509 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 8.271 -13.419 11.553 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 7.861 -9.330 16.090 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 7.643 -8.983 16.964 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 7.817 -10.306 16.204 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 5.596 -18.222 18.184 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 4.844 -17.650 18.437 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 5.202 -19.115 18.118 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 4.967 -6.447 13.598 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 5.428 -7.300 13.744 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 4.115 -6.562 14.026 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 16.660 -12.294 22.340 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.456 -12.302 23.298 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 16.747 -11.344 22.124 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 8.957 -5.056 11.514 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 8.931 -4.120 11.805 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 8.008 -5.331 11.514 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 1.598 -10.133 21.870 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 1.504 -9.426 22.540 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 0.721 -10.562 21.862 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 9.576 -8.303 28.945 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 10.210 -7.759 28.418 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 8.881 -7.685 29.186 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 17.744 -6.265 25.703 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 18.686 -6.475 25.719 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 17.675 -5.436 26.235 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 6.604 -8.644 13.786 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 7.315 -8.248 13.239 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 7.037 -8.822 14.649 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 11.695 -4.098 10.867 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 10.816 -4.493 10.993 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 11.735 -3.383 11.535 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 8.873 -7.772 12.472 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 9.420 -7.864 13.287 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 9.112 -6.891 12.125 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.200 -3.446 9.763 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 6.028 -2.649 10.314 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 6.122 -4.192 10.396 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.292 -5.675 11.362 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 5.741 -6.193 10.729 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.860 -5.833 12.234 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 6.468 -1.500 11.638 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 6.365 -0.714 12.179 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 7.403 -1.764 11.770 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 5.158 -12.864 15.146 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 5.905 -13.498 15.171 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 5.060 -12.578 16.074 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 10.564 -13.173 24.325 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 9.940 -12.987 25.056 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.405 -13.323 24.768 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 7.396 -14.394 15.438 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 7.827 -14.719 14.625 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.253 -15.212 15.971 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 7.695 -14.819 10.613 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 6.750 -14.886 10.349 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 8.172 -15.279 9.890 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 17.007 -10.349 17.261 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 16.319 -10.077 17.905 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.826 -10.327 17.771 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 0.145 -20.199 21.967 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 0.937 -19.675 21.814 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 -0.578 -19.536 21.985 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.738 -2.655 9.037 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 7.768 -2.771 9.142 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.055 -3.542 8.782 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 1.963 -6.629 9.059 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 1.311 -6.578 8.328 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 1.462 -6.383 9.839 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 6.458 -5.549 7.984 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 5.807 -6.144 8.424 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 6.300 -4.676 8.405 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 13.312 -8.879 27.264 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 14.090 -8.586 26.737 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 13.705 -9.200 28.100 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 0.328 -8.681 23.864 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 -0.233 -9.396 24.232 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 -0.198 -7.886 23.976 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 5.375 -9.477 9.289 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 6.212 -9.548 9.800 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 5.155 -10.386 9.072 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 7.019 -11.305 25.151 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 6.958 -10.399 25.467 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 7.457 -11.223 24.264 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 10.697 -10.171 27.091 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 11.581 -9.771 27.006 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 10.281 -9.677 27.823 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 8.116 -10.944 22.712 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 8.934 -11.406 22.435 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 7.702 -10.673 21.869 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 16.185 -12.027 25.085 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 15.380 -12.317 25.558 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 16.916 -12.302 25.676 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 4.785 -12.527 24.058 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 4.179 -11.790 24.195 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 5.605 -12.254 24.527 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 20.229 -1.008 31.703 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 19.741 -0.285 32.120 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 21.157 -0.771 31.827 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 12.500 -6.914 11.855 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 12.414 -6.032 11.458 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 13.453 -6.985 12.079 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 15.105 -7.518 12.655 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 15.488 -8.229 13.212 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 15.814 -6.868 12.580 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 20.947 -7.790 21.412 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 20.434 -7.020 21.724 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 20.569 -8.545 21.909 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 16.163 -9.650 14.187 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 16.720 -10.447 14.136 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 16.185 -9.408 15.124 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 18.232 -10.020 25.276 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 17.498 -10.464 24.816 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 18.027 -10.150 26.226 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 18.438 -14.341 16.034 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 18.339 -14.809 16.872 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 19.241 -14.733 15.635 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 17.406 -13.969 20.343 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 16.538 -13.990 19.934 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 17.275 -13.424 21.153 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 -0.843 -13.369 25.006 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 -1.595 -13.972 24.866 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 -0.123 -13.954 25.321 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 3.249 -16.789 18.558 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 3.092 -16.009 17.987 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 2.537 -17.410 18.319 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 -2.007 -14.605 18.990 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 -2.902 -15.005 18.927 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 -2.054 -14.053 19.796 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 15.755 0.457 15.194 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 16.235 0.981 15.871 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.468 0.085 14.636 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -1.515 -18.097 21.323 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -2.384 -18.336 20.922 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 -1.013 -17.691 20.579 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 3.880 -20.368 17.997 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 3.027 -19.878 17.994 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 3.620 -21.291 18.058 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 7.010 -16.938 16.278 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 6.603 -17.417 17.037 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 6.682 -17.409 15.496 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 4.571 -19.358 9.502 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 5.020 -19.274 10.378 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 3.626 -19.524 9.733 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 8.342 -15.738 13.159 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 9.249 -15.429 13.361 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 8.177 -15.418 12.246 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 9.100 -2.292 11.719 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 9.981 -1.977 12.004 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 9.130 -2.235 10.738 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 18.774 -18.604 34.379 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 18.828 -19.562 34.533 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 17.920 -18.487 33.907 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 4.859 -13.871 34.467 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 4.858 -13.457 33.575 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 5.738 -13.621 34.840 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 13.076 -13.788 31.334 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 13.584 -13.371 32.055 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 12.210 -14.003 31.737 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 16.587 -14.807 36.301 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 17.168 -15.481 36.721 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.862 -15.340 35.902 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 6.143 -16.524 38.117 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 5.415 -17.081 38.433 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 5.694 -15.729 37.758 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 12.788 -11.188 30.182 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 11.827 -10.993 30.185 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 12.846 -12.108 30.503 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 12.892 -10.811 33.713 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 13.438 -10.541 34.468 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 13.526 -11.239 33.105 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 4.465 -14.624 37.095 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 3.603 -15.077 37.027 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 4.588 -14.219 36.219 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 17.026 -10.379 27.770 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 17.316 -11.270 28.022 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 16.303 -10.171 28.409 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 10.212 -11.221 33.057 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 11.122 -10.913 33.271 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 10.153 -12.096 33.482 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 -0.565 -15.646 34.281 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 0.147 -15.008 34.085 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 -1.030 -15.760 33.426 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 1.036 -15.361 25.667 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 2.007 -15.259 25.527 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.785 -16.058 25.053 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 7.375 -13.057 35.221 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 8.210 -13.400 34.819 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 7.595 -12.935 36.152 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 2.860 -13.474 31.420 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 2.740 -13.489 30.445 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 3.741 -13.056 31.545 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 5.492 -12.945 31.997 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 6.075 -12.177 32.202 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 6.117 -13.663 31.778 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 5.675 -15.324 29.463 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 6.224 -15.193 30.267 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 6.269 -15.799 28.846 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 5.123 -16.466 33.483 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 4.990 -15.605 33.926 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 4.509 -16.440 32.718 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 10.092 -13.177 29.280 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 9.734 -13.157 28.375 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 10.068 -12.239 29.567 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 10.385 -14.476 31.641 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 10.269 -13.962 30.804 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 10.012 -15.355 31.430 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 7.370 -11.271 33.056 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 8.317 -11.069 32.938 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 7.333 -11.744 33.905 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 10.761 -17.741 33.197 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 11.396 -18.283 33.697 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 10.387 -17.141 33.868 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 3.627 -16.069 31.206 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 3.316 -15.143 31.304 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 4.265 -16.026 30.461 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.257 -14.276 28.785 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.206 -14.478 28.925 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 2.954 -14.976 28.180 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 2.248 -16.114 36.412 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 1.886 -15.646 35.638 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 1.643 -16.889 36.528 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 10.120 -10.654 30.302 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 9.813 -9.771 30.006 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 9.974 -10.650 31.272 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 14.913 -9.748 29.421 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 15.169 -9.192 30.168 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 14.187 -10.317 29.782 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 20.562 -7.012 28.410 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 20.284 -7.620 29.128 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 20.462 -7.547 27.595 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 16.783 -9.815 32.769 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 17.510 -10.450 32.933 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 17.234 -9.026 32.396 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 17.706 -12.986 30.172 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 17.312 -13.524 29.460 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 17.273 -13.319 30.983 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 15.283 -9.971 35.080 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 15.262 -9.075 35.428 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 15.782 -9.892 34.237 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 15.037 -12.089 32.518 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 15.636 -12.859 32.453 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 15.632 -11.317 32.473 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 2.048 -14.520 33.885 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 2.086 -14.157 32.975 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 2.878 -14.218 34.292 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 -1.586 -16.375 31.778 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 -0.682 -16.573 31.450 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 -1.943 -15.762 31.126 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 9.782 -13.879 34.234 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 10.045 -14.682 34.741 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 9.962 -14.120 33.297 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 15.193 -16.739 34.947 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 14.887 -17.612 35.257 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 15.764 -16.944 34.182 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 7.039 -15.357 31.787 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 6.600 -15.906 32.467 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 7.869 -15.843 31.584 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 10.313 -16.268 35.499 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 9.702 -16.560 36.210 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 11.105 -16.838 35.618 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 9.224 -16.928 31.094 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 9.577 -17.367 30.291 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 9.749 -17.325 31.832 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 19.782 6.113 1.590 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 19.766 6.633 0.784 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 18.954 6.358 2.052 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 12.112 1.654 8.544 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 12.777 1.020 8.875 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 11.287 1.123 8.490 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 16.485 2.889 5.301 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 15.830 2.188 5.388 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 16.276 3.504 6.033 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 16.256 0.579 11.859 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 16.650 1.327 11.365 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.963 0.295 12.466 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 12.391 -2.378 8.697 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 12.275 -2.995 9.450 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 12.915 -1.636 9.072 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 11.758 -1.898 12.559 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 12.144 -2.160 13.410 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 12.229 -1.072 12.331 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 15.714 4.757 7.242 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.874 5.497 7.839 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 14.808 4.453 7.477 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 17.422 6.702 2.968 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 17.578 6.497 3.922 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 16.915 7.519 2.983 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 13.183 4.080 8.151 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 12.441 4.645 7.909 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 12.783 3.172 8.217 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 17.154 2.903 10.473 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 17.463 3.273 9.634 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 16.216 3.210 10.541 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 17.499 1.942 16.722 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 18.180 2.243 16.067 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 17.498 2.633 17.392 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 14.576 3.697 10.527 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 13.934 3.865 11.225 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 14.070 3.822 9.700 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 16.270 -34.980 8.596 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 15.477 -35.510 8.796 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 17.011 -35.564 8.848 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 20.199 -36.568 8.951 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 20.148 -35.609 8.715 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 20.782 -36.942 8.282 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 26.542 -40.064 19.778 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 27.331 -39.705 19.327 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 25.818 -39.911 19.142 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 21.267 -45.669 21.472 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 21.313 -46.572 21.074 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 21.574 -45.800 22.389 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 20.329 -42.057 17.911 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 20.239 -42.261 16.962 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 20.585 -42.915 18.322 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 27.146 -36.459 18.061 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 27.755 -37.217 18.172 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 26.975 -36.158 18.976 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 24.281 -43.502 18.855 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 24.936 -43.745 18.193 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 24.758 -43.611 19.714 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 30.584 -40.571 18.089 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 30.709 -40.565 17.112 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 30.859 -41.451 18.357 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 28.721 -38.702 18.680 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 29.439 -39.363 18.508 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 28.902 -38.388 19.592 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 22.928 -41.335 17.890 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 21.973 -41.536 18.026 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 23.391 -42.127 18.246 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 21.887 -45.989 24.257 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 22.613 -45.400 24.498 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 21.858 -46.644 24.985 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 27.225 -39.846 22.378 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 27.830 -39.087 22.296 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 26.987 -40.057 21.446 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.335 -45.692 27.496 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 23.196 -44.810 27.100 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 23.933 -45.518 28.250 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 30.600 -40.516 15.372 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 30.973 -40.291 14.516 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 29.735 -40.043 15.391 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 20.250 -41.678 15.108 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 21.000 -41.054 15.216 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 20.150 -41.763 14.154 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 28.337 -39.094 15.785 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 27.429 -38.766 15.622 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 28.480 -38.932 16.732 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 21.543 -47.503 26.632 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 21.145 -47.888 27.436 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 22.249 -46.904 26.978 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 21.514 -48.207 20.532 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 21.501 -48.690 19.703 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 21.530 -48.913 21.221 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 21.525 -50.205 22.368 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 21.845 -51.063 22.650 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 21.132 -49.815 23.184 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 26.801 -42.481 22.986 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 27.001 -41.538 22.824 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 27.218 -42.668 23.855 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 21.569 -44.190 19.096 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 22.539 -44.106 19.034 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 21.427 -44.726 19.903 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 24.953 -44.249 29.240 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 25.703 -44.159 29.869 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 25.298 -43.866 28.407 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 29.840 -43.327 27.288 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 30.648 -43.845 27.291 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 30.043 -42.561 27.870 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 24.559 -39.222 18.042 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 24.247 -38.704 18.812 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 23.940 -39.989 18.001 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 27.850 -40.007 25.250 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 27.558 -39.814 24.344 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 27.933 -40.984 25.271 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 28.799 -37.692 21.301 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 29.418 -37.309 21.933 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 28.158 -36.966 21.122 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 23.235 -38.782 12.297 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 22.778 -37.965 12.004 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 24.029 -38.463 12.737 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 22.566 -40.124 15.417 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 22.686 -40.571 16.282 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 23.381 -39.625 15.296 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 21.320 -40.567 11.363 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 21.971 -39.922 11.714 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 21.860 -41.281 11.018 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 25.862 -37.961 16.038 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 26.201 -37.223 16.575 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 25.331 -38.490 16.673 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 21.502 -36.746 11.511 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 20.972 -37.141 12.231 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 20.923 -36.809 10.725 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 30.505 -41.198 28.819 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 29.820 -40.577 28.480 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 31.123 -40.632 29.290 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 27.892 -42.741 25.475 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 27.075 -42.906 25.998 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 28.621 -43.017 26.079 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 20.286 -43.595 25.967 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 19.874 -44.213 25.333 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 20.030 -43.939 26.833 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 25.601 -42.824 26.973 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 25.740 -42.041 27.552 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 24.658 -42.764 26.708 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 26.334 -40.900 28.821 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 26.620 -41.203 29.705 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 27.138 -40.491 28.437 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 25.769 -44.027 21.049 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 26.155 -43.380 21.688 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 25.837 -44.870 21.503 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 22.860 -43.087 26.702 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 22.698 -42.815 27.634 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 21.961 -43.133 26.307 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 21.553 -34.017 10.802 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 21.740 -34.929 11.105 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 22.443 -33.592 10.752 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 20.618 -38.431 13.711 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 20.231 -38.408 14.618 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 21.456 -38.911 13.827 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 18.965 -44.257 22.098 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 19.735 -44.622 21.615 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 18.999 -44.704 22.966 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 18.036 -48.034 25.262 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 17.097 -47.973 25.018 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 18.024 -48.386 26.179 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 12.701 -47.481 22.446 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 12.645 -47.707 21.491 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 13.429 -46.825 22.489 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 26.044 -36.158 25.190 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 25.443 -36.482 24.509 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 25.545 -36.272 26.030 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 25.408 -32.136 21.084 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 24.671 -32.117 21.736 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 26.185 -31.927 21.606 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 24.777 -36.417 22.153 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 24.354 -37.007 21.500 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 24.045 -36.133 22.731 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 18.875 -39.115 11.676 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 19.513 -39.735 11.275 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 19.331 -38.804 12.486 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 20.887 -45.391 39.897 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 21.041 -46.120 40.533 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 20.003 -45.581 39.520 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 17.151 -44.586 33.096 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 18.113 -44.590 33.119 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 16.893 -44.314 34.003 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 17.093 -48.119 37.945 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 17.951 -48.002 37.512 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 16.495 -48.373 37.220 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 21.025 -48.422 31.764 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 21.404 -49.186 32.210 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 21.018 -47.724 32.450 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 24.218 -46.185 40.836 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 25.164 -46.228 40.994 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 24.068 -45.274 40.502 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 23.215 -43.911 39.716 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 22.454 -44.534 39.781 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 22.853 -43.153 39.216 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 23.289 -41.668 33.759 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 22.703 -41.369 34.479 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 23.495 -42.588 33.993 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 23.024 -43.974 35.426 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 23.516 -44.163 36.230 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 22.411 -43.246 35.683 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 21.900 -46.796 42.108 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 21.990 -46.000 42.679 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 22.746 -46.823 41.605 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 24.575 -42.163 41.380 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.930 -41.512 40.766 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 24.169 -42.841 40.804 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 21.918 -44.437 43.508 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 21.438 -44.342 44.358 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 22.279 -43.544 43.340 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 26.309 -39.544 33.752 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 26.608 -39.556 34.673 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 25.392 -39.210 33.807 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 21.619 -40.347 40.967 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 21.914 -40.815 40.163 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 20.637 -40.348 40.895 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 19.654 -44.035 41.980 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 20.389 -44.269 42.580 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 19.952 -44.347 41.110 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 25.080 -38.527 38.997 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 25.795 -37.898 39.199 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 25.161 -38.671 38.032 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 28.220 -35.947 33.289 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 27.800 -35.061 33.222 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 28.438 -36.032 34.219 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 27.716 -37.154 29.170 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 27.757 -37.669 30.005 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 27.345 -36.291 29.447 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 21.110 -46.639 34.051 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 21.991 -46.264 33.913 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 20.736 -46.102 34.768 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.943 -47.829 43.749 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 20.624 -47.491 43.126 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 20.302 -48.664 44.059 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 16.164 -48.318 35.266 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 17.116 -48.062 35.199 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 16.105 -49.136 34.765 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 18.773 -47.675 35.457 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 18.948 -46.785 35.840 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 19.556 -47.854 34.914 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 22.621 -42.670 29.392 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 23.401 -43.249 29.535 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 22.734 -41.949 30.055 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 20.046 -43.664 45.344 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 19.497 -42.969 44.944 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 19.481 -44.469 45.296 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 27.384 -40.961 31.491 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 26.856 -40.806 32.299 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 27.824 -40.104 31.333 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 21.631 -41.946 38.611 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 21.670 -41.820 37.630 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 20.761 -42.338 38.762 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 24.840 -38.650 29.446 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 24.210 -38.740 28.699 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 25.400 -39.449 29.378 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 16.280 -45.711 42.811 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 15.374 -46.021 42.995 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 16.406 -45.890 41.861 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.745 -48.820 29.024 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.420 -49.507 28.992 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 20.759 -48.513 29.961 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 19.972 -42.307 28.687 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 20.886 -42.447 29.019 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 19.430 -42.940 29.205 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.780 -38.157 36.365 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 25.921 -37.195 36.463 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.078 -38.226 35.685 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 23.418 -37.949 31.658 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 24.047 -38.039 30.904 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 23.372 -36.981 31.816 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 18.240 -48.791 27.868 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 19.124 -48.863 28.296 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 17.772 -49.586 28.152 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.995 -40.022 44.980 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 20.171 -39.808 44.500 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 21.499 -40.573 44.355 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 27.795 -38.199 31.779 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 28.077 -37.344 32.178 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 27.213 -38.595 32.460 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 18.381 -45.760 44.655 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 18.940 -46.538 44.434 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 17.703 -45.751 43.951 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 28.543 -39.530 27.879 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 28.290 -38.623 28.154 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 28.354 -39.550 26.909 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 22.833 -40.616 31.241 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 22.984 -41.060 32.106 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 23.063 -39.682 31.412 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 27.304 -43.511 30.444 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 28.148 -43.586 29.987 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 27.394 -42.699 30.985 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 22.570 -36.142 28.815 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 21.801 -35.746 28.354 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 22.590 -37.060 28.499 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 16.151 -46.927 40.180 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 16.482 -47.373 39.363 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 15.801 -47.649 40.713 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 18.366 -39.717 44.059 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 18.337 -40.693 43.948 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 17.438 -39.432 43.905 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 23.168 -37.623 40.756 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 23.744 -37.987 40.043 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.602 -38.373 41.007 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 27.064 -36.515 39.077 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 26.603 -36.288 39.923 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 27.948 -36.776 39.353 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 23.938 -38.120 34.371 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 23.645 -37.232 34.671 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 23.627 -38.174 33.445 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 26.873 -34.621 29.955 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 26.197 -34.252 29.343 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.703 -34.238 29.649 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 22.679 -42.442 45.989 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 22.740 -42.184 45.055 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 21.800 -42.849 46.066 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 22.551 -41.696 43.188 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.461 -41.829 42.842 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.103 -41.192 42.473 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 18.901 -38.618 46.515 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 19.640 -39.210 46.726 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 18.596 -38.925 45.634 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 23.156 -39.720 46.731 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 22.379 -39.731 46.139 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 23.385 -40.659 46.833 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 23.329 -36.978 46.622 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.358 -36.834 46.611 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 23.424 -37.951 46.725 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 18.453 -25.174 7.406 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 18.775 -24.519 8.061 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 18.457 -24.683 6.558 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 19.446 -18.078 6.760 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 19.729 -18.852 6.224 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 18.493 -18.019 6.604 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 18.320 -23.791 4.988 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 17.876 -23.209 4.331 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 18.715 -24.508 4.441 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 17.207 -20.082 0.757 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 16.707 -20.912 0.636 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 17.857 -20.092 0.047 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 18.329 -21.767 6.865 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 18.143 -22.515 6.261 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 18.406 -22.188 7.748 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 21.988 -26.035 14.864 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 21.344 -25.790 14.155 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 21.861 -27.003 14.977 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 17.318 -29.240 7.710 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 17.531 -29.069 8.658 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 17.165 -28.344 7.332 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 20.065 -20.370 5.361 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.821 -20.968 5.402 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 19.360 -20.839 5.875 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.689 -18.022 13.390 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.026 -18.780 13.892 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.008 -18.411 12.796 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 16.218 -25.617 9.050 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 17.173 -25.595 8.862 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 15.836 -25.003 8.391 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 17.635 -29.329 10.454 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 17.229 -30.149 10.783 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 17.527 -28.694 11.200 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.291 -29.845 9.539 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 19.975 -30.447 8.842 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.480 -29.586 10.014 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 17.083 -32.466 9.192 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 16.648 -32.259 10.043 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 16.785 -33.380 8.989 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.695 -19.672 2.748 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 19.104 -20.375 2.436 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.839 -19.885 3.696 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 19.177 -25.812 3.392 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 20.057 -26.147 3.200 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 18.579 -26.416 2.905 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.350 -30.962 4.925 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.195 -31.230 4.557 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.388 -31.256 5.856 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 15.626 -29.227 2.796 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 15.964 -29.556 3.660 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 15.052 -29.958 2.470 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 18.798 -23.136 9.181 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 18.406 -23.385 10.045 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 19.736 -22.921 9.401 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 21.834 -17.913 2.672 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 21.151 -18.605 2.557 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 21.353 -17.075 2.509 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 24.130 -17.522 4.005 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 23.362 -17.759 3.425 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 24.522 -18.371 4.234 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 20.320 -33.909 8.366 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 20.055 -33.019 8.083 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 20.786 -33.763 9.217 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.895 -25.907 14.138 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 25.305 -25.230 13.746 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 26.331 -26.323 13.358 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.637 -28.281 14.928 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.262 -28.859 15.417 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 25.192 -27.547 14.607 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 30.100 -19.779 20.081 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 29.712 -19.123 20.696 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 29.478 -20.541 20.122 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 29.763 -15.985 19.526 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 29.451 -16.643 20.184 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 30.578 -16.389 19.150 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 26.100 -24.517 18.094 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 26.804 -24.524 17.437 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 25.324 -24.886 17.617 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 22.443 -33.590 18.196 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 22.601 -33.771 19.143 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.001 -34.394 17.875 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 24.233 -25.383 16.301 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 24.935 -25.585 15.647 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 23.409 -25.676 15.858 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.768 -24.263 13.471 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.541 -23.365 13.783 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.113 -24.842 13.910 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 28.550 -17.749 21.302 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 27.769 -18.338 21.343 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 28.316 -17.000 21.887 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 32.535 -19.799 18.881 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 32.887 -20.693 18.850 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 31.693 -19.887 19.383 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.556 -25.271 17.537 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 21.335 -25.591 16.644 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.510 -25.113 17.500 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 27.999 -21.498 20.044 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 27.409 -20.853 20.496 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 27.647 -22.371 20.318 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 23.657 -23.549 23.559 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 24.478 -24.071 23.498 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.439 -23.344 22.616 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 27.542 -20.564 17.427 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 28.252 -19.899 17.318 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 27.708 -20.947 18.313 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 26.373 -19.742 21.283 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 26.184 -19.602 22.235 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 25.556 -20.166 20.936 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.724 -16.561 17.733 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 28.362 -16.104 18.318 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 28.172 -17.403 17.510 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 31.933 -17.206 18.394 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 32.734 -16.718 18.179 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 32.253 -18.123 18.575 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 25.071 -36.348 27.735 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 24.236 -36.118 28.189 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.475 -37.025 28.309 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 22.011 -28.837 15.168 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 21.926 -29.689 15.634 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 22.987 -28.690 15.112 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.403 -30.991 27.410 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 27.212 -30.525 27.647 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.713 -31.739 26.838 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 16.988 -27.725 12.611 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 17.579 -27.228 13.244 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 16.352 -27.048 12.300 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 25.064 -31.207 18.507 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.373 -31.784 18.152 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 25.206 -31.538 19.421 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 21.747 -28.252 12.501 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 21.704 -28.535 13.439 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 21.048 -27.583 12.422 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.972 -27.636 11.019 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.251 -27.630 11.684 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.807 -28.444 10.505 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 26.257 -29.878 16.459 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.804 -30.252 17.256 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 27.183 -29.830 16.715 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 19.523 -34.156 15.972 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 19.983 -33.696 15.238 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 20.150 -34.843 16.253 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.226 -33.697 25.230 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.927 -34.547 24.864 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.187 -33.080 24.468 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 23.230 -24.571 10.789 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 23.443 -25.502 10.626 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 23.497 -24.425 11.720 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 26.094 -24.853 23.282 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 26.465 -24.331 22.542 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 25.843 -25.708 22.865 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 24.812 -30.180 25.245 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.967 -29.980 25.691 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 25.422 -30.388 25.975 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 28.197 -20.204 25.361 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 29.012 -20.546 25.735 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 27.505 -20.835 25.673 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.348 -21.437 16.142 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 26.218 -21.111 16.482 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 25.165 -22.218 16.680 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 26.374 -23.678 20.711 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 25.457 -23.361 20.884 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.333 -24.034 19.795 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.384 -18.074 9.360 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.070 -18.062 8.432 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 19.685 -18.546 9.845 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 21.590 -20.962 12.316 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 22.209 -21.332 12.989 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 22.085 -20.234 11.917 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.098 -33.262 28.387 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 25.020 -33.767 27.559 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 25.456 -32.397 28.105 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 23.271 -21.634 14.341 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 24.155 -21.583 14.767 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 22.686 -21.144 14.954 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 23.856 -31.773 23.312 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 24.309 -31.106 23.881 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 22.901 -31.634 23.501 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 24.966 -32.194 15.552 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.527 -31.409 15.688 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.530 -32.946 15.834 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 20.955 -32.823 14.026 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 21.416 -32.320 14.739 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 21.612 -32.887 13.321 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 20.339 -25.381 12.804 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 19.914 -24.763 12.189 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 19.597 -25.663 13.408 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.327 -16.800 27.086 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.148 -17.328 27.211 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 21.330 -16.582 26.131 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 22.149 -17.169 11.158 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 21.629 -17.581 10.429 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 21.678 -17.441 11.968 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 21.275 -22.704 10.186 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 21.467 -22.119 10.939 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 21.936 -23.432 10.272 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.184 -24.336 25.854 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.333 -24.092 25.449 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.742 -24.600 25.089 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.544 -27.157 11.817 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 27.013 -27.149 10.980 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 25.620 -27.389 11.574 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 23.869 -32.642 10.701 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.469 -31.740 10.687 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 24.812 -32.480 10.774 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 25.049 -26.790 21.679 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.626 -27.629 21.474 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.855 -26.232 20.917 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 22.578 -32.482 27.039 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 22.526 -31.542 26.757 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 23.090 -32.919 26.326 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 27.017 -33.217 26.035 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 26.287 -33.616 25.526 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 27.586 -33.983 26.275 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 22.430 -29.821 26.592 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 21.792 -29.241 26.164 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 22.934 -29.227 27.196 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 23.774 -15.534 12.631 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.262 -16.046 11.972 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 24.427 -16.179 12.978 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 24.288 -17.336 23.118 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 24.902 -18.026 23.464 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 24.702 -16.504 23.368 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 27.923 -15.191 22.581 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 28.605 -14.494 22.667 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 27.331 -14.857 21.875 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 23.935 -18.222 20.520 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 23.939 -19.212 20.535 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 23.956 -17.967 21.468 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 29.840 -13.189 22.539 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 30.648 -13.691 22.714 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 29.775 -13.163 21.557 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 26.958 -35.689 20.775 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 26.199 -35.991 21.335 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 26.824 -34.735 20.698 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 22.349 -31.726 16.111 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 22.267 -32.312 16.895 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 23.290 -31.832 15.833 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 26.620 -34.388 16.213 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 26.799 -34.976 16.974 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 26.747 -34.953 15.446 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 19.074 -33.583 11.994 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 19.837 -33.749 11.409 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 19.470 -33.187 12.788 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 22.692 -30.184 10.725 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 22.455 -29.672 11.525 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 21.886 -30.123 10.160 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 29.522 -18.640 17.652 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 30.336 -18.169 17.408 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 29.738 -19.052 18.516 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 18.970 -19.227 11.550 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 17.995 -19.263 11.763 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 19.240 -20.156 11.540 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 28.176 -35.615 26.769 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 28.142 -36.236 27.517 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 27.537 -35.986 26.119 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 20.735 -26.493 37.874 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 20.373 -26.597 38.767 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 20.890 -27.416 37.567 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 18.514 -29.462 35.767 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 18.446 -30.372 36.136 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 18.339 -29.582 34.806 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 20.466 -31.645 32.913 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 19.612 -31.933 33.306 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 20.307 -30.717 32.661 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 18.531 -32.013 36.704 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 18.301 -32.827 37.206 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 18.353 -32.252 35.760 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.729 -30.840 37.274 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.910 -30.350 37.075 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 26.933 -30.606 38.207 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 22.891 -27.412 40.999 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 21.999 -27.264 41.375 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 23.022 -26.651 40.393 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.493 -34.702 37.103 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 20.942 -34.639 36.284 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 21.093 -35.440 37.603 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 19.406 -24.880 40.487 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 19.353 -24.178 41.175 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.470 -25.060 40.258 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 17.981 -20.818 30.875 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.391 -21.638 31.180 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 17.371 -20.569 31.598 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 23.527 -31.250 38.719 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 23.876 -30.787 37.931 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 22.628 -31.532 38.448 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.791 -26.296 30.798 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.770 -26.198 29.812 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 26.089 -25.436 31.111 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 23.194 -30.269 30.824 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 23.177 -30.372 31.795 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 23.119 -29.302 30.687 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 19.998 -28.868 32.485 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 19.814 -28.340 31.695 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 19.127 -29.296 32.699 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 24.170 -30.014 36.302 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 23.628 -29.258 36.026 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 24.069 -30.653 35.581 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.286 -26.998 41.892 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 19.417 -27.395 42.102 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.059 -26.183 41.389 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 13.605 -28.959 31.858 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 14.103 -28.599 31.092 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 14.187 -28.803 32.609 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 15.926 -28.072 39.636 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 16.305 -28.080 38.726 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 15.007 -28.377 39.513 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 17.751 -24.235 34.813 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 16.778 -24.325 34.871 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 17.887 -23.333 34.458 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 20.422 -16.385 34.438 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.036 -17.289 34.393 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.261 -16.453 33.925 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 18.952 -23.143 42.526 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 19.293 -23.209 43.442 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 18.140 -22.632 42.611 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 24.895 -31.410 41.046 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.802 -32.333 41.366 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 24.367 -31.389 40.209 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.851 -33.572 31.611 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 25.655 -34.046 31.310 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 25.201 -32.792 32.093 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.105 -31.963 37.635 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 21.387 -32.879 37.424 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 20.165 -31.934 37.353 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 20.161 -34.513 34.771 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 19.403 -34.014 34.435 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 20.207 -35.303 34.188 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 26.120 -28.545 32.467 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 26.370 -28.058 33.258 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 26.042 -27.857 31.776 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.035 -30.882 33.529 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 22.699 -30.017 33.865 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 22.225 -31.441 33.462 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 19.823 -23.520 45.143 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 20.612 -24.084 45.343 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 19.915 -22.770 45.740 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 27.685 -33.206 36.468 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.262 -32.343 36.712 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 28.570 -33.145 36.841 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 25.485 -25.960 28.126 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 25.033 -26.770 27.826 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 25.437 -25.358 27.353 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 25.967 -35.384 36.814 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 26.308 -35.717 37.674 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 26.493 -34.572 36.649 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.937 -28.654 34.543 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 21.215 -28.542 33.888 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 21.482 -28.640 35.406 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 26.376 -30.575 43.833 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.051 -29.763 43.405 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 25.934 -31.284 43.355 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 23.086 -19.848 37.518 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 22.946 -18.886 37.409 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 23.890 -19.911 38.031 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 26.133 -21.723 26.120 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 25.846 -22.658 26.089 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.578 -21.325 26.824 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 24.712 -20.518 28.143 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 24.171 -21.063 28.724 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 25.167 -19.889 28.758 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 21.659 -25.382 31.217 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 21.542 -25.215 32.158 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 20.998 -24.800 30.787 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 27.156 -33.460 33.754 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 27.326 -33.344 34.710 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 26.724 -32.625 33.485 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 25.672 -31.257 32.929 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 25.992 -30.359 32.690 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.741 -31.110 33.208 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 27.298 -30.576 39.951 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 27.744 -30.124 40.673 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 26.489 -30.943 40.360 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 23.535 -35.570 35.370 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 22.859 -35.216 35.986 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 24.385 -35.404 35.830 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 22.660 -16.203 32.863 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 23.348 -16.861 32.637 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 23.146 -15.356 32.915 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 19.258 -23.177 27.460 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 18.771 -23.618 26.735 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 19.771 -22.493 27.018 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 18.745 -18.639 29.443 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 18.452 -19.483 29.868 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 18.853 -18.868 28.513 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 18.751 -26.178 44.603 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 18.286 -26.201 43.750 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 19.001 -25.245 44.716 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 21.834 -27.327 44.147 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 21.207 -27.012 43.462 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 21.831 -28.301 44.035 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 23.264 -27.484 30.498 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 24.097 -27.048 30.768 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.570 -26.811 30.697 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 19.304 -28.757 45.254 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 19.248 -27.800 45.023 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 19.021 -28.793 46.194 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.159 -28.477 28.134 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.755 -29.174 28.443 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.779 -28.101 28.960 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 21.924 -29.733 42.811 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 22.263 -29.246 42.043 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 22.004 -30.669 42.555 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 21.722 -32.509 42.389 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 22.257 -32.702 43.196 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 21.878 -33.278 41.809 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.569 -27.267 44.178 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.788 -27.813 43.392 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.588 -27.292 44.220 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.330 -34.895 40.750 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.544 -35.855 40.792 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.074 -34.754 39.824 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 24.974 -28.873 42.030 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 24.329 -28.322 41.531 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 24.911 -29.756 41.608 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 25.608 -36.250 41.304 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 24.795 -36.788 41.357 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 25.357 -35.396 41.712 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 24.474 -33.905 42.162 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 24.139 -33.633 43.042 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 23.680 -34.239 41.693 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.725 -18.670 29.814 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 25.365 -18.504 30.710 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 26.038 -17.806 29.524 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 19.550 -24.023 30.072 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 19.495 -23.593 29.191 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 19.067 -24.848 29.961 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 17.586 -21.476 34.333 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 17.008 -21.543 35.119 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 17.144 -20.802 33.768 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 20.868 -29.121 37.065 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.127 -30.018 37.356 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 19.991 -29.253 36.636 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 18.344 -25.352 37.179 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 19.291 -25.605 37.257 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 18.261 -25.001 36.254 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 22.685 -25.190 39.356 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 22.113 -25.575 38.664 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.379 -24.281 39.437 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 23.135 -35.421 32.662 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 23.773 -34.751 32.342 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.161 -35.325 33.640 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.564 -34.633 46.233 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.494 -34.880 46.295 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.079 -35.490 46.356 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 20.657 -29.368 50.753 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 20.828 -29.252 49.794 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 21.528 -29.517 51.127 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 17.226 -27.553 49.378 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 17.145 -26.706 49.827 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 17.439 -28.192 50.109 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 23.360 -32.848 44.527 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 23.783 -33.466 45.169 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 23.153 -32.052 45.065 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 22.787 -30.834 46.423 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 23.139 -31.440 47.118 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 23.441 -30.101 46.391 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 26.472 -30.665 46.595 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 26.613 -30.739 45.628 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 25.859 -29.906 46.687 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 22.762 -26.980 47.630 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 22.028 -27.600 47.808 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.353 -26.261 47.115 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 21.159 -29.240 48.084 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 20.216 -29.432 47.898 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 21.649 -29.832 47.478 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.407 -32.137 48.867 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 27.182 -31.831 49.340 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 26.436 -31.644 48.011 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 21.988 -25.077 45.648 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 22.780 -24.689 45.213 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 21.864 -25.938 45.187 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 24.085 -24.588 43.934 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 24.431 -24.360 43.069 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.423 -25.494 44.098 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 24.556 -28.706 46.508 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 24.750 -28.171 45.709 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.054 -28.090 47.090 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 18.451 -29.404 47.720 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 18.107 -30.262 48.059 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 18.095 -28.741 48.348 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 17.838 -34.243 48.022 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 18.608 -34.534 48.565 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 17.352 -35.075 47.837 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 20.200 -35.207 48.981 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 20.470 -35.713 48.187 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 20.973 -35.231 49.551 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 23.847 -32.683 48.070 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 24.053 -33.459 47.512 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 24.687 -32.501 48.544 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 24.683 -8.859 -0.314 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 25.214 -8.892 -1.117 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 24.969 -9.647 0.196 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 21.627 -9.415 4.701 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 21.853 -8.702 5.333 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 21.046 -8.971 4.033 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.623 -1.474 0.294 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 23.708 -1.497 -0.663 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 23.691 -2.416 0.565 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 18.797 -6.109 1.869 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 18.184 -5.871 1.163 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 18.679 -5.396 2.543 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 24.982 -6.583 1.374 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 24.761 -7.329 0.781 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 24.444 -6.743 2.174 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 29.223 -12.003 5.705 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 30.141 -12.119 5.437 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 28.728 -12.655 5.149 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 20.203 -8.349 2.659 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 20.743 -8.464 1.852 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.624 -7.589 2.448 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 20.554 -15.507 2.618 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 19.600 -15.424 2.808 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 20.761 -14.706 2.091 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 23.085 -4.899 7.753 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 23.766 -4.769 8.443 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 23.530 -4.609 6.924 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 22.154 -8.251 0.698 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 22.633 -8.666 1.448 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 22.745 -8.391 -0.063 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 29.587 -8.129 3.968 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 30.262 -7.538 3.623 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 28.788 -7.915 3.443 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.775 -4.064 1.224 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.906 -4.532 1.175 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 24.434 -4.786 1.160 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 24.047 -6.864 4.047 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 24.585 -6.125 4.370 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 23.327 -6.937 4.706 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.817 -6.112 6.189 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 19.716 -5.845 7.130 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 20.140 -5.300 5.743 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 28.783 -3.089 4.144 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 29.446 -2.406 4.014 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 28.752 -3.215 5.118 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 31.228 -9.116 8.102 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 31.099 -9.866 8.717 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 32.069 -9.299 7.675 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.878 -15.471 4.618 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.250 -16.083 4.181 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.911 -15.782 5.528 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.222 -9.467 5.900 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 28.630 -10.359 5.895 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 28.771 -8.950 5.263 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.550 -9.235 2.813 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 23.938 -8.456 3.271 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 22.912 -9.595 3.463 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 20.958 -13.043 1.469 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.927 -13.010 1.314 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 20.829 -12.495 2.273 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.370 -9.911 3.944 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.945 -9.889 4.733 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.540 -9.052 3.507 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 25.268 -10.864 1.529 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 26.033 -10.889 2.132 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 24.611 -10.304 2.007 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 23.743 -13.122 1.418 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 24.315 -12.323 1.351 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 24.180 -13.774 0.857 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 21.536 -5.613 1.243 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 21.764 -6.525 0.972 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.597 -5.668 1.492 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 27.074 -5.169 4.624 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 27.583 -4.484 4.134 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 27.475 -5.166 5.510 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 23.381 -2.838 3.644 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 23.477 -1.889 3.435 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 23.517 -3.286 2.779 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 24.595 -4.320 5.551 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 24.170 -3.768 4.853 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 25.497 -4.487 5.208 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 22.307 -7.157 6.234 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 22.716 -6.491 6.826 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 21.357 -6.898 6.210 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 28.067 -13.901 4.145 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 28.420 -14.311 3.349 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 27.229 -14.387 4.313 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 17.977 -17.628 2.037 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 18.729 -18.176 2.335 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 17.376 -18.268 1.615 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 27.783 -5.507 8.693 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 27.551 -5.660 9.619 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 28.183 -6.359 8.405 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 27.114 -7.396 2.969 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 26.530 -7.084 2.249 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 27.099 -6.661 3.621 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 23.629 -13.004 4.260 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 23.271 -13.887 4.511 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 23.770 -13.072 3.294 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 28.733 -8.040 8.171 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.447 -8.516 7.358 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 29.698 -8.239 8.233 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 30.694 -11.264 9.779 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 30.012 -11.386 10.472 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 31.450 -11.770 10.101 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.392 -15.412 4.649 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 21.705 -15.503 3.950 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 22.982 -16.178 4.506 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 28.371 -11.873 8.329 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 28.512 -11.981 7.366 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 29.248 -11.608 8.667 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 28.348 -12.154 11.096 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 28.111 -12.238 10.148 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 27.986 -12.973 11.506 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 20.631 -15.547 6.815 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 20.288 -16.462 6.722 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 21.256 -15.448 6.067 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.062 -12.688 11.256 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 24.516 -12.669 12.062 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 25.807 -13.279 11.491 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 17.152 -6.620 4.514 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 17.426 -7.092 3.720 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 17.658 -5.781 4.479 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 17.829 -14.910 2.388 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 17.769 -15.895 2.327 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 18.144 -14.633 1.495 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 18.378 -13.957 7.226 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 19.232 -14.392 7.018 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 17.741 -14.681 7.246 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 21.034 -3.847 5.059 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 21.020 -2.961 5.473 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.803 -3.813 4.459 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 28.431 -3.665 6.782 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 28.322 -4.358 7.468 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 28.424 -2.824 7.292 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.759 -1.408 6.255 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 21.368 -0.704 5.953 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.990 -1.336 5.636 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.064 1.523 4.337 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 18.303 1.930 4.788 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.393 2.233 3.743 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 23.675 -0.155 2.647 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.498 -0.565 1.765 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 24.430 0.421 2.487 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 21.049 -12.005 4.016 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 21.897 -12.420 4.271 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.140 -11.076 4.315 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 21.536 -14.890 9.361 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 21.236 -15.150 8.465 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 21.856 -15.714 9.756 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.709 -12.024 19.843 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 25.123 -11.156 20.047 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 24.419 -11.938 18.919 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 19.350 -2.528 21.818 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 18.793 -2.120 22.490 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 20.073 -2.946 22.328 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 21.239 -8.818 17.658 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 21.845 -8.289 18.214 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 20.888 -9.499 18.275 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 30.117 -9.529 21.527 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 29.877 -9.934 20.656 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 30.916 -9.000 21.333 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 20.981 -8.107 15.026 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 20.125 -7.666 15.079 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 21.122 -8.467 15.937 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 21.041 -3.441 12.904 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 20.086 -3.304 13.084 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 21.424 -3.636 13.781 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 24.759 -9.175 17.912 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.073 -8.629 18.351 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 24.268 -9.953 17.574 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 29.404 -4.971 20.199 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 29.898 -4.509 19.492 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 29.816 -4.655 21.025 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 23.818 -10.435 14.340 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 23.866 -10.501 15.308 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 23.943 -11.356 14.032 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 22.951 -7.772 19.559 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 22.157 -7.801 20.144 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 23.642 -7.353 20.123 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 27.533 -11.031 13.546 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 27.940 -11.414 12.744 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 27.463 -10.092 13.350 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 23.534 -3.165 25.286 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 23.836 -2.266 25.451 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.625 -3.185 25.657 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 21.922 -9.364 12.690 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.675 -9.777 13.170 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.401 -8.936 13.398 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 15.264 -7.064 20.830 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 15.794 -7.012 21.656 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 15.095 -6.146 20.602 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 19.161 -1.265 19.308 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 19.988 -0.782 19.399 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 19.105 -1.800 20.125 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 27.915 -5.034 23.951 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 26.998 -4.920 24.296 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 28.263 -5.805 24.451 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 26.320 -1.165 11.294 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 26.316 -1.889 10.654 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 26.898 -0.488 10.886 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 18.049 -0.505 13.924 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 18.866 -0.237 13.440 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 18.353 -0.638 14.852 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 21.124 -3.937 23.500 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 20.973 -3.689 24.441 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.082 -4.073 23.444 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 25.998 -19.262 23.991 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.842 -19.494 24.446 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.402 -20.002 24.204 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 32.275 -7.885 21.156 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 32.283 -7.449 20.293 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 33.194 -8.139 21.304 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 27.036 -8.764 10.190 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 27.656 -8.472 9.485 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 27.185 -9.714 10.256 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 23.938 -13.139 13.787 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.378 -13.322 14.577 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 23.918 -13.993 13.281 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.656 -15.738 15.088 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.487 -16.217 15.928 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 20.731 -16.449 14.418 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 27.153 -10.743 17.511 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 26.438 -10.085 17.463 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 26.928 -11.392 16.823 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 27.671 -8.438 22.034 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 27.636 -7.472 21.864 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 28.621 -8.667 21.930 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 25.889 -9.650 20.364 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 26.644 -9.092 20.632 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.661 -9.329 19.466 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 24.045 -14.667 18.133 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 23.430 -14.480 18.876 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 24.729 -15.240 18.531 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.613 -13.892 15.994 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.129 -14.354 16.699 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 21.957 -14.557 15.699 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 23.272 -9.352 22.643 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 22.962 -8.767 23.374 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 23.335 -8.759 21.877 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 26.505 -13.916 20.584 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 25.848 -13.229 20.316 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.154 -14.747 20.190 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 29.293 -10.689 19.235 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 28.569 -10.595 18.579 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 29.351 -11.653 19.387 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 22.379 -4.262 15.163 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 22.719 -5.092 14.756 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 22.348 -4.456 16.107 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 27.082 -14.322 12.298 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 27.043 -15.210 11.866 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 27.170 -14.527 13.245 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.137 -12.472 15.386 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 25.446 -12.816 14.782 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 26.728 -11.943 14.794 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 26.131 -5.622 13.483 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 26.557 -5.743 14.336 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 25.859 -4.671 13.483 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 30.191 -4.185 22.748 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 29.342 -4.391 23.206 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 30.468 -3.346 23.131 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.523 -1.793 15.061 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 23.172 -2.703 14.951 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.871 -1.361 15.657 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 23.119 -6.629 14.021 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 22.412 -7.231 14.338 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 23.926 -7.157 14.082 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 27.123 -5.818 21.417 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 27.346 -5.397 22.272 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 27.834 -5.508 20.806 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 21.412 -0.668 16.412 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 20.461 -0.839 16.536 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 21.437 0.109 15.819 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 24.582 -6.848 21.526 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 25.494 -6.509 21.371 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.376 -6.561 22.423 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.251 -1.037 26.417 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.361 -1.121 27.393 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.069 -0.102 26.279 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 23.514 -2.536 10.503 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 24.212 -2.943 9.953 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 23.340 -3.202 11.194 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 23.314 -5.326 11.555 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 23.223 -5.609 12.486 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 24.126 -5.770 11.250 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 29.336 -10.855 23.793 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 29.639 -10.195 23.136 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 29.529 -11.719 23.366 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 26.924 -15.238 15.238 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 26.746 -14.315 15.493 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.197 -15.669 16.073 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 25.526 -2.957 13.537 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 25.753 -2.302 12.852 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 24.872 -2.499 14.101 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 24.014 -11.651 16.978 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 24.850 -12.030 16.630 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 23.341 -12.331 16.767 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 25.580 -17.187 13.832 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 25.169 -17.736 14.538 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 26.111 -16.525 14.327 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 24.271 0.695 11.548 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 24.906 -0.043 11.422 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.227 0.803 12.522 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 18.327 -3.139 13.074 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 17.474 -3.611 13.159 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 18.116 -2.221 13.332 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 19.684 -1.679 28.988 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 19.773 -1.454 29.933 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 20.055 -2.582 28.920 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 25.321 -4.215 9.256 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 25.437 -4.947 9.901 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 26.124 -4.256 8.708 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 17.741 -4.036 27.330 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 17.496 -4.030 28.279 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 17.930 -3.111 27.130 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 25.831 -6.363 10.902 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 26.048 -6.181 11.850 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 26.204 -7.259 10.738 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 30.947 -3.537 18.340 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 30.689 -2.637 18.118 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 31.572 -3.783 17.651 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 27.522 -7.373 28.831 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 28.298 -6.909 29.165 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 27.896 -8.121 28.304 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 28.813 -7.335 25.121 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 29.182 -7.881 25.836 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 29.539 -7.292 24.450 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 30.694 -6.873 23.243 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 30.664 -5.921 23.029 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 31.237 -7.261 22.530 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 23.488 -20.750 23.065 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 23.522 -20.946 22.103 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 23.468 -21.632 23.483 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 31.190 -14.644 24.841 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 31.757 -15.392 25.057 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 31.620 -13.889 25.260 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 28.843 -11.875 26.255 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 28.639 -12.807 26.025 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 29.068 -11.461 25.392 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 21.758 -18.352 23.386 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 22.659 -17.979 23.304 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 21.901 -19.312 23.360 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 23.754 -18.128 27.060 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 23.984 -19.029 27.364 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 24.524 -17.846 26.557 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 27.557 0.760 9.621 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 28.137 1.555 9.663 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 26.684 1.117 9.337 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 13.620 0.287 12.382 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 13.334 0.941 13.066 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 14.572 0.510 12.222 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 18.601 -0.617 16.670 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 18.633 -1.006 17.574 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 18.188 0.260 16.803 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 19.344 -5.641 22.283 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.130 -4.998 21.592 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 19.975 -5.162 22.864 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.428 -5.126 24.994 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 24.740 -4.429 25.071 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 25.356 -5.626 25.834 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 20.934 -3.162 26.099 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 20.888 -3.568 26.992 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 20.308 -2.403 26.148 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 25.687 -16.295 19.573 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 25.229 -17.104 19.892 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 26.370 -16.631 18.951 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 29.176 -13.373 19.911 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 28.206 -13.453 20.023 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 29.461 -14.274 19.638 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 26.886 -16.916 11.484 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.409 -17.147 12.312 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 26.955 -17.747 11.012 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.542 -1.495 8.434 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.382 -1.506 8.904 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 28.104 -0.673 8.747 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 21.234 -15.909 24.544 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 21.367 -16.773 24.089 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 20.810 -15.344 23.864 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 20.502 -8.643 26.135 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 20.947 -9.495 26.352 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 19.660 -8.920 25.716 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 18.489 -11.832 33.575 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 18.704 -12.784 33.638 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 18.055 -11.636 34.433 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 23.888 -13.681 33.100 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 23.722 -12.904 32.521 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 23.765 -13.339 33.994 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 16.963 -12.013 35.867 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 16.205 -11.403 35.732 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 16.544 -12.877 36.061 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 19.246 -13.207 37.050 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 18.568 -12.746 36.520 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 18.948 -13.099 37.957 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 16.589 -6.666 29.750 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 16.659 -5.689 29.791 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 16.290 -6.844 28.849 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 28.352 -9.367 27.185 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 27.605 -9.284 26.564 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 28.666 -10.292 27.056 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 20.243 -8.562 30.663 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 19.486 -8.169 31.150 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 20.059 -9.533 30.685 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 20.786 -15.537 37.000 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 20.336 -14.666 37.058 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 20.705 -15.785 36.055 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 28.464 -14.387 25.232 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 28.053 -14.903 24.518 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 29.426 -14.507 25.090 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 23.764 -11.580 31.337 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 23.620 -11.892 30.436 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 24.739 -11.450 31.393 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 23.280 -7.216 28.862 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 22.344 -7.045 28.634 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 23.231 -7.849 29.610 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 16.635 -14.412 32.271 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 17.227 -14.447 33.058 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 16.121 -15.237 32.327 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 26.761 -13.539 30.094 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 27.294 -13.407 29.303 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 26.706 -12.649 30.500 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 19.498 -11.120 31.106 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 18.900 -11.712 30.602 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 19.311 -11.336 32.041 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 26.459 -11.170 31.432 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 26.337 -10.237 31.118 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 27.138 -11.102 32.111 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 21.266 -5.361 31.228 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 21.042 -6.230 30.858 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 22.052 -5.528 31.763 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.803 -7.799 24.845 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 21.956 -7.984 25.303 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.351 -7.384 25.520 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 20.814 -4.228 28.664 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 20.571 -5.129 28.363 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 21.160 -4.369 29.563 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 18.046 -7.494 31.859 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 17.499 -7.264 31.067 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 18.050 -6.686 32.385 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 25.809 -15.294 31.920 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 26.258 -14.762 31.224 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 25.222 -14.654 32.366 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 19.175 -3.590 31.652 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 19.937 -4.201 31.602 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 19.577 -2.718 31.833 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 18.282 -16.908 36.773 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 19.159 -16.765 37.166 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 18.426 -17.604 36.112 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 26.389 -8.528 25.344 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 27.186 -8.001 25.101 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 25.870 -7.922 25.915 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 25.341 -6.785 27.182 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 24.568 -6.896 27.787 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 26.120 -6.874 27.775 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 22.960 -8.844 31.027 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 23.187 -9.752 31.311 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 21.980 -8.826 31.043 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 25.930 -8.672 30.684 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 26.407 -8.136 30.017 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 25.048 -8.273 30.726 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 17.031 -3.951 30.035 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 16.417 -3.270 30.335 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 17.826 -3.828 30.610 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 18.421 -14.535 34.262 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 17.858 -14.593 35.068 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 19.160 -15.157 34.444 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 23.002 -17.064 37.587 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 22.172 -16.574 37.402 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.540 -16.439 38.077 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 24.912 -17.787 32.299 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 25.366 -18.126 33.078 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 25.336 -16.909 32.136 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 19.769 3.796 3.037 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 20.115 4.540 2.499 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 18.817 3.745 2.782 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 23.979 0.658 6.462 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 23.230 0.701 5.821 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 24.679 1.175 6.044 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 19.911 4.317 5.760 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 20.591 3.736 6.130 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 19.973 4.171 4.789 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 23.637 -1.932 7.327 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 24.386 -2.413 6.952 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 23.771 -1.009 7.031 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 24.992 1.457 8.967 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 24.458 0.999 8.293 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 24.570 1.218 9.816 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 17.666 5.864 5.532 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 18.487 5.337 5.647 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 17.007 5.402 6.080 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 17.096 3.899 2.769 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 16.759 3.645 3.649 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 16.990 4.868 2.740 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 21.791 -0.157 10.001 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 22.001 0.793 10.124 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 22.572 -0.624 10.365 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 22.075 3.116 7.940 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 22.169 2.799 8.864 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 22.972 3.095 7.592 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 19.380 2.732 14.979 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 20.240 2.265 14.952 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 19.170 2.893 14.037 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 20.794 4.820 11.151 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 20.387 4.843 10.251 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 20.903 5.749 11.385 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 24.209 0.718 14.275 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 24.068 -0.230 14.506 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 24.817 1.038 14.951 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 22.268 2.495 10.592 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 21.853 3.302 10.965 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 23.003 2.297 11.202 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 19.820 4.532 8.624 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 20.594 3.961 8.434 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 19.518 4.814 7.746 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 19.222 2.876 12.240 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 18.432 2.942 11.659 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 19.795 3.617 11.947 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 21.530 1.175 14.399 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 22.497 1.130 14.249 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 21.142 0.736 13.611 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 20.086 0.297 12.260 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 20.524 0.055 11.422 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 19.810 1.233 12.127 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 29.213 2.968 9.657 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 29.784 3.207 10.394 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 29.319 3.689 9.029 1.00 0.00 WAT1 END