REMARK original generated coordinate pdb file ATOM 1 N ALA P 1 2.062 -13.995 21.747 1.00 0.00 PROT N ATOM 2 HT1 ALA P 1 2.219 -14.511 22.589 1.00 0.00 PROT H ATOM 3 HT2 ALA P 1 2.918 -13.906 21.237 1.00 0.00 PROT H ATOM 4 HT3 ALA P 1 1.377 -14.460 21.185 1.00 0.00 PROT H ATOM 5 CA ALA P 1 1.567 -12.651 22.093 1.00 0.00 PROT C ATOM 6 HA ALA P 1 0.612 -12.695 22.605 1.00 0.00 PROT H ATOM 7 CB ALA P 1 2.581 -12.013 23.040 1.00 0.00 PROT C ATOM 8 HB1 ALA P 1 2.656 -12.618 23.969 1.00 0.00 PROT H ATOM 9 HB2 ALA P 1 3.591 -11.973 22.576 1.00 0.00 PROT H ATOM 10 HB3 ALA P 1 2.282 -10.981 23.325 1.00 0.00 PROT H ATOM 11 C ALA P 1 1.330 -11.872 20.809 1.00 0.00 PROT C ATOM 12 O ALA P 1 0.128 -11.637 20.531 1.00 0.00 PROT O ATOM 13 N GLN P 2 2.420 -11.533 20.101 1.00 0.00 PROT N ATOM 14 HN GLN P 2 3.370 -11.729 20.339 1.00 0.00 PROT H ATOM 15 CA GLN P 2 2.247 -10.793 18.832 1.00 0.00 PROT C ATOM 16 HA GLN P 2 1.216 -10.473 18.746 1.00 0.00 PROT H ATOM 17 CB GLN P 2 3.074 -9.532 18.703 1.00 0.00 PROT C ATOM 18 HB1 GLN P 2 2.712 -8.828 19.488 1.00 0.00 PROT H ATOM 19 HB2 GLN P 2 4.135 -9.759 18.955 1.00 0.00 PROT H ATOM 20 CG GLN P 2 3.094 -8.735 17.411 1.00 0.00 PROT C ATOM 21 HG1 GLN P 2 3.656 -9.285 16.625 1.00 0.00 PROT H ATOM 22 HG2 GLN P 2 2.063 -8.566 17.037 1.00 0.00 PROT H ATOM 23 CD GLN P 2 3.766 -7.402 17.531 1.00 0.00 PROT C ATOM 24 OE1 GLN P 2 3.228 -6.289 17.553 1.00 0.00 PROT O ATOM 25 NE2 GLN P 2 5.085 -7.400 17.655 1.00 0.00 PROT N ATOM 26 HE21 GLN P 2 5.528 -6.512 17.739 1.00 0.00 PROT H ATOM 27 HE22 GLN P 2 5.584 -8.260 17.644 1.00 0.00 PROT H ATOM 28 C GLN P 2 2.513 -11.787 17.713 1.00 0.00 PROT C ATOM 29 O GLN P 2 3.378 -12.644 17.913 1.00 0.00 PROT O ATOM 30 N THR P 3 1.795 -11.681 16.620 1.00 0.00 PROT N ATOM 31 HN THR P 3 1.075 -10.999 16.494 1.00 0.00 PROT H ATOM 32 CA THR P 3 1.992 -12.573 15.465 1.00 0.00 PROT C ATOM 33 HA THR P 3 2.718 -13.322 15.751 1.00 0.00 PROT H ATOM 34 CB THR P 3 0.672 -13.169 14.995 1.00 0.00 PROT C ATOM 35 HB THR P 3 0.002 -12.303 14.774 1.00 0.00 PROT H ATOM 36 OG1 THR P 3 0.106 -13.912 16.061 1.00 0.00 PROT O ATOM 37 HG1 THR P 3 -0.715 -14.276 15.713 1.00 0.00 PROT H ATOM 38 CG2 THR P 3 0.913 -14.059 13.791 1.00 0.00 PROT C ATOM 39 HG21 THR P 3 -0.048 -14.413 13.363 1.00 0.00 PROT H ATOM 40 HG22 THR P 3 1.455 -13.500 12.998 1.00 0.00 PROT H ATOM 41 HG23 THR P 3 1.520 -14.948 14.066 1.00 0.00 PROT H ATOM 42 C THR P 3 2.640 -11.740 14.353 1.00 0.00 PROT C ATOM 43 O THR P 3 2.413 -10.521 14.311 1.00 0.00 PROT O ATOM 44 N VAL P 4 3.413 -12.409 13.530 1.00 0.00 PROT N ATOM 45 HN VAL P 4 3.558 -13.393 13.592 1.00 0.00 PROT H ATOM 46 CA VAL P 4 4.146 -11.751 12.425 1.00 0.00 PROT C ATOM 47 HA VAL P 4 3.868 -10.705 12.402 1.00 0.00 PROT H ATOM 48 CB VAL P 4 5.639 -11.834 12.779 1.00 0.00 PROT C ATOM 49 HB VAL P 4 5.932 -12.913 12.757 1.00 0.00 PROT H ATOM 50 CG1 VAL P 4 6.518 -11.084 11.793 1.00 0.00 PROT C ATOM 51 HG11 VAL P 4 7.583 -11.137 12.108 1.00 0.00 PROT H ATOM 52 HG12 VAL P 4 6.453 -11.518 10.774 1.00 0.00 PROT H ATOM 53 HG13 VAL P 4 6.227 -10.013 11.744 1.00 0.00 PROT H ATOM 54 CG2 VAL P 4 5.997 -11.389 14.205 1.00 0.00 PROT C ATOM 55 HG21 VAL P 4 7.094 -11.441 14.369 1.00 0.00 PROT H ATOM 56 HG22 VAL P 4 5.666 -10.343 14.382 1.00 0.00 PROT H ATOM 57 HG23 VAL P 4 5.514 -12.041 14.962 1.00 0.00 PROT H ATOM 58 C VAL P 4 3.696 -12.376 11.100 1.00 0.00 PROT C ATOM 59 O VAL P 4 4.119 -13.442 10.608 1.00 0.00 PROT O ATOM 60 N PRO P 5 2.742 -11.710 10.479 1.00 0.00 PROT N ATOM 61 CD PRO P 5 2.097 -10.423 10.927 1.00 0.00 PROT C ATOM 62 HD1 PRO P 5 2.176 -11.366 11.515 1.00 0.00 PROT H ATOM 63 HD2 PRO P 5 2.126 -9.538 11.604 1.00 0.00 PROT H ATOM 64 CA PRO P 5 2.176 -12.143 9.200 1.00 0.00 PROT C ATOM 65 HA PRO P 5 1.504 -12.989 9.285 1.00 0.00 PROT H ATOM 66 CB PRO P 5 1.289 -10.985 8.793 1.00 0.00 PROT C ATOM 67 HB1 PRO P 5 0.294 -11.102 9.278 1.00 0.00 PROT H ATOM 68 HB2 PRO P 5 1.148 -10.918 7.695 1.00 0.00 PROT H ATOM 69 CG PRO P 5 0.787 -10.419 10.108 1.00 0.00 PROT C ATOM 70 HG1 PRO P 5 -0.161 -9.856 10.002 1.00 0.00 PROT H ATOM 71 HG2 PRO P 5 0.206 -10.658 10.886 1.00 0.00 PROT H ATOM 72 C PRO P 5 3.361 -12.538 8.352 1.00 0.00 PROT C ATOM 73 O PRO P 5 4.368 -11.796 8.237 1.00 0.00 PROT O ATOM 74 N TYR P 6 3.218 -13.716 7.781 1.00 0.00 PROT N ATOM 75 HN TYR P 6 2.390 -14.265 7.888 1.00 0.00 PROT H ATOM 76 CA TYR P 6 4.256 -14.333 6.936 1.00 0.00 PROT C ATOM 77 HA TYR P 6 5.081 -14.580 7.593 1.00 0.00 PROT H ATOM 78 CB TYR P 6 3.721 -15.616 6.244 1.00 0.00 PROT C ATOM 79 HB1 TYR P 6 4.575 -16.290 6.015 1.00 0.00 PROT H ATOM 80 HB2 TYR P 6 3.037 -16.171 6.921 1.00 0.00 PROT H ATOM 81 CG TYR P 6 3.032 -15.246 4.940 1.00 0.00 PROT C ATOM 82 CD1 TYR P 6 3.764 -14.956 3.775 1.00 0.00 PROT C ATOM 83 HD1 TYR P 6 4.844 -14.996 3.795 1.00 0.00 PROT H ATOM 84 CE1 TYR P 6 3.111 -14.594 2.594 1.00 0.00 PROT C ATOM 85 HE1 TYR P 6 3.675 -14.380 1.698 1.00 0.00 PROT H ATOM 86 CZ TYR P 6 1.724 -14.503 2.582 1.00 0.00 PROT C ATOM 87 OH TYR P 6 1.041 -14.150 1.450 1.00 0.00 PROT O ATOM 88 HH TYR P 6 0.104 -14.220 1.645 1.00 0.00 PROT H ATOM 89 CD2 TYR P 6 1.642 -15.140 4.879 1.00 0.00 PROT C ATOM 90 HD2 TYR P 6 1.048 -15.299 5.769 1.00 0.00 PROT H ATOM 91 CE2 TYR P 6 0.993 -14.787 3.718 1.00 0.00 PROT C ATOM 92 HE2 TYR P 6 -0.084 -14.713 3.707 1.00 0.00 PROT H ATOM 93 C TYR P 6 4.784 -13.350 5.905 1.00 0.00 PROT C ATOM 94 O TYR P 6 5.778 -13.655 5.194 1.00 0.00 PROT O ATOM 95 N GLY P 7 4.148 -12.209 5.764 1.00 0.00 PROT N ATOM 96 HN GLY P 7 3.346 -11.944 6.297 1.00 0.00 PROT H ATOM 97 CA GLY P 7 4.602 -11.234 4.781 1.00 0.00 PROT C ATOM 98 HA1 GLY P 7 3.729 -10.640 4.547 1.00 0.00 PROT H ATOM 99 HA2 GLY P 7 4.979 -11.816 3.951 1.00 0.00 PROT H ATOM 100 C GLY P 7 5.699 -10.297 5.228 1.00 0.00 PROT C ATOM 101 O GLY P 7 6.393 -9.826 4.299 1.00 0.00 PROT O ATOM 102 N ILE P 8 5.873 -9.983 6.505 1.00 0.00 PROT N ATOM 103 HN ILE P 8 5.382 -10.339 7.297 1.00 0.00 PROT H ATOM 104 CA ILE P 8 6.934 -8.967 6.842 1.00 0.00 PROT C ATOM 105 HA ILE P 8 6.814 -8.144 6.149 1.00 0.00 PROT H ATOM 106 CB ILE P 8 6.672 -8.156 8.102 1.00 0.00 PROT C ATOM 107 HB ILE P 8 7.466 -7.367 8.097 1.00 0.00 PROT H ATOM 108 CG2 ILE P 8 5.249 -7.565 8.100 1.00 0.00 PROT C ATOM 109 HG21 ILE P 8 5.121 -6.852 8.941 1.00 0.00 PROT H ATOM 110 HG22 ILE P 8 5.051 -7.013 7.157 1.00 0.00 PROT H ATOM 111 HG23 ILE P 8 4.486 -8.365 8.205 1.00 0.00 PROT H ATOM 112 CG1 ILE P 8 6.888 -8.950 9.371 1.00 0.00 PROT C ATOM 113 HG11 ILE P 8 6.184 -8.600 10.159 1.00 0.00 PROT H ATOM 114 HG12 ILE P 8 6.653 -10.020 9.171 1.00 0.00 PROT H ATOM 115 CD ILE P 8 8.323 -8.857 9.894 1.00 0.00 PROT C ATOM 116 HD1 ILE P 8 8.449 -9.500 10.792 1.00 0.00 PROT H ATOM 117 HD2 ILE P 8 9.045 -9.195 9.120 1.00 0.00 PROT H ATOM 118 HD3 ILE P 8 8.576 -7.814 10.180 1.00 0.00 PROT H ATOM 119 C ILE P 8 8.298 -9.552 6.591 1.00 0.00 PROT C ATOM 120 O ILE P 8 9.160 -8.901 5.973 1.00 0.00 PROT O ATOM 121 N PRO P 9 8.505 -10.778 6.991 1.00 0.00 PROT N ATOM 122 CD PRO P 9 7.517 -11.632 7.734 1.00 0.00 PROT C ATOM 123 HD1 PRO P 9 7.498 -11.008 8.656 1.00 0.00 PROT H ATOM 124 HD2 PRO P 9 6.481 -11.829 7.375 1.00 0.00 PROT H ATOM 125 CA PRO P 9 9.745 -11.523 6.749 1.00 0.00 PROT C ATOM 126 HA PRO P 9 10.614 -10.966 7.078 1.00 0.00 PROT H ATOM 127 CB PRO P 9 9.673 -12.749 7.625 1.00 0.00 PROT C ATOM 128 HB1 PRO P 9 10.041 -12.490 8.643 1.00 0.00 PROT H ATOM 129 HB2 PRO P 9 10.273 -13.594 7.230 1.00 0.00 PROT H ATOM 130 CG PRO P 9 8.230 -12.946 8.010 1.00 0.00 PROT C ATOM 131 HG1 PRO P 9 8.108 -13.532 8.942 1.00 0.00 PROT H ATOM 132 HG2 PRO P 9 7.695 -13.458 7.177 1.00 0.00 PROT H ATOM 133 C PRO P 9 9.880 -11.825 5.255 1.00 0.00 PROT C ATOM 134 O PRO P 9 11.000 -11.697 4.723 1.00 0.00 PROT O ATOM 135 N LEU P 10 8.795 -12.180 4.571 1.00 0.00 PROT N ATOM 136 HN LEU P 10 7.880 -12.281 4.956 1.00 0.00 PROT H ATOM 137 CA LEU P 10 8.879 -12.460 3.133 1.00 0.00 PROT C ATOM 138 HA LEU P 10 9.485 -13.348 3.004 1.00 0.00 PROT H ATOM 139 CB LEU P 10 7.565 -12.736 2.438 1.00 0.00 PROT C ATOM 140 HB1 LEU P 10 6.877 -13.174 3.197 1.00 0.00 PROT H ATOM 141 HB2 LEU P 10 7.108 -11.769 2.130 1.00 0.00 PROT H ATOM 142 CG LEU P 10 7.516 -13.674 1.231 1.00 0.00 PROT C ATOM 143 HG LEU P 10 8.221 -13.200 0.505 1.00 0.00 PROT H ATOM 144 CD1 LEU P 10 8.003 -15.056 1.616 1.00 0.00 PROT C ATOM 145 HD11 LEU P 10 7.923 -15.752 0.753 1.00 0.00 PROT H ATOM 146 HD12 LEU P 10 9.066 -15.021 1.939 1.00 0.00 PROT H ATOM 147 HD13 LEU P 10 7.396 -15.468 2.451 1.00 0.00 PROT H ATOM 148 CD2 LEU P 10 6.163 -13.798 0.558 1.00 0.00 PROT C ATOM 149 HD21 LEU P 10 6.228 -14.482 -0.316 1.00 0.00 PROT H ATOM 150 HD22 LEU P 10 5.398 -14.206 1.249 1.00 0.00 PROT H ATOM 151 HD23 LEU P 10 5.816 -12.806 0.197 1.00 0.00 PROT H ATOM 152 C LEU P 10 9.608 -11.296 2.442 1.00 0.00 PROT C ATOM 153 O LEU P 10 10.559 -11.642 1.714 1.00 0.00 PROT O ATOM 154 N ILE P 11 9.189 -10.064 2.670 1.00 0.00 PROT N ATOM 155 HN ILE P 11 8.432 -9.807 3.268 1.00 0.00 PROT H ATOM 156 CA ILE P 11 9.853 -8.928 2.017 1.00 0.00 PROT C ATOM 157 HA ILE P 11 10.214 -9.324 1.077 1.00 0.00 PROT H ATOM 158 CB ILE P 11 8.954 -7.735 1.754 1.00 0.00 PROT C ATOM 159 HB ILE P 11 9.617 -6.992 1.242 1.00 0.00 PROT H ATOM 160 CG2 ILE P 11 7.730 -8.156 0.946 1.00 0.00 PROT C ATOM 161 HG21 ILE P 11 7.153 -7.266 0.619 1.00 0.00 PROT H ATOM 162 HG22 ILE P 11 8.030 -8.716 0.035 1.00 0.00 PROT H ATOM 163 HG23 ILE P 11 7.058 -8.802 1.550 1.00 0.00 PROT H ATOM 164 CG1 ILE P 11 8.506 -7.091 3.061 1.00 0.00 PROT C ATOM 165 HG11 ILE P 11 7.808 -7.773 3.597 1.00 0.00 PROT H ATOM 166 HG12 ILE P 11 9.396 -6.949 3.717 1.00 0.00 PROT H ATOM 167 CD ILE P 11 7.820 -5.726 2.952 1.00 0.00 PROT C ATOM 168 HD1 ILE P 11 7.590 -5.328 3.964 1.00 0.00 PROT H ATOM 169 HD2 ILE P 11 8.478 -4.997 2.432 1.00 0.00 PROT H ATOM 170 HD3 ILE P 11 6.866 -5.803 2.389 1.00 0.00 PROT H ATOM 171 C ILE P 11 11.076 -8.376 2.766 1.00 0.00 PROT C ATOM 172 O ILE P 11 11.585 -7.314 2.344 1.00 0.00 PROT O ATOM 173 N LYS P 12 11.501 -9.083 3.799 1.00 0.00 PROT N ATOM 174 HN LYS P 12 11.047 -9.929 4.076 1.00 0.00 PROT H ATOM 175 CA LYS P 12 12.641 -8.704 4.608 1.00 0.00 PROT C ATOM 176 HA LYS P 12 12.674 -9.387 5.448 1.00 0.00 PROT H ATOM 177 CB LYS P 12 13.964 -8.756 3.860 1.00 0.00 PROT C ATOM 178 HB1 LYS P 12 13.786 -8.324 2.848 1.00 0.00 PROT H ATOM 179 HB2 LYS P 12 14.692 -8.081 4.364 1.00 0.00 PROT H ATOM 180 CG LYS P 12 14.468 -10.189 3.755 1.00 0.00 PROT C ATOM 181 HG1 LYS P 12 14.989 -10.462 4.701 1.00 0.00 PROT H ATOM 182 HG2 LYS P 12 13.595 -10.873 3.647 1.00 0.00 PROT H ATOM 183 CD LYS P 12 15.433 -10.389 2.592 1.00 0.00 PROT C ATOM 184 HD1 LYS P 12 15.017 -9.872 1.697 1.00 0.00 PROT H ATOM 185 HD2 LYS P 12 16.395 -9.888 2.849 1.00 0.00 PROT H ATOM 186 CE LYS P 12 15.581 -11.905 2.404 1.00 0.00 PROT C ATOM 187 HE1 LYS P 12 15.795 -12.147 1.339 1.00 0.00 PROT H ATOM 188 HE2 LYS P 12 16.414 -12.297 3.028 1.00 0.00 PROT H ATOM 189 NZ LYS P 12 14.257 -12.469 2.838 1.00 0.00 PROT N ATOM 190 HZ1 LYS P 12 14.263 -13.505 2.743 1.00 0.00 PROT H ATOM 191 HZ2 LYS P 12 14.080 -12.214 3.831 1.00 0.00 PROT H ATOM 192 HZ3 LYS P 12 13.501 -12.073 2.243 1.00 0.00 PROT H ATOM 193 C LYS P 12 12.482 -7.288 5.175 1.00 0.00 PROT C ATOM 194 O LYS P 12 13.493 -6.569 5.260 1.00 0.00 PROT O ATOM 195 N ALA P 13 11.261 -6.977 5.567 1.00 0.00 PROT N ATOM 196 HN ALA P 13 10.504 -7.619 5.452 1.00 0.00 PROT H ATOM 197 CA ALA P 13 10.916 -5.712 6.182 1.00 0.00 PROT C ATOM 198 HA ALA P 13 11.318 -4.878 5.619 1.00 0.00 PROT H ATOM 199 CB ALA P 13 9.391 -5.701 6.360 1.00 0.00 PROT C ATOM 200 HB1 ALA P 13 8.899 -5.708 5.364 1.00 0.00 PROT H ATOM 201 HB2 ALA P 13 9.047 -6.600 6.917 1.00 0.00 PROT H ATOM 202 HB3 ALA P 13 9.049 -4.795 6.905 1.00 0.00 PROT H ATOM 203 C ALA P 13 11.542 -5.631 7.583 1.00 0.00 PROT C ATOM 204 O ALA P 13 12.063 -4.613 8.095 1.00 0.00 PROT O ATOM 205 N ASP P 14 11.440 -6.786 8.197 1.00 0.00 PROT N ATOM 206 HN ASP P 14 11.042 -7.583 7.751 1.00 0.00 PROT H ATOM 207 CA ASP P 14 11.878 -7.058 9.567 1.00 0.00 PROT C ATOM 208 HA ASP P 14 11.445 -6.276 10.180 1.00 0.00 PROT H ATOM 209 CB ASP P 14 11.240 -8.397 9.941 1.00 0.00 PROT C ATOM 210 HB1 ASP P 14 11.172 -8.473 11.045 1.00 0.00 PROT H ATOM 211 HB2 ASP P 14 10.217 -8.473 9.523 1.00 0.00 PROT H ATOM 212 CG ASP P 14 12.105 -9.522 9.420 1.00 0.00 PROT C ATOM 213 OD1 ASP P 14 12.734 -10.143 10.290 1.00 0.00 PROT O ATOM 214 OD2 ASP P 14 12.246 -9.759 8.204 1.00 0.00 PROT O ATOM 215 C ASP P 14 13.389 -6.974 9.750 1.00 0.00 PROT C ATOM 216 O ASP P 14 13.858 -6.964 10.901 1.00 0.00 PROT O ATOM 217 N LYS P 15 14.145 -6.921 8.676 1.00 0.00 PROT N ATOM 218 HN LYS P 15 13.760 -6.941 7.755 1.00 0.00 PROT H ATOM 219 CA LYS P 15 15.609 -6.829 8.738 1.00 0.00 PROT C ATOM 220 HA LYS P 15 15.918 -7.254 9.685 1.00 0.00 PROT H ATOM 221 CB LYS P 15 16.255 -7.617 7.592 1.00 0.00 PROT C ATOM 222 HB1 LYS P 15 15.620 -7.463 6.689 1.00 0.00 PROT H ATOM 223 HB2 LYS P 15 17.246 -7.168 7.357 1.00 0.00 PROT H ATOM 224 CG LYS P 15 16.354 -9.110 7.935 1.00 0.00 PROT C ATOM 225 HG1 LYS P 15 17.351 -9.315 8.388 1.00 0.00 PROT H ATOM 226 HG2 LYS P 15 15.584 -9.358 8.702 1.00 0.00 PROT H ATOM 227 CD LYS P 15 16.174 -9.960 6.686 1.00 0.00 PROT C ATOM 228 HD1 LYS P 15 15.083 -10.065 6.486 1.00 0.00 PROT H ATOM 229 HD2 LYS P 15 16.620 -9.410 5.825 1.00 0.00 PROT H ATOM 230 CE LYS P 15 16.837 -11.321 6.863 1.00 0.00 PROT C ATOM 231 HE1 LYS P 15 16.238 -11.960 7.549 1.00 0.00 PROT H ATOM 232 HE2 LYS P 15 16.927 -11.842 5.885 1.00 0.00 PROT H ATOM 233 NZ LYS P 15 18.207 -11.163 7.442 1.00 0.00 PROT N ATOM 234 HZ1 LYS P 15 18.653 -12.095 7.561 1.00 0.00 PROT H ATOM 235 HZ2 LYS P 15 18.788 -10.581 6.805 1.00 0.00 PROT H ATOM 236 HZ3 LYS P 15 18.139 -10.693 8.367 1.00 0.00 PROT H ATOM 237 C LYS P 15 16.065 -5.366 8.723 1.00 0.00 PROT C ATOM 238 O LYS P 15 17.234 -5.042 8.968 1.00 0.00 PROT O ATOM 239 N VAL P 16 15.151 -4.515 8.386 1.00 0.00 PROT N ATOM 240 HN VAL P 16 14.247 -4.868 8.158 1.00 0.00 PROT H ATOM 241 CA VAL P 16 15.272 -3.071 8.294 1.00 0.00 PROT C ATOM 242 HA VAL P 16 16.305 -2.809 8.104 1.00 0.00 PROT H ATOM 243 CB VAL P 16 14.392 -2.453 7.180 1.00 0.00 PROT C ATOM 244 HB VAL P 16 13.333 -2.745 7.386 1.00 0.00 PROT H ATOM 245 CG1 VAL P 16 14.487 -0.918 7.169 1.00 0.00 PROT C ATOM 246 HG11 VAL P 16 13.879 -0.500 6.338 1.00 0.00 PROT H ATOM 247 HG12 VAL P 16 14.104 -0.477 8.113 1.00 0.00 PROT H ATOM 248 HG13 VAL P 16 15.539 -0.591 7.024 1.00 0.00 PROT H ATOM 249 CG2 VAL P 16 14.748 -3.083 5.833 1.00 0.00 PROT C ATOM 250 HG21 VAL P 16 14.154 -2.623 5.015 1.00 0.00 PROT H ATOM 251 HG22 VAL P 16 15.826 -2.937 5.607 1.00 0.00 PROT H ATOM 252 HG23 VAL P 16 14.535 -4.172 5.830 1.00 0.00 PROT H ATOM 253 C VAL P 16 14.898 -2.503 9.674 1.00 0.00 PROT C ATOM 254 O VAL P 16 15.417 -1.485 10.107 1.00 0.00 PROT O ATOM 255 N GLN P 17 13.961 -3.229 10.232 1.00 0.00 PROT N ATOM 256 HN GLN P 17 13.580 -4.026 9.766 1.00 0.00 PROT H ATOM 257 CA GLN P 17 13.387 -2.967 11.548 1.00 0.00 PROT C ATOM 258 HA GLN P 17 13.050 -1.939 11.602 1.00 0.00 PROT H ATOM 259 CB GLN P 17 12.165 -3.852 11.739 1.00 0.00 PROT C ATOM 260 HB1 GLN P 17 12.423 -4.853 11.321 1.00 0.00 PROT H ATOM 261 HB2 GLN P 17 11.988 -4.007 12.828 1.00 0.00 PROT H ATOM 262 CG GLN P 17 10.905 -3.337 11.061 1.00 0.00 PROT C ATOM 263 HG1 GLN P 17 10.635 -2.334 11.455 1.00 0.00 PROT H ATOM 264 HG2 GLN P 17 11.059 -3.242 9.966 1.00 0.00 PROT H ATOM 265 CD GLN P 17 9.619 -4.108 11.206 1.00 0.00 PROT C ATOM 266 OE1 GLN P 17 9.342 -4.938 12.086 1.00 0.00 PROT O ATOM 267 NE2 GLN P 17 8.691 -3.870 10.261 1.00 0.00 PROT N ATOM 268 HE21 GLN P 17 7.831 -4.366 10.340 1.00 0.00 PROT H ATOM 269 HE22 GLN P 17 8.890 -3.236 9.521 1.00 0.00 PROT H ATOM 270 C GLN P 17 14.546 -3.121 12.521 1.00 0.00 PROT C ATOM 271 O GLN P 17 14.858 -2.206 13.294 1.00 0.00 PROT O ATOM 272 N ALA P 18 15.235 -4.244 12.415 1.00 0.00 PROT N ATOM 273 HN ALA P 18 14.959 -4.915 11.727 1.00 0.00 PROT H ATOM 274 CA ALA P 18 16.400 -4.618 13.229 1.00 0.00 PROT C ATOM 275 HA ALA P 18 16.127 -4.774 14.266 1.00 0.00 PROT H ATOM 276 CB ALA P 18 16.932 -5.961 12.786 1.00 0.00 PROT C ATOM 277 HB1 ALA P 18 16.134 -6.728 12.882 1.00 0.00 PROT H ATOM 278 HB2 ALA P 18 17.253 -5.932 11.722 1.00 0.00 PROT H ATOM 279 HB3 ALA P 18 17.795 -6.285 13.407 1.00 0.00 PROT H ATOM 280 C ALA P 18 17.409 -3.467 13.216 1.00 0.00 PROT C ATOM 281 O ALA P 18 17.848 -2.990 14.292 1.00 0.00 PROT O ATOM 282 N GLN P 19 17.750 -2.999 12.038 1.00 0.00 PROT N ATOM 283 HN GLN P 19 17.409 -3.393 11.187 1.00 0.00 PROT H ATOM 284 CA GLN P 19 18.653 -1.867 11.860 1.00 0.00 PROT C ATOM 285 HA GLN P 19 19.603 -2.131 12.308 1.00 0.00 PROT H ATOM 286 CB GLN P 19 18.779 -1.522 10.374 1.00 0.00 PROT C ATOM 287 HB1 GLN P 19 17.753 -1.582 9.941 1.00 0.00 PROT H ATOM 288 HB2 GLN P 19 19.100 -0.460 10.268 1.00 0.00 PROT H ATOM 289 CG GLN P 19 19.730 -2.520 9.734 1.00 0.00 PROT C ATOM 290 HG1 GLN P 19 20.779 -2.162 9.813 1.00 0.00 PROT H ATOM 291 HG2 GLN P 19 19.667 -3.504 10.242 1.00 0.00 PROT H ATOM 292 CD GLN P 19 19.485 -2.737 8.272 1.00 0.00 PROT C ATOM 293 OE1 GLN P 19 19.333 -3.894 7.869 1.00 0.00 PROT O ATOM 294 NE2 GLN P 19 19.495 -1.671 7.492 1.00 0.00 PROT N ATOM 295 HE21 GLN P 19 19.327 -1.822 6.522 1.00 0.00 PROT H ATOM 296 HE22 GLN P 19 19.681 -0.775 7.881 1.00 0.00 PROT H ATOM 297 C GLN P 19 18.111 -0.649 12.613 1.00 0.00 PROT C ATOM 298 O GLN P 19 18.874 0.228 13.064 1.00 0.00 PROT O ATOM 299 N GLY P 20 16.774 -0.622 12.736 1.00 0.00 PROT N ATOM 300 HN GLY P 20 16.171 -1.328 12.367 1.00 0.00 PROT H ATOM 301 CA GLY P 20 16.111 0.472 13.435 1.00 0.00 PROT C ATOM 302 HA1 GLY P 20 16.899 1.007 13.946 1.00 0.00 PROT H ATOM 303 HA2 GLY P 20 15.392 0.005 14.094 1.00 0.00 PROT H ATOM 304 C GLY P 20 15.374 1.450 12.563 1.00 0.00 PROT C ATOM 305 O GLY P 20 15.230 2.614 12.987 1.00 0.00 PROT O ATOM 306 N PHE P 21 14.913 1.019 11.398 1.00 0.00 PROT N ATOM 307 HN PHE P 21 15.057 0.093 11.054 1.00 0.00 PROT H ATOM 308 CA PHE P 21 14.128 1.899 10.490 1.00 0.00 PROT C ATOM 309 HA PHE P 21 13.953 2.851 10.976 1.00 0.00 PROT H ATOM 310 CB PHE P 21 14.835 2.339 9.226 1.00 0.00 PROT C ATOM 311 HB1 PHE P 21 14.884 1.482 8.520 1.00 0.00 PROT H ATOM 312 HB2 PHE P 21 14.274 3.152 8.716 1.00 0.00 PROT H ATOM 313 CG PHE P 21 16.272 2.802 9.343 1.00 0.00 PROT C ATOM 314 CD1 PHE P 21 16.578 4.153 9.558 1.00 0.00 PROT C ATOM 315 HD1 PHE P 21 15.780 4.881 9.606 1.00 0.00 PROT H ATOM 316 CE1 PHE P 21 17.884 4.611 9.710 1.00 0.00 PROT C ATOM 317 HE1 PHE P 21 18.070 5.654 9.926 1.00 0.00 PROT H ATOM 318 CZ PHE P 21 18.941 3.713 9.588 1.00 0.00 PROT C ATOM 319 HZ PHE P 21 19.966 4.044 9.673 1.00 0.00 PROT H ATOM 320 CD2 PHE P 21 17.326 1.899 9.214 1.00 0.00 PROT C ATOM 321 HD2 PHE P 21 17.124 0.863 8.982 1.00 0.00 PROT H ATOM 322 CE2 PHE P 21 18.657 2.347 9.360 1.00 0.00 PROT C ATOM 323 HE2 PHE P 21 19.473 1.641 9.296 1.00 0.00 PROT H ATOM 324 C PHE P 21 12.766 1.193 10.377 1.00 0.00 PROT C ATOM 325 O PHE P 21 12.464 0.080 9.900 1.00 0.00 PROT O ATOM 326 N LYS P 22 11.812 1.970 10.888 1.00 0.00 PROT N ATOM 327 HN LYS P 22 12.076 2.868 11.236 1.00 0.00 PROT H ATOM 328 CA LYS P 22 10.381 1.653 11.003 1.00 0.00 PROT C ATOM 329 HA LYS P 22 10.201 0.828 10.324 1.00 0.00 PROT H ATOM 330 CB LYS P 22 10.053 1.327 12.476 1.00 0.00 PROT C ATOM 331 HB1 LYS P 22 9.552 2.225 12.907 1.00 0.00 PROT H ATOM 332 HB2 LYS P 22 9.302 0.506 12.507 1.00 0.00 PROT H ATOM 333 CG LYS P 22 11.320 0.991 13.254 1.00 0.00 PROT C ATOM 334 HG1 LYS P 22 11.749 0.042 12.859 1.00 0.00 PROT H ATOM 335 HG2 LYS P 22 12.074 1.793 13.083 1.00 0.00 PROT H ATOM 336 CD LYS P 22 11.061 0.827 14.749 1.00 0.00 PROT C ATOM 337 HD1 LYS P 22 12.031 0.928 15.287 1.00 0.00 PROT H ATOM 338 HD2 LYS P 22 10.406 1.665 15.081 1.00 0.00 PROT H ATOM 339 CE LYS P 22 10.412 -0.518 15.008 1.00 0.00 PROT C ATOM 340 HE1 LYS P 22 10.723 -1.256 14.236 1.00 0.00 PROT H ATOM 341 HE2 LYS P 22 10.707 -0.908 16.007 1.00 0.00 PROT H ATOM 342 NZ LYS P 22 8.918 -0.300 14.951 1.00 0.00 PROT N ATOM 343 HZ1 LYS P 22 8.420 -1.198 15.122 1.00 0.00 PROT H ATOM 344 HZ2 LYS P 22 8.640 0.393 15.676 1.00 0.00 PROT H ATOM 345 HZ3 LYS P 22 8.658 0.065 14.012 1.00 0.00 PROT H ATOM 346 C LYS P 22 9.472 2.794 10.581 1.00 0.00 PROT C ATOM 347 O LYS P 22 8.329 2.861 11.063 1.00 0.00 PROT O ATOM 348 N GLY P 23 9.947 3.700 9.767 1.00 0.00 PROT N ATOM 349 HN GLY P 23 10.883 3.661 9.420 1.00 0.00 PROT H ATOM 350 CA GLY P 23 9.149 4.833 9.305 1.00 0.00 PROT C ATOM 351 HA1 GLY P 23 8.213 4.373 9.021 1.00 0.00 PROT H ATOM 352 HA2 GLY P 23 9.724 5.220 8.475 1.00 0.00 PROT H ATOM 353 C GLY P 23 8.842 5.981 10.233 1.00 0.00 PROT C ATOM 354 O GLY P 23 7.930 6.817 9.920 1.00 0.00 PROT O ATOM 355 N ALA P 24 9.554 6.088 11.346 1.00 0.00 PROT N ATOM 356 HN ALA P 24 10.263 5.456 11.658 1.00 0.00 PROT H ATOM 357 CA ALA P 24 9.295 7.255 12.242 1.00 0.00 PROT C ATOM 358 HA ALA P 24 8.314 7.218 12.701 1.00 0.00 PROT H ATOM 359 CB ALA P 24 10.376 7.314 13.312 1.00 0.00 PROT C ATOM 360 HB1 ALA P 24 10.304 6.418 13.965 1.00 0.00 PROT H ATOM 361 HB2 ALA P 24 11.390 7.323 12.855 1.00 0.00 PROT H ATOM 362 HB3 ALA P 24 10.268 8.215 13.953 1.00 0.00 PROT H ATOM 363 C ALA P 24 9.311 8.503 11.358 1.00 0.00 PROT C ATOM 364 O ALA P 24 10.131 8.686 10.439 1.00 0.00 PROT O ATOM 365 N ASN P 25 8.386 9.394 11.595 1.00 0.00 PROT N ATOM 366 HN ASN P 25 7.700 9.240 12.305 1.00 0.00 PROT H ATOM 367 CA ASN P 25 8.247 10.673 10.880 1.00 0.00 PROT C ATOM 368 HA ASN P 25 7.500 11.205 11.459 1.00 0.00 PROT H ATOM 369 CB ASN P 25 9.638 11.353 10.983 1.00 0.00 PROT C ATOM 370 HB1 ASN P 25 10.383 10.567 11.234 1.00 0.00 PROT H ATOM 371 HB2 ASN P 25 9.928 11.787 10.004 1.00 0.00 PROT H ATOM 372 CG ASN P 25 9.477 12.374 12.116 1.00 0.00 PROT C ATOM 373 OD1 ASN P 25 9.036 11.930 13.202 1.00 0.00 PROT O ATOM 374 ND2 ASN P 25 9.778 13.608 11.736 1.00 0.00 PROT N ATOM 375 HD21 ASN P 25 9.709 14.328 12.421 1.00 0.00 PROT H ATOM 376 HD22 ASN P 25 10.088 13.782 10.807 1.00 0.00 PROT H ATOM 377 C ASN P 25 7.755 10.599 9.458 1.00 0.00 PROT C ATOM 378 O ASN P 25 7.781 11.639 8.787 1.00 0.00 PROT O ATOM 379 N VAL P 26 7.382 9.432 8.996 1.00 0.00 PROT N ATOM 380 HN VAL P 26 7.433 8.623 9.575 1.00 0.00 PROT H ATOM 381 CA VAL P 26 6.868 9.178 7.638 1.00 0.00 PROT C ATOM 382 HA VAL P 26 7.137 10.013 7.002 1.00 0.00 PROT H ATOM 383 CB VAL P 26 7.517 7.927 7.027 1.00 0.00 PROT C ATOM 384 HB VAL P 26 7.275 7.062 7.693 1.00 0.00 PROT H ATOM 385 CG1 VAL P 26 6.972 7.636 5.627 1.00 0.00 PROT C ATOM 386 HG11 VAL P 26 7.483 6.751 5.190 1.00 0.00 PROT H ATOM 387 HG12 VAL P 26 5.885 7.412 5.649 1.00 0.00 PROT H ATOM 388 HG13 VAL P 26 7.144 8.501 4.951 1.00 0.00 PROT H ATOM 389 CG2 VAL P 26 9.018 8.107 6.945 1.00 0.00 PROT C ATOM 390 HG21 VAL P 26 9.494 7.224 6.468 1.00 0.00 PROT H ATOM 391 HG22 VAL P 26 9.271 9.008 6.345 1.00 0.00 PROT H ATOM 392 HG23 VAL P 26 9.464 8.224 7.954 1.00 0.00 PROT H ATOM 393 C VAL P 26 5.326 9.127 7.709 1.00 0.00 PROT C ATOM 394 O VAL P 26 4.688 8.383 8.485 1.00 0.00 PROT O ATOM 395 N LYS P 27 4.776 9.990 6.883 1.00 0.00 PROT N ATOM 396 HN LYS P 27 5.366 10.544 6.298 1.00 0.00 PROT H ATOM 397 CA LYS P 27 3.342 10.232 6.725 1.00 0.00 PROT C ATOM 398 HA LYS P 27 2.893 9.929 7.663 1.00 0.00 PROT H ATOM 399 CB LYS P 27 3.140 11.735 6.482 1.00 0.00 PROT C ATOM 400 HB1 LYS P 27 3.671 11.988 5.535 1.00 0.00 PROT H ATOM 401 HB2 LYS P 27 2.060 11.930 6.297 1.00 0.00 PROT H ATOM 402 CG LYS P 27 3.705 12.524 7.668 1.00 0.00 PROT C ATOM 403 HG1 LYS P 27 3.909 11.822 8.509 1.00 0.00 PROT H ATOM 404 HG2 LYS P 27 4.678 12.978 7.371 1.00 0.00 PROT H ATOM 405 CD LYS P 27 2.734 13.610 8.148 1.00 0.00 PROT C ATOM 406 HD1 LYS P 27 1.726 13.392 7.726 1.00 0.00 PROT H ATOM 407 HD2 LYS P 27 2.654 13.538 9.257 1.00 0.00 PROT H ATOM 408 CE LYS P 27 3.271 14.953 7.702 1.00 0.00 PROT C ATOM 409 HE1 LYS P 27 2.682 15.779 8.158 1.00 0.00 PROT H ATOM 410 HE2 LYS P 27 4.334 15.069 8.007 1.00 0.00 PROT H ATOM 411 NZ LYS P 27 3.164 15.027 6.194 1.00 0.00 PROT N ATOM 412 HZ1 LYS P 27 3.525 15.942 5.856 1.00 0.00 PROT H ATOM 413 HZ2 LYS P 27 3.720 14.258 5.768 1.00 0.00 PROT H ATOM 414 HZ3 LYS P 27 2.168 14.925 5.913 1.00 0.00 PROT H ATOM 415 C LYS P 27 2.682 9.431 5.631 1.00 0.00 PROT C ATOM 416 O LYS P 27 2.827 9.761 4.453 1.00 0.00 PROT O ATOM 417 N VAL P 28 1.951 8.398 6.039 1.00 0.00 PROT N ATOM 418 HN VAL P 28 1.828 8.153 6.997 1.00 0.00 PROT H ATOM 419 CA VAL P 28 1.255 7.521 5.097 1.00 0.00 PROT C ATOM 420 HA VAL P 28 1.603 7.773 4.103 1.00 0.00 PROT H ATOM 421 CB VAL P 28 1.527 6.023 5.350 1.00 0.00 PROT C ATOM 422 HB VAL P 28 0.646 5.608 5.898 1.00 0.00 PROT H ATOM 423 CG1 VAL P 28 1.706 5.206 4.072 1.00 0.00 PROT C ATOM 424 HG11 VAL P 28 1.937 4.148 4.320 1.00 0.00 PROT H ATOM 425 HG12 VAL P 28 0.785 5.207 3.453 1.00 0.00 PROT H ATOM 426 HG13 VAL P 28 2.545 5.607 3.464 1.00 0.00 PROT H ATOM 427 CG2 VAL P 28 2.667 5.828 6.319 1.00 0.00 PROT C ATOM 428 HG21 VAL P 28 2.880 4.747 6.463 1.00 0.00 PROT H ATOM 429 HG22 VAL P 28 3.590 6.319 5.940 1.00 0.00 PROT H ATOM 430 HG23 VAL P 28 2.427 6.258 7.314 1.00 0.00 PROT H ATOM 431 C VAL P 28 -0.258 7.764 5.130 1.00 0.00 PROT C ATOM 432 O VAL P 28 -0.906 7.738 6.172 1.00 0.00 PROT O ATOM 433 N ALA P 29 -0.798 7.940 3.952 1.00 0.00 PROT N ATOM 434 HN ALA P 29 -0.229 7.948 3.130 1.00 0.00 PROT H ATOM 435 CA ALA P 29 -2.229 8.135 3.727 1.00 0.00 PROT C ATOM 436 HA ALA P 29 -2.785 8.282 4.646 1.00 0.00 PROT H ATOM 437 CB ALA P 29 -2.445 9.310 2.806 1.00 0.00 PROT C ATOM 438 HB1 ALA P 29 -2.107 10.243 3.306 1.00 0.00 PROT H ATOM 439 HB2 ALA P 29 -1.861 9.194 1.867 1.00 0.00 PROT H ATOM 440 HB3 ALA P 29 -3.518 9.432 2.543 1.00 0.00 PROT H ATOM 441 C ALA P 29 -2.742 6.822 3.115 1.00 0.00 PROT C ATOM 442 O ALA P 29 -2.142 6.348 2.135 1.00 0.00 PROT O ATOM 443 N VAL P 30 -3.798 6.289 3.720 1.00 0.00 PROT N ATOM 444 HN VAL P 30 -4.221 6.658 4.543 1.00 0.00 PROT H ATOM 445 CA VAL P 30 -4.440 5.074 3.200 1.00 0.00 PROT C ATOM 446 HA VAL P 30 -3.914 4.706 2.328 1.00 0.00 PROT H ATOM 447 CB VAL P 30 -4.464 3.905 4.185 1.00 0.00 PROT C ATOM 448 HB VAL P 30 -5.177 4.169 5.004 1.00 0.00 PROT H ATOM 449 CG1 VAL P 30 -4.929 2.564 3.608 1.00 0.00 PROT C ATOM 450 HG11 VAL P 30 -4.876 1.771 4.385 1.00 0.00 PROT H ATOM 451 HG12 VAL P 30 -5.980 2.612 3.256 1.00 0.00 PROT H ATOM 452 HG13 VAL P 30 -4.283 2.257 2.758 1.00 0.00 PROT H ATOM 453 CG2 VAL P 30 -3.124 3.694 4.861 1.00 0.00 PROT C ATOM 454 HG21 VAL P 30 -3.160 2.815 5.540 1.00 0.00 PROT H ATOM 455 HG22 VAL P 30 -2.328 3.519 4.105 1.00 0.00 PROT H ATOM 456 HG23 VAL P 30 -2.838 4.576 5.470 1.00 0.00 PROT H ATOM 457 C VAL P 30 -5.825 5.568 2.732 1.00 0.00 PROT C ATOM 458 O VAL P 30 -6.654 6.018 3.515 1.00 0.00 PROT O ATOM 459 N LEU P 31 -6.062 5.547 1.448 1.00 0.00 PROT N ATOM 460 HN LEU P 31 -5.358 5.213 0.824 1.00 0.00 PROT H ATOM 461 CA LEU P 31 -7.301 5.978 0.785 1.00 0.00 PROT C ATOM 462 HA LEU P 31 -7.817 6.674 1.434 1.00 0.00 PROT H ATOM 463 CB LEU P 31 -6.815 6.589 -0.499 1.00 0.00 PROT C ATOM 464 HB1 LEU P 31 -5.908 6.021 -0.811 1.00 0.00 PROT H ATOM 465 HB2 LEU P 31 -7.575 6.415 -1.293 1.00 0.00 PROT H ATOM 466 CG LEU P 31 -6.431 8.051 -0.546 1.00 0.00 PROT C ATOM 467 HG LEU P 31 -7.269 8.659 -0.127 1.00 0.00 PROT H ATOM 468 CD1 LEU P 31 -5.179 8.300 0.263 1.00 0.00 PROT C ATOM 469 HD11 LEU P 31 -4.872 9.365 0.188 1.00 0.00 PROT H ATOM 470 HD12 LEU P 31 -5.351 8.061 1.334 1.00 0.00 PROT H ATOM 471 HD13 LEU P 31 -4.341 7.671 -0.106 1.00 0.00 PROT H ATOM 472 CD2 LEU P 31 -6.237 8.456 -2.006 1.00 0.00 PROT C ATOM 473 HD21 LEU P 31 -5.972 9.533 -2.076 1.00 0.00 PROT H ATOM 474 HD22 LEU P 31 -5.423 7.877 -2.487 1.00 0.00 PROT H ATOM 475 HD23 LEU P 31 -7.172 8.291 -2.583 1.00 0.00 PROT H ATOM 476 C LEU P 31 -8.182 4.736 0.646 1.00 0.00 PROT C ATOM 477 O LEU P 31 -8.094 3.997 -0.335 1.00 0.00 PROT O ATOM 478 N ASP P 32 -8.998 4.522 1.668 1.00 0.00 PROT N ATOM 479 HN ASP P 32 -9.124 5.136 2.443 1.00 0.00 PROT H ATOM 480 CA ASP P 32 -9.828 3.307 1.756 1.00 0.00 PROT C ATOM 481 HA ASP P 32 -9.967 2.970 0.735 1.00 0.00 PROT H ATOM 482 CB ASP P 32 -9.030 2.295 2.647 1.00 0.00 PROT C ATOM 483 HB1 ASP P 32 -7.969 2.612 2.699 1.00 0.00 PROT H ATOM 484 HB2 ASP P 32 -9.439 2.274 3.677 1.00 0.00 PROT H ATOM 485 CG ASP P 32 -9.113 0.932 2.016 1.00 0.00 PROT C ATOM 486 OD1 ASP P 32 -8.153 0.436 1.392 1.00 0.00 PROT O ATOM 487 OD2 ASP P 32 -10.197 0.336 2.107 1.00 0.00 PROT O ATOM 488 C ASP P 32 -11.217 3.547 2.332 1.00 0.00 PROT C ATOM 489 O ASP P 32 -11.680 4.698 2.362 1.00 0.00 PROT O ATOM 490 N THR P 33 -11.769 2.453 2.833 1.00 0.00 PROT N ATOM 491 HN THR P 33 -11.352 1.545 2.818 1.00 0.00 PROT H ATOM 492 CA THR P 33 -13.085 2.500 3.472 1.00 0.00 PROT C ATOM 493 HA THR P 33 -13.698 3.127 2.839 1.00 0.00 PROT H ATOM 494 CB THR P 33 -13.642 1.075 3.603 1.00 0.00 PROT C ATOM 495 HB THR P 33 -14.752 1.167 3.513 1.00 0.00 PROT H ATOM 496 OG1 THR P 33 -13.266 0.723 4.927 1.00 0.00 PROT O ATOM 497 HG1 THR P 33 -13.586 -0.177 5.054 1.00 0.00 PROT H ATOM 498 CG2 THR P 33 -13.211 0.044 2.600 1.00 0.00 PROT C ATOM 499 HG21 THR P 33 -13.772 -0.904 2.742 1.00 0.00 PROT H ATOM 500 HG22 THR P 33 -13.404 0.404 1.567 1.00 0.00 PROT H ATOM 501 HG23 THR P 33 -12.126 -0.177 2.694 1.00 0.00 PROT H ATOM 502 C THR P 33 -13.017 3.188 4.829 1.00 0.00 PROT C ATOM 503 O THR P 33 -14.070 3.392 5.463 1.00 0.00 PROT O ATOM 504 N GLY P 34 -11.851 3.474 5.354 1.00 0.00 PROT N ATOM 505 HN GLY P 34 -11.015 3.240 4.859 1.00 0.00 PROT H ATOM 506 CA GLY P 34 -11.655 4.136 6.660 1.00 0.00 PROT C ATOM 507 HA1 GLY P 34 -12.619 4.266 7.131 1.00 0.00 PROT H ATOM 508 HA2 GLY P 34 -11.106 5.056 6.509 1.00 0.00 PROT H ATOM 509 C GLY P 34 -10.817 3.231 7.546 1.00 0.00 PROT C ATOM 510 O GLY P 34 -10.374 2.232 6.992 1.00 0.00 PROT O ATOM 511 N ILE P 35 -10.607 3.566 8.802 1.00 0.00 PROT N ATOM 512 HN ILE P 35 -11.006 4.392 9.195 1.00 0.00 PROT H ATOM 513 CA ILE P 35 -9.779 2.780 9.750 1.00 0.00 PROT C ATOM 514 HA ILE P 35 -9.833 1.751 9.419 1.00 0.00 PROT H ATOM 515 CB ILE P 35 -8.379 3.371 9.868 1.00 0.00 PROT C ATOM 516 HB ILE P 35 -8.542 4.396 10.288 1.00 0.00 PROT H ATOM 517 CG2 ILE P 35 -7.459 2.528 10.738 1.00 0.00 PROT C ATOM 518 HG21 ILE P 35 -6.505 3.062 10.929 1.00 0.00 PROT H ATOM 519 HG22 ILE P 35 -7.929 2.316 11.721 1.00 0.00 PROT H ATOM 520 HG23 ILE P 35 -7.223 1.561 10.246 1.00 0.00 PROT H ATOM 521 CG1 ILE P 35 -7.754 3.556 8.500 1.00 0.00 PROT C ATOM 522 HG11 ILE P 35 -7.731 2.582 7.962 1.00 0.00 PROT H ATOM 523 HG12 ILE P 35 -8.392 4.247 7.903 1.00 0.00 PROT H ATOM 524 CD ILE P 35 -6.318 4.144 8.584 1.00 0.00 PROT C ATOM 525 HD1 ILE P 35 -5.913 4.320 7.564 1.00 0.00 PROT H ATOM 526 HD2 ILE P 35 -6.322 5.113 9.129 1.00 0.00 PROT H ATOM 527 HD3 ILE P 35 -5.632 3.447 9.110 1.00 0.00 PROT H ATOM 528 C ILE P 35 -10.362 2.821 11.163 1.00 0.00 PROT C ATOM 529 O ILE P 35 -10.568 3.972 11.606 1.00 0.00 PROT O ATOM 530 N GLN P 36 -10.617 1.706 11.798 1.00 0.00 PROT N ATOM 531 HN GLN P 36 -10.460 0.808 11.391 1.00 0.00 PROT H ATOM 532 CA GLN P 36 -11.163 1.668 13.183 1.00 0.00 PROT C ATOM 533 HA GLN P 36 -12.026 2.321 13.226 1.00 0.00 PROT H ATOM 534 CB GLN P 36 -11.473 0.261 13.693 1.00 0.00 PROT C ATOM 535 HB1 GLN P 36 -12.033 -0.260 12.882 1.00 0.00 PROT H ATOM 536 HB2 GLN P 36 -10.521 -0.302 13.824 1.00 0.00 PROT H ATOM 537 CG GLN P 36 -12.297 0.277 14.974 1.00 0.00 PROT C ATOM 538 HG1 GLN P 36 -12.090 1.200 15.556 1.00 0.00 PROT H ATOM 539 HG2 GLN P 36 -13.382 0.256 14.744 1.00 0.00 PROT H ATOM 540 CD GLN P 36 -11.984 -0.876 15.895 1.00 0.00 PROT C ATOM 541 OE1 GLN P 36 -11.802 -0.751 17.102 1.00 0.00 PROT O ATOM 542 NE2 GLN P 36 -11.873 -2.080 15.340 1.00 0.00 PROT N ATOM 543 HE21 GLN P 36 -11.671 -2.840 15.951 1.00 0.00 PROT H ATOM 544 HE22 GLN P 36 -11.976 -2.183 14.356 1.00 0.00 PROT H ATOM 545 C GLN P 36 -10.095 2.243 14.144 1.00 0.00 PROT C ATOM 546 O GLN P 36 -9.292 1.473 14.717 1.00 0.00 PROT O ATOM 547 N ALA P 37 -10.147 3.571 14.198 1.00 0.00 PROT N ATOM 548 HN ALA P 37 -10.817 4.127 13.707 1.00 0.00 PROT H ATOM 549 CA ALA P 37 -9.189 4.315 15.010 1.00 0.00 PROT C ATOM 550 HA ALA P 37 -8.197 4.196 14.591 1.00 0.00 PROT H ATOM 551 CB ALA P 37 -9.316 5.819 14.849 1.00 0.00 PROT C ATOM 552 HB1 ALA P 37 -9.321 6.079 13.769 1.00 0.00 PROT H ATOM 553 HB2 ALA P 37 -10.265 6.190 15.295 1.00 0.00 PROT H ATOM 554 HB3 ALA P 37 -8.468 6.355 15.327 1.00 0.00 PROT H ATOM 555 C ALA P 37 -9.104 3.841 16.460 1.00 0.00 PROT C ATOM 556 O ALA P 37 -8.039 4.151 17.030 1.00 0.00 PROT O ATOM 557 N SER P 38 -10.050 3.107 16.976 1.00 0.00 PROT N ATOM 558 HN SER P 38 -10.848 2.850 16.431 1.00 0.00 PROT H ATOM 559 CA SER P 38 -10.067 2.594 18.336 1.00 0.00 PROT C ATOM 560 HA SER P 38 -9.467 3.300 18.895 1.00 0.00 PROT H ATOM 561 CB SER P 38 -11.541 2.455 18.784 1.00 0.00 PROT C ATOM 562 HB1 SER P 38 -11.551 2.221 19.873 1.00 0.00 PROT H ATOM 563 HB2 SER P 38 -12.079 3.421 18.652 1.00 0.00 PROT H ATOM 564 OG SER P 38 -12.032 1.382 18.001 1.00 0.00 PROT O ATOM 565 HG1 SER P 38 -12.871 1.106 18.392 1.00 0.00 PROT H ATOM 566 C SER P 38 -9.435 1.218 18.518 1.00 0.00 PROT C ATOM 567 O SER P 38 -9.405 0.665 19.621 1.00 0.00 PROT O ATOM 568 N HSE P 39 -8.958 0.631 17.455 1.00 0.00 PROT N ATOM 569 HN HSE P 39 -9.061 1.130 16.595 1.00 0.00 PROT H ATOM 570 CA HSE P 39 -8.294 -0.647 17.327 1.00 0.00 PROT C ATOM 571 HA HSE P 39 -8.889 -1.405 17.823 1.00 0.00 PROT H ATOM 572 CB HSE P 39 -7.938 -0.950 15.874 1.00 0.00 PROT C ATOM 573 HB1 HSE P 39 -8.708 -0.477 15.228 1.00 0.00 PROT H ATOM 574 HB2 HSE P 39 -6.967 -0.475 15.624 1.00 0.00 PROT H ATOM 575 ND1 HSE P 39 -6.914 -3.140 16.313 1.00 0.00 PROT N ATOM 576 CG HSE P 39 -7.949 -2.453 15.740 1.00 0.00 PROT C ATOM 577 CE1 HSE P 39 -7.189 -4.425 16.094 1.00 0.00 PROT C ATOM 578 HE1 HSE P 39 -6.561 -5.258 16.419 1.00 0.00 PROT H ATOM 579 NE2 HSE P 39 -8.346 -4.547 15.410 1.00 0.00 PROT N ATOM 580 HE2 HSE P 39 -8.746 -5.411 15.107 1.00 0.00 PROT H ATOM 581 CD2 HSE P 39 -8.866 -3.285 15.174 1.00 0.00 PROT C ATOM 582 HD2 HSE P 39 -9.782 -3.053 14.650 1.00 0.00 PROT H ATOM 583 C HSE P 39 -6.976 -0.532 18.101 1.00 0.00 PROT C ATOM 584 O HSE P 39 -6.163 0.304 17.685 1.00 0.00 PROT O ATOM 585 N PRO P 40 -6.853 -1.338 19.127 1.00 0.00 PROT N ATOM 586 CD PRO P 40 -7.914 -2.333 19.588 1.00 0.00 PROT C ATOM 587 HD1 PRO P 40 -8.821 -2.154 20.209 1.00 0.00 PROT H ATOM 588 HD2 PRO P 40 -8.202 -2.686 18.571 1.00 0.00 PROT H ATOM 589 CA PRO P 40 -5.709 -1.345 20.037 1.00 0.00 PROT C ATOM 590 HA PRO P 40 -5.728 -0.436 20.627 1.00 0.00 PROT H ATOM 591 CB PRO P 40 -6.070 -2.438 21.045 1.00 0.00 PROT C ATOM 592 HB1 PRO P 40 -6.711 -1.999 21.842 1.00 0.00 PROT H ATOM 593 HB2 PRO P 40 -5.178 -2.900 21.514 1.00 0.00 PROT H ATOM 594 CG PRO P 40 -7.011 -3.366 20.264 1.00 0.00 PROT C ATOM 595 HG1 PRO P 40 -7.677 -3.958 20.922 1.00 0.00 PROT H ATOM 596 HG2 PRO P 40 -6.405 -4.055 19.632 1.00 0.00 PROT H ATOM 597 C PRO P 40 -4.366 -1.470 19.367 1.00 0.00 PROT C ATOM 598 O PRO P 40 -3.338 -1.027 19.885 1.00 0.00 PROT O ATOM 599 N ASP P 41 -4.344 -2.037 18.185 1.00 0.00 PROT N ATOM 600 HN ASP P 41 -5.139 -2.396 17.703 1.00 0.00 PROT H ATOM 601 CA ASP P 41 -3.086 -2.203 17.425 1.00 0.00 PROT C ATOM 602 HA ASP P 41 -2.292 -2.086 18.154 1.00 0.00 PROT H ATOM 603 CB ASP P 41 -3.146 -3.625 16.861 1.00 0.00 PROT C ATOM 604 HB1 ASP P 41 -3.915 -4.204 17.411 1.00 0.00 PROT H ATOM 605 HB2 ASP P 41 -3.424 -3.608 15.789 1.00 0.00 PROT H ATOM 606 CG ASP P 41 -1.803 -4.295 17.042 1.00 0.00 PROT C ATOM 607 OD1 ASP P 41 -1.111 -4.057 18.042 1.00 0.00 PROT O ATOM 608 OD2 ASP P 41 -1.503 -5.076 16.121 1.00 0.00 PROT O ATOM 609 C ASP P 41 -2.849 -1.158 16.347 1.00 0.00 PROT C ATOM 610 O ASP P 41 -2.071 -1.403 15.439 1.00 0.00 PROT O ATOM 611 N LEU P 42 -3.499 -0.028 16.394 1.00 0.00 PROT N ATOM 612 HN LEU P 42 -4.127 0.131 17.153 1.00 0.00 PROT H ATOM 613 CA LEU P 42 -3.420 1.060 15.452 1.00 0.00 PROT C ATOM 614 HA LEU P 42 -2.420 1.005 15.043 1.00 0.00 PROT H ATOM 615 CB LEU P 42 -4.577 0.987 14.432 1.00 0.00 PROT C ATOM 616 HB1 LEU P 42 -5.528 1.081 15.006 1.00 0.00 PROT H ATOM 617 HB2 LEU P 42 -4.530 1.878 13.767 1.00 0.00 PROT H ATOM 618 CG LEU P 42 -4.731 -0.238 13.554 1.00 0.00 PROT C ATOM 619 HG LEU P 42 -4.921 -1.116 14.218 1.00 0.00 PROT H ATOM 620 CD1 LEU P 42 -5.967 0.015 12.698 1.00 0.00 PROT C ATOM 621 HD11 LEU P 42 -6.125 -0.822 11.985 1.00 0.00 PROT H ATOM 622 HD12 LEU P 42 -6.872 0.107 13.336 1.00 0.00 PROT H ATOM 623 HD13 LEU P 42 -5.854 0.952 12.112 1.00 0.00 PROT H ATOM 624 CD2 LEU P 42 -3.517 -0.545 12.709 1.00 0.00 PROT C ATOM 625 HD21 LEU P 42 -3.689 -1.462 12.105 1.00 0.00 PROT H ATOM 626 HD22 LEU P 42 -3.287 0.281 12.007 1.00 0.00 PROT H ATOM 627 HD23 LEU P 42 -2.627 -0.715 13.353 1.00 0.00 PROT H ATOM 628 C LEU P 42 -3.593 2.450 16.063 1.00 0.00 PROT C ATOM 629 O LEU P 42 -4.455 2.654 16.927 1.00 0.00 PROT O ATOM 630 N ASN P 43 -2.754 3.330 15.518 1.00 0.00 PROT N ATOM 631 HN ASN P 43 -2.058 3.147 14.824 1.00 0.00 PROT H ATOM 632 CA ASN P 43 -2.825 4.732 15.955 1.00 0.00 PROT C ATOM 633 HA ASN P 43 -3.788 4.861 16.437 1.00 0.00 PROT H ATOM 634 CB ASN P 43 -1.865 5.105 17.041 1.00 0.00 PROT C ATOM 635 HB1 ASN P 43 -2.349 4.878 18.016 1.00 0.00 PROT H ATOM 636 HB2 ASN P 43 -0.947 4.486 16.973 1.00 0.00 PROT H ATOM 637 CG ASN P 43 -1.648 6.609 16.839 1.00 0.00 PROT C ATOM 638 OD1 ASN P 43 -2.358 7.440 17.410 1.00 0.00 PROT O ATOM 639 ND2 ASN P 43 -0.676 6.845 15.972 1.00 0.00 PROT N ATOM 640 HD21 ASN P 43 -0.453 7.797 15.783 1.00 0.00 PROT H ATOM 641 HD22 ASN P 43 -0.181 6.087 15.560 1.00 0.00 PROT H ATOM 642 C ASN P 43 -2.796 5.649 14.718 1.00 0.00 PROT C ATOM 643 O ASN P 43 -1.751 5.823 14.098 1.00 0.00 PROT O ATOM 644 N VAL P 44 -3.982 6.129 14.391 1.00 0.00 PROT N ATOM 645 HN VAL P 44 -4.743 5.871 14.981 1.00 0.00 PROT H ATOM 646 CA VAL P 44 -4.350 6.994 13.278 1.00 0.00 PROT C ATOM 647 HA VAL P 44 -3.665 6.866 12.449 1.00 0.00 PROT H ATOM 648 CB VAL P 44 -5.842 6.830 12.905 1.00 0.00 PROT C ATOM 649 HB VAL P 44 -6.446 7.070 13.815 1.00 0.00 PROT H ATOM 650 CG1 VAL P 44 -6.344 7.743 11.787 1.00 0.00 PROT C ATOM 651 HG11 VAL P 44 -7.411 7.527 11.563 1.00 0.00 PROT H ATOM 652 HG12 VAL P 44 -6.276 8.814 12.071 1.00 0.00 PROT H ATOM 653 HG13 VAL P 44 -5.758 7.583 10.857 1.00 0.00 PROT H ATOM 654 CG2 VAL P 44 -6.207 5.403 12.545 1.00 0.00 PROT C ATOM 655 HG21 VAL P 44 -7.274 5.334 12.246 1.00 0.00 PROT H ATOM 656 HG22 VAL P 44 -5.582 5.042 11.700 1.00 0.00 PROT H ATOM 657 HG23 VAL P 44 -6.056 4.720 13.407 1.00 0.00 PROT H ATOM 658 C VAL P 44 -4.136 8.403 13.838 1.00 0.00 PROT C ATOM 659 O VAL P 44 -4.735 8.668 14.899 1.00 0.00 PROT O ATOM 660 N VAL P 45 -3.371 9.211 13.169 1.00 0.00 PROT N ATOM 661 HN VAL P 45 -2.911 9.023 12.305 1.00 0.00 PROT H ATOM 662 CA VAL P 45 -3.131 10.551 13.702 1.00 0.00 PROT C ATOM 663 HA VAL P 45 -3.304 10.500 14.770 1.00 0.00 PROT H ATOM 664 CB VAL P 45 -1.629 10.933 13.483 1.00 0.00 PROT C ATOM 665 HB VAL P 45 -1.482 11.111 12.389 1.00 0.00 PROT H ATOM 666 CG1 VAL P 45 -1.303 12.216 14.263 1.00 0.00 PROT C ATOM 667 HG11 VAL P 45 -0.229 12.476 14.147 1.00 0.00 PROT H ATOM 668 HG12 VAL P 45 -1.894 13.080 13.895 1.00 0.00 PROT H ATOM 669 HG13 VAL P 45 -1.508 12.080 15.346 1.00 0.00 PROT H ATOM 670 CG2 VAL P 45 -0.641 9.814 13.788 1.00 0.00 PROT C ATOM 671 HG21 VAL P 45 0.404 10.164 13.650 1.00 0.00 PROT H ATOM 672 HG22 VAL P 45 -0.758 9.465 14.837 1.00 0.00 PROT H ATOM 673 HG23 VAL P 45 -0.795 8.947 13.113 1.00 0.00 PROT H ATOM 674 C VAL P 45 -4.095 11.580 13.132 1.00 0.00 PROT C ATOM 675 O VAL P 45 -4.175 12.678 13.722 1.00 0.00 PROT O ATOM 676 N GLY P 46 -4.748 11.269 12.018 1.00 0.00 PROT N ATOM 677 HN GLY P 46 -4.713 10.412 11.505 1.00 0.00 PROT H ATOM 678 CA GLY P 46 -5.640 12.315 11.460 1.00 0.00 PROT C ATOM 679 HA1 GLY P 46 -5.059 13.171 11.147 1.00 0.00 PROT H ATOM 680 HA2 GLY P 46 -6.432 12.547 12.159 1.00 0.00 PROT H ATOM 681 C GLY P 46 -6.274 11.698 10.222 1.00 0.00 PROT C ATOM 682 O GLY P 46 -6.232 10.472 10.096 1.00 0.00 PROT O ATOM 683 N GLY P 47 -6.781 12.577 9.392 1.00 0.00 PROT N ATOM 684 HN GLY P 47 -6.743 13.557 9.581 1.00 0.00 PROT H ATOM 685 CA GLY P 47 -7.427 12.203 8.153 1.00 0.00 PROT C ATOM 686 HA1 GLY P 47 -7.808 11.203 8.307 1.00 0.00 PROT H ATOM 687 HA2 GLY P 47 -6.670 12.276 7.384 1.00 0.00 PROT H ATOM 688 C GLY P 47 -8.599 13.099 7.747 1.00 0.00 PROT C ATOM 689 O GLY P 47 -8.875 14.255 8.138 1.00 0.00 PROT O ATOM 690 N ALA P 48 -9.339 12.460 6.847 1.00 0.00 PROT N ATOM 691 HN ALA P 48 -9.132 11.524 6.565 1.00 0.00 PROT H ATOM 692 CA ALA P 48 -10.504 13.067 6.203 1.00 0.00 PROT C ATOM 693 HA ALA P 48 -11.148 13.539 6.937 1.00 0.00 PROT H ATOM 694 CB ALA P 48 -9.948 14.141 5.265 1.00 0.00 PROT C ATOM 695 HB1 ALA P 48 -9.390 14.899 5.855 1.00 0.00 PROT H ATOM 696 HB2 ALA P 48 -9.246 13.700 4.524 1.00 0.00 PROT H ATOM 697 HB3 ALA P 48 -10.760 14.664 4.715 1.00 0.00 PROT H ATOM 698 C ALA P 48 -11.350 12.003 5.508 1.00 0.00 PROT C ATOM 699 O ALA P 48 -10.860 10.901 5.202 1.00 0.00 PROT O ATOM 700 N SER P 49 -12.589 12.445 5.301 1.00 0.00 PROT N ATOM 701 HN SER P 49 -12.854 13.360 5.607 1.00 0.00 PROT H ATOM 702 CA SER P 49 -13.666 11.697 4.638 1.00 0.00 PROT C ATOM 703 HA SER P 49 -13.202 10.861 4.131 1.00 0.00 PROT H ATOM 704 CB SER P 49 -14.644 11.156 5.668 1.00 0.00 PROT C ATOM 705 HB1 SER P 49 -14.099 10.432 6.316 1.00 0.00 PROT H ATOM 706 HB2 SER P 49 -15.006 11.977 6.327 1.00 0.00 PROT H ATOM 707 OG SER P 49 -15.772 10.462 5.150 1.00 0.00 PROT O ATOM 708 HG1 SER P 49 -16.178 9.990 5.888 1.00 0.00 PROT H ATOM 709 C SER P 49 -14.310 12.580 3.564 1.00 0.00 PROT C ATOM 710 O SER P 49 -14.554 13.772 3.765 1.00 0.00 PROT O ATOM 711 N PHE P 50 -14.584 12.036 2.404 1.00 0.00 PROT N ATOM 712 HN PHE P 50 -14.363 11.070 2.280 1.00 0.00 PROT H ATOM 713 CA PHE P 50 -15.189 12.677 1.231 1.00 0.00 PROT C ATOM 714 HA PHE P 50 -15.606 13.628 1.540 1.00 0.00 PROT H ATOM 715 CB PHE P 50 -14.291 12.962 0.028 1.00 0.00 PROT C ATOM 716 HB1 PHE P 50 -13.964 11.998 -0.419 1.00 0.00 PROT H ATOM 717 HB2 PHE P 50 -14.843 13.518 -0.760 1.00 0.00 PROT H ATOM 718 CG PHE P 50 -13.030 13.713 0.389 1.00 0.00 PROT C ATOM 719 CD1 PHE P 50 -11.890 12.996 0.737 1.00 0.00 PROT C ATOM 720 HD1 PHE P 50 -11.915 11.915 0.729 1.00 0.00 PROT H ATOM 721 CE1 PHE P 50 -10.721 13.628 1.101 1.00 0.00 PROT C ATOM 722 HE1 PHE P 50 -9.846 13.045 1.350 1.00 0.00 PROT H ATOM 723 CZ PHE P 50 -10.680 15.012 1.137 1.00 0.00 PROT C ATOM 724 HZ PHE P 50 -9.771 15.520 1.425 1.00 0.00 PROT H ATOM 725 CD2 PHE P 50 -12.992 15.095 0.412 1.00 0.00 PROT C ATOM 726 HD2 PHE P 50 -13.876 15.664 0.159 1.00 0.00 PROT H ATOM 727 CE2 PHE P 50 -11.819 15.756 0.789 1.00 0.00 PROT C ATOM 728 HE2 PHE P 50 -11.794 16.837 0.812 1.00 0.00 PROT H ATOM 729 C PHE P 50 -16.365 11.786 0.808 1.00 0.00 PROT C ATOM 730 O PHE P 50 -16.925 11.847 -0.288 1.00 0.00 PROT O ATOM 731 N VAL P 51 -16.684 10.918 1.739 1.00 0.00 PROT N ATOM 732 HN VAL P 51 -16.190 10.819 2.599 1.00 0.00 PROT H ATOM 733 CA VAL P 51 -17.831 9.994 1.582 1.00 0.00 PROT C ATOM 734 HA VAL P 51 -18.160 9.934 0.552 1.00 0.00 PROT H ATOM 735 CB VAL P 51 -17.476 8.586 2.069 1.00 0.00 PROT C ATOM 736 HB VAL P 51 -16.861 8.695 2.996 1.00 0.00 PROT H ATOM 737 CG1 VAL P 51 -18.715 7.773 2.403 1.00 0.00 PROT C ATOM 738 HG11 VAL P 51 -18.429 6.745 2.716 1.00 0.00 PROT H ATOM 739 HG12 VAL P 51 -19.289 8.225 3.238 1.00 0.00 PROT H ATOM 740 HG13 VAL P 51 -19.381 7.690 1.517 1.00 0.00 PROT H ATOM 741 CG2 VAL P 51 -16.554 7.819 1.135 1.00 0.00 PROT C ATOM 742 HG21 VAL P 51 -16.366 6.795 1.522 1.00 0.00 PROT H ATOM 743 HG22 VAL P 51 -17.006 7.733 0.123 1.00 0.00 PROT H ATOM 744 HG23 VAL P 51 -15.571 8.325 1.036 1.00 0.00 PROT H ATOM 745 C VAL P 51 -18.921 10.738 2.372 1.00 0.00 PROT C ATOM 746 O VAL P 51 -18.605 11.172 3.485 1.00 0.00 PROT O ATOM 747 N ALA P 52 -20.118 10.875 1.855 1.00 0.00 PROT N ATOM 748 HN ALA P 52 -20.376 10.526 0.954 1.00 0.00 PROT H ATOM 749 CA ALA P 52 -21.181 11.569 2.589 1.00 0.00 PROT C ATOM 750 HA ALA P 52 -20.768 12.393 3.159 1.00 0.00 PROT H ATOM 751 CB ALA P 52 -22.149 12.141 1.548 1.00 0.00 PROT C ATOM 752 HB1 ALA P 52 -21.604 12.839 0.876 1.00 0.00 PROT H ATOM 753 HB2 ALA P 52 -22.584 11.333 0.921 1.00 0.00 PROT H ATOM 754 HB3 ALA P 52 -22.979 12.704 2.027 1.00 0.00 PROT H ATOM 755 C ALA P 52 -21.867 10.648 3.597 1.00 0.00 PROT C ATOM 756 O ALA P 52 -22.155 9.472 3.326 1.00 0.00 PROT O ATOM 757 N GLY P 53 -22.103 11.189 4.787 1.00 0.00 PROT N ATOM 758 HN GLY P 53 -21.825 12.129 4.979 1.00 0.00 PROT H ATOM 759 CA GLY P 53 -22.766 10.488 5.888 1.00 0.00 PROT C ATOM 760 HA1 GLY P 53 -23.443 9.790 5.414 1.00 0.00 PROT H ATOM 761 HA2 GLY P 53 -23.256 11.259 6.467 1.00 0.00 PROT H ATOM 762 C GLY P 53 -21.862 9.704 6.823 1.00 0.00 PROT C ATOM 763 O GLY P 53 -22.164 9.495 8.007 1.00 0.00 PROT O ATOM 764 N GLU P 54 -20.742 9.241 6.309 1.00 0.00 PROT N ATOM 765 HN GLU P 54 -20.617 9.444 5.342 1.00 0.00 PROT H ATOM 766 CA GLU P 54 -19.650 8.484 6.900 1.00 0.00 PROT C ATOM 767 HA GLU P 54 -20.027 7.979 7.781 1.00 0.00 PROT H ATOM 768 CB GLU P 54 -18.895 7.638 5.875 1.00 0.00 PROT C ATOM 769 HB1 GLU P 54 -18.239 8.316 5.281 1.00 0.00 PROT H ATOM 770 HB2 GLU P 54 -18.211 6.933 6.398 1.00 0.00 PROT H ATOM 771 CG GLU P 54 -19.683 6.819 4.865 1.00 0.00 PROT C ATOM 772 HG1 GLU P 54 -20.493 7.439 4.439 1.00 0.00 PROT H ATOM 773 HG2 GLU P 54 -19.028 6.461 4.046 1.00 0.00 PROT H ATOM 774 CD GLU P 54 -20.329 5.654 5.568 1.00 0.00 PROT C ATOM 775 OE1 GLU P 54 -20.438 5.770 6.780 1.00 0.00 PROT O ATOM 776 OE2 GLU P 54 -20.665 4.678 4.776 1.00 0.00 PROT O ATOM 777 C GLU P 54 -18.507 9.421 7.361 1.00 0.00 PROT C ATOM 778 O GLU P 54 -17.742 10.030 6.581 1.00 0.00 PROT O ATOM 779 N ALA P 55 -18.301 9.487 8.661 1.00 0.00 PROT N ATOM 780 HN ALA P 55 -18.877 8.919 9.248 1.00 0.00 PROT H ATOM 781 CA ALA P 55 -17.323 10.298 9.350 1.00 0.00 PROT C ATOM 782 HA ALA P 55 -17.482 11.310 8.994 1.00 0.00 PROT H ATOM 783 CB ALA P 55 -17.584 10.205 10.876 1.00 0.00 PROT C ATOM 784 HB1 ALA P 55 -18.649 10.441 11.087 1.00 0.00 PROT H ATOM 785 HB2 ALA P 55 -17.379 9.180 11.254 1.00 0.00 PROT H ATOM 786 HB3 ALA P 55 -16.955 10.924 11.443 1.00 0.00 PROT H ATOM 787 C ALA P 55 -15.838 10.026 9.217 1.00 0.00 PROT C ATOM 788 O ALA P 55 -15.084 11.015 9.438 1.00 0.00 PROT O ATOM 789 N TYR P 57 -15.442 8.798 8.948 1.00 0.00 PROT N ATOM 790 HN TYR P 57 -15.996 7.986 8.775 1.00 0.00 PROT H ATOM 791 CA TYR P 57 -13.980 8.569 8.889 1.00 0.00 PROT C ATOM 792 HA TYR P 57 -13.783 7.677 8.307 1.00 0.00 PROT H ATOM 793 CB TYR P 57 -13.246 9.821 8.351 1.00 0.00 PROT C ATOM 794 HB1 TYR P 57 -13.056 9.693 7.263 1.00 0.00 PROT H ATOM 795 HB2 TYR P 57 -13.877 10.728 8.470 1.00 0.00 PROT H ATOM 796 CG TYR P 57 -11.915 9.992 9.047 1.00 0.00 PROT C ATOM 797 CD1 TYR P 57 -10.939 9.005 8.915 1.00 0.00 PROT C ATOM 798 HD1 TYR P 57 -11.141 8.126 8.318 1.00 0.00 PROT H ATOM 799 CE1 TYR P 57 -9.704 9.137 9.571 1.00 0.00 PROT C ATOM 800 HE1 TYR P 57 -8.939 8.383 9.459 1.00 0.00 PROT H ATOM 801 CZ TYR P 57 -9.487 10.251 10.373 1.00 0.00 PROT C ATOM 802 OH TYR P 57 -8.309 10.407 11.034 1.00 0.00 PROT O ATOM 803 HH TYR P 57 -8.333 11.263 11.467 1.00 0.00 PROT H ATOM 804 CD2 TYR P 57 -11.658 11.084 9.855 1.00 0.00 PROT C ATOM 805 HD2 TYR P 57 -12.423 11.832 10.013 1.00 0.00 PROT H ATOM 806 CE2 TYR P 57 -10.453 11.224 10.514 1.00 0.00 PROT C ATOM 807 HE2 TYR P 57 -10.286 12.081 11.149 1.00 0.00 PROT H ATOM 808 C TYR P 57 -13.565 8.267 10.334 1.00 0.00 PROT C ATOM 809 O TYR P 57 -14.199 8.858 11.245 1.00 0.00 PROT O ATOM 810 N ASN P 58 -12.584 7.401 10.513 1.00 0.00 PROT N ATOM 811 HN ASN P 58 -12.063 6.945 9.792 1.00 0.00 PROT H ATOM 812 CA ASN P 58 -12.179 7.037 11.883 1.00 0.00 PROT C ATOM 813 HA ASN P 58 -11.148 6.705 11.832 1.00 0.00 PROT H ATOM 814 CB ASN P 58 -12.270 8.212 12.847 1.00 0.00 PROT C ATOM 815 HB1 ASN P 58 -12.778 9.048 12.318 1.00 0.00 PROT H ATOM 816 HB2 ASN P 58 -12.895 7.944 13.723 1.00 0.00 PROT H ATOM 817 CG ASN P 58 -10.924 8.728 13.324 1.00 0.00 PROT C ATOM 818 OD1 ASN P 58 -9.995 7.946 13.593 1.00 0.00 PROT O ATOM 819 ND2 ASN P 58 -10.792 10.054 13.463 1.00 0.00 PROT N ATOM 820 HD21 ASN P 58 -9.907 10.397 13.765 1.00 0.00 PROT H ATOM 821 HD22 ASN P 58 -11.552 10.657 13.239 1.00 0.00 PROT H ATOM 822 C ASN P 58 -13.035 5.836 12.346 1.00 0.00 PROT C ATOM 823 O ASN P 58 -12.888 5.323 13.465 1.00 0.00 PROT O ATOM 824 N THR P 59 -13.930 5.441 11.478 1.00 0.00 PROT N ATOM 825 HN THR P 59 -14.039 5.898 10.596 1.00 0.00 PROT H ATOM 826 CA THR P 59 -14.848 4.318 11.692 1.00 0.00 PROT C ATOM 827 HA THR P 59 -14.441 3.673 12.459 1.00 0.00 PROT H ATOM 828 CB THR P 59 -16.253 4.782 12.066 1.00 0.00 PROT C ATOM 829 HB THR P 59 -16.771 3.889 12.494 1.00 0.00 PROT H ATOM 830 OG1 THR P 59 -16.814 5.134 10.826 1.00 0.00 PROT O ATOM 831 HG1 THR P 59 -17.704 5.445 11.026 1.00 0.00 PROT H ATOM 832 CG2 THR P 59 -16.255 5.953 13.027 1.00 0.00 PROT C ATOM 833 HG21 THR P 59 -17.287 6.187 13.363 1.00 0.00 PROT H ATOM 834 HG22 THR P 59 -15.649 5.716 13.927 1.00 0.00 PROT H ATOM 835 HG23 THR P 59 -15.830 6.862 12.551 1.00 0.00 PROT H ATOM 836 C THR P 59 -14.776 3.531 10.377 1.00 0.00 PROT C ATOM 837 O THR P 59 -14.593 4.243 9.377 1.00 0.00 PROT O ATOM 838 N ASP P 60 -14.836 2.221 10.472 1.00 0.00 PROT N ATOM 839 HN ASP P 60 -14.922 1.735 11.338 1.00 0.00 PROT H ATOM 840 CA ASP P 60 -14.784 1.322 9.315 1.00 0.00 PROT C ATOM 841 HA ASP P 60 -14.806 1.944 8.427 1.00 0.00 PROT H ATOM 842 CB ASP P 60 -13.572 0.419 9.291 1.00 0.00 PROT C ATOM 843 HB1 ASP P 60 -12.678 1.000 9.595 1.00 0.00 PROT H ATOM 844 HB2 ASP P 60 -13.698 -0.423 10.000 1.00 0.00 PROT H ATOM 845 CG ASP P 60 -13.124 -0.250 8.013 1.00 0.00 PROT C ATOM 846 OD1 ASP P 60 -11.883 -0.456 7.882 1.00 0.00 PROT O ATOM 847 OD2 ASP P 60 -13.950 -0.573 7.132 1.00 0.00 PROT O ATOM 848 C ASP P 60 -16.033 0.420 9.257 1.00 0.00 PROT C ATOM 849 O ASP P 60 -16.216 -0.532 10.021 1.00 0.00 PROT O ATOM 850 N GLY P 61 -16.858 0.671 8.279 1.00 0.00 PROT N ATOM 851 HN GLY P 61 -16.698 1.417 7.633 1.00 0.00 PROT H ATOM 852 CA GLY P 61 -18.071 -0.111 8.052 1.00 0.00 PROT C ATOM 853 HA1 GLY P 61 -18.708 0.450 7.382 1.00 0.00 PROT H ATOM 854 HA2 GLY P 61 -18.518 -0.328 9.013 1.00 0.00 PROT H ATOM 855 C GLY P 61 -17.734 -1.434 7.383 1.00 0.00 PROT C ATOM 856 O GLY P 61 -18.440 -2.422 7.695 1.00 0.00 PROT O ATOM 857 N ASN P 62 -16.722 -1.427 6.525 1.00 0.00 PROT N ATOM 858 HN ASN P 62 -16.128 -0.658 6.290 1.00 0.00 PROT H ATOM 859 CA ASN P 62 -16.402 -2.702 5.805 1.00 0.00 PROT C ATOM 860 HA ASN P 62 -17.114 -3.395 6.240 1.00 0.00 PROT H ATOM 861 CB ASN P 62 -16.891 -2.397 4.414 1.00 0.00 PROT C ATOM 862 HB1 ASN P 62 -17.923 -2.801 4.320 1.00 0.00 PROT H ATOM 863 HB2 ASN P 62 -16.948 -1.301 4.257 1.00 0.00 PROT H ATOM 864 CG ASN P 62 -16.478 -2.732 3.040 1.00 0.00 PROT C ATOM 865 OD1 ASN P 62 -16.974 -2.071 2.083 1.00 0.00 PROT O ATOM 866 ND2 ASN P 62 -15.615 -3.714 2.823 1.00 0.00 PROT N ATOM 867 HD21 ASN P 62 -15.357 -3.896 1.878 1.00 0.00 PROT H ATOM 868 HD22 ASN P 62 -15.229 -4.217 3.590 1.00 0.00 PROT H ATOM 869 C ASN P 62 -15.030 -3.304 5.954 1.00 0.00 PROT C ATOM 870 O ASN P 62 -14.455 -3.718 4.910 1.00 0.00 PROT O ATOM 871 N GLY P 63 -14.453 -3.438 7.130 1.00 0.00 PROT N ATOM 872 HN GLY P 63 -14.987 -3.086 7.898 1.00 0.00 PROT H ATOM 873 CA GLY P 63 -13.185 -4.008 7.468 1.00 0.00 PROT C ATOM 874 HA1 GLY P 63 -13.444 -5.056 7.534 1.00 0.00 PROT H ATOM 875 HA2 GLY P 63 -12.993 -3.537 8.423 1.00 0.00 PROT H ATOM 876 C GLY P 63 -11.938 -3.888 6.633 1.00 0.00 PROT C ATOM 877 O GLY P 63 -10.818 -4.209 7.078 1.00 0.00 PROT O ATOM 878 N HSD P 64 -11.993 -3.419 5.417 1.00 0.00 PROT N ATOM 879 HN HSD P 64 -12.894 -3.120 5.107 1.00 0.00 PROT H ATOM 880 CA HSD P 64 -10.918 -3.269 4.440 1.00 0.00 PROT C ATOM 881 HA HSD P 64 -10.406 -4.222 4.402 1.00 0.00 PROT H ATOM 882 CB HSD P 64 -11.610 -3.098 3.091 1.00 0.00 PROT C ATOM 883 HB1 HSD P 64 -12.431 -3.843 3.008 1.00 0.00 PROT H ATOM 884 HB2 HSD P 64 -12.084 -2.093 3.041 1.00 0.00 PROT H ATOM 885 ND1 HSD P 64 -10.149 -2.173 1.265 1.00 0.00 PROT N ATOM 886 HD1 HSD P 64 -10.143 -1.231 1.601 1.00 0.00 PROT H ATOM 887 CG HSD P 64 -10.759 -3.253 1.872 1.00 0.00 PROT C ATOM 888 CE1 HSD P 64 -9.487 -2.621 0.239 1.00 0.00 PROT C ATOM 889 HE1 HSD P 64 -8.894 -1.989 -0.427 1.00 0.00 PROT H ATOM 890 NE2 HSD P 64 -9.635 -3.937 0.135 1.00 0.00 PROT N ATOM 891 CD2 HSD P 64 -10.432 -4.363 1.153 1.00 0.00 PROT C ATOM 892 HD2 HSD P 64 -10.742 -5.392 1.291 1.00 0.00 PROT H ATOM 893 C HSD P 64 -9.888 -2.215 4.813 1.00 0.00 PROT C ATOM 894 O HSD P 64 -8.665 -2.515 4.930 1.00 0.00 PROT O ATOM 895 N GLY P 65 -10.338 -0.985 5.043 1.00 0.00 PROT N ATOM 896 HN GLY P 65 -11.305 -0.740 4.981 1.00 0.00 PROT H ATOM 897 CA GLY P 65 -9.429 0.106 5.408 1.00 0.00 PROT C ATOM 898 HA1 GLY P 65 -10.057 0.953 5.651 1.00 0.00 PROT H ATOM 899 HA2 GLY P 65 -8.782 0.263 4.556 1.00 0.00 PROT H ATOM 900 C GLY P 65 -8.550 -0.192 6.617 1.00 0.00 PROT C ATOM 901 O GLY P 65 -7.339 0.123 6.630 1.00 0.00 PROT O ATOM 902 N THR P 66 -9.189 -0.759 7.608 1.00 0.00 PROT N ATOM 903 HN THR P 66 -10.170 -0.928 7.515 1.00 0.00 PROT H ATOM 904 CA THR P 66 -8.618 -1.197 8.896 1.00 0.00 PROT C ATOM 905 HA THR P 66 -8.040 -0.369 9.284 1.00 0.00 PROT H ATOM 906 CB THR P 66 -9.758 -1.540 9.854 1.00 0.00 PROT C ATOM 907 HB THR P 66 -10.379 -2.310 9.334 1.00 0.00 PROT H ATOM 908 OG1 THR P 66 -10.529 -0.357 10.023 1.00 0.00 PROT O ATOM 909 HG1 THR P 66 -11.232 -0.594 10.637 1.00 0.00 PROT H ATOM 910 CG2 THR P 66 -9.366 -2.069 11.229 1.00 0.00 PROT C ATOM 911 HG21 THR P 66 -10.263 -2.392 11.799 1.00 0.00 PROT H ATOM 912 HG22 THR P 66 -8.691 -2.946 11.129 1.00 0.00 PROT H ATOM 913 HG23 THR P 66 -8.839 -1.291 11.822 1.00 0.00 PROT H ATOM 914 C THR P 66 -7.614 -2.347 8.626 1.00 0.00 PROT C ATOM 915 O THR P 66 -6.483 -2.393 9.164 1.00 0.00 PROT O ATOM 916 N HSE P 67 -8.006 -3.249 7.734 1.00 0.00 PROT N ATOM 917 HN HSE P 67 -8.888 -3.244 7.265 1.00 0.00 PROT H ATOM 918 CA HSE P 67 -7.125 -4.368 7.360 1.00 0.00 PROT C ATOM 919 HA HSE P 67 -6.773 -4.820 8.280 1.00 0.00 PROT H ATOM 920 CB HSE P 67 -7.946 -5.388 6.568 1.00 0.00 PROT C ATOM 921 HB1 HSE P 67 -8.935 -5.490 7.064 1.00 0.00 PROT H ATOM 922 HB2 HSE P 67 -8.134 -4.999 5.545 1.00 0.00 PROT H ATOM 923 ND1 HSE P 67 -6.296 -6.990 5.611 1.00 0.00 PROT N ATOM 924 CG HSE P 67 -7.266 -6.709 6.545 1.00 0.00 PROT C ATOM 925 CE1 HSE P 67 -5.928 -8.221 5.874 1.00 0.00 PROT C ATOM 926 HE1 HSE P 67 -5.200 -8.789 5.290 1.00 0.00 PROT H ATOM 927 NE2 HSE P 67 -6.553 -8.742 6.960 1.00 0.00 PROT N ATOM 928 HE2 HSE P 67 -6.428 -9.651 7.357 1.00 0.00 PROT H ATOM 929 CD2 HSE P 67 -7.430 -7.781 7.407 1.00 0.00 PROT C ATOM 930 HD2 HSE P 67 -8.093 -7.895 8.253 1.00 0.00 PROT H ATOM 931 C HSE P 67 -5.896 -3.858 6.612 1.00 0.00 PROT C ATOM 932 O HSE P 67 -4.741 -4.252 6.885 1.00 0.00 PROT O ATOM 933 N VAL P 68 -6.069 -2.992 5.617 1.00 0.00 PROT N ATOM 934 HN VAL P 68 -6.970 -2.665 5.344 1.00 0.00 PROT H ATOM 935 CA VAL P 68 -4.955 -2.437 4.828 1.00 0.00 PROT C ATOM 936 HA VAL P 68 -4.363 -3.271 4.474 1.00 0.00 PROT H ATOM 937 CB VAL P 68 -5.506 -1.717 3.593 1.00 0.00 PROT C ATOM 938 HB VAL P 68 -6.205 -0.921 3.950 1.00 0.00 PROT H ATOM 939 CG1 VAL P 68 -4.414 -1.048 2.754 1.00 0.00 PROT C ATOM 940 HG11 VAL P 68 -4.857 -0.574 1.852 1.00 0.00 PROT H ATOM 941 HG12 VAL P 68 -3.891 -0.251 3.322 1.00 0.00 PROT H ATOM 942 HG13 VAL P 68 -3.665 -1.796 2.416 1.00 0.00 PROT H ATOM 943 CG2 VAL P 68 -6.362 -2.608 2.702 1.00 0.00 PROT C ATOM 944 HG21 VAL P 68 -6.703 -2.052 1.803 1.00 0.00 PROT H ATOM 945 HG22 VAL P 68 -5.783 -3.495 2.366 1.00 0.00 PROT H ATOM 946 HG23 VAL P 68 -7.266 -2.964 3.239 1.00 0.00 PROT H ATOM 947 C VAL P 68 -4.045 -1.563 5.693 1.00 0.00 PROT C ATOM 948 O VAL P 68 -2.830 -1.495 5.512 1.00 0.00 PROT O ATOM 949 N ALA P 69 -4.574 -0.841 6.636 1.00 0.00 PROT N ATOM 950 HN ALA P 69 -5.566 -0.939 6.705 1.00 0.00 PROT H ATOM 951 CA ALA P 69 -3.972 0.068 7.588 1.00 0.00 PROT C ATOM 952 HA ALA P 69 -3.460 0.865 7.061 1.00 0.00 PROT H ATOM 953 CB ALA P 69 -5.066 0.617 8.521 1.00 0.00 PROT C ATOM 954 HB1 ALA P 69 -5.827 1.162 7.923 1.00 0.00 PROT H ATOM 955 HB2 ALA P 69 -5.582 -0.207 9.060 1.00 0.00 PROT H ATOM 956 HB3 ALA P 69 -4.648 1.323 9.271 1.00 0.00 PROT H ATOM 957 C ALA P 69 -2.924 -0.608 8.472 1.00 0.00 PROT C ATOM 958 O ALA P 69 -1.824 -0.135 8.756 1.00 0.00 PROT O ATOM 959 N GLY P 70 -3.295 -1.765 8.937 1.00 0.00 PROT N ATOM 960 HN GLY P 70 -4.181 -2.115 8.637 1.00 0.00 PROT H ATOM 961 CA GLY P 70 -2.569 -2.609 9.844 1.00 0.00 PROT C ATOM 962 HA1 GLY P 70 -3.271 -3.365 10.168 1.00 0.00 PROT H ATOM 963 HA2 GLY P 70 -2.215 -1.962 10.636 1.00 0.00 PROT H ATOM 964 C GLY P 70 -1.366 -3.312 9.242 1.00 0.00 PROT C ATOM 965 O GLY P 70 -0.520 -3.623 10.088 1.00 0.00 PROT O ATOM 966 N THR P 71 -1.405 -3.530 7.949 1.00 0.00 PROT N ATOM 967 HN THR P 71 -2.192 -3.253 7.399 1.00 0.00 PROT H ATOM 968 CA THR P 71 -0.349 -4.174 7.195 1.00 0.00 PROT C ATOM 969 HA THR P 71 0.062 -4.987 7.778 1.00 0.00 PROT H ATOM 970 CB THR P 71 -0.643 -4.518 5.726 1.00 0.00 PROT C ATOM 971 HB THR P 71 -1.129 -3.613 5.287 1.00 0.00 PROT H ATOM 972 OG1 THR P 71 -1.572 -5.587 5.668 1.00 0.00 PROT O ATOM 973 HG1 THR P 71 -1.705 -5.761 4.730 1.00 0.00 PROT H ATOM 974 CG2 THR P 71 0.582 -4.924 4.923 1.00 0.00 PROT C ATOM 975 HG21 THR P 71 0.327 -5.049 3.849 1.00 0.00 PROT H ATOM 976 HG22 THR P 71 1.370 -4.145 4.998 1.00 0.00 PROT H ATOM 977 HG23 THR P 71 1.004 -5.883 5.294 1.00 0.00 PROT H ATOM 978 C THR P 71 0.734 -3.093 7.131 1.00 0.00 PROT C ATOM 979 O THR P 71 1.900 -3.476 7.036 1.00 0.00 PROT O ATOM 980 N VAL P 72 0.244 -1.851 7.094 1.00 0.00 PROT N ATOM 981 HN VAL P 72 -0.702 -1.541 7.143 1.00 0.00 PROT H ATOM 982 CA VAL P 72 1.250 -0.750 6.959 1.00 0.00 PROT C ATOM 983 HA VAL P 72 2.053 -1.106 6.326 1.00 0.00 PROT H ATOM 984 CB VAL P 72 0.740 0.479 6.198 1.00 0.00 PROT C ATOM 985 HB VAL P 72 -0.024 0.981 6.841 1.00 0.00 PROT H ATOM 986 CG1 VAL P 72 1.830 1.510 5.882 1.00 0.00 PROT C ATOM 987 HG11 VAL P 72 1.404 2.354 5.298 1.00 0.00 PROT H ATOM 988 HG12 VAL P 72 2.271 1.937 6.807 1.00 0.00 PROT H ATOM 989 HG13 VAL P 72 2.643 1.050 5.280 1.00 0.00 PROT H ATOM 990 CG2 VAL P 72 -0.024 0.165 4.931 1.00 0.00 PROT C ATOM 991 HG21 VAL P 72 -0.327 1.100 4.413 1.00 0.00 PROT H ATOM 992 HG22 VAL P 72 0.603 -0.433 4.235 1.00 0.00 PROT H ATOM 993 HG23 VAL P 72 -0.947 -0.411 5.151 1.00 0.00 PROT H ATOM 994 C VAL P 72 1.856 -0.426 8.334 1.00 0.00 PROT C ATOM 995 O VAL P 72 3.093 -0.426 8.454 1.00 0.00 PROT O ATOM 996 N ALA P 73 0.977 -0.214 9.291 1.00 0.00 PROT N ATOM 997 HN ALA P 73 -0.013 -0.278 9.169 1.00 0.00 PROT H ATOM 998 CA ALA P 73 1.418 0.137 10.626 1.00 0.00 PROT C ATOM 999 HA ALA P 73 2.492 -0.008 10.632 1.00 0.00 PROT H ATOM 1000 CB ALA P 73 1.190 1.637 10.801 1.00 0.00 PROT C ATOM 1001 HB1 ALA P 73 1.628 2.184 9.939 1.00 0.00 PROT H ATOM 1002 HB2 ALA P 73 0.104 1.874 10.840 1.00 0.00 PROT H ATOM 1003 HB3 ALA P 73 1.669 2.018 11.728 1.00 0.00 PROT H ATOM 1004 C ALA P 73 0.883 -0.595 11.828 1.00 0.00 PROT C ATOM 1005 O ALA P 73 1.036 0.079 12.879 1.00 0.00 PROT O ATOM 1006 N ALA P 74 0.392 -1.809 11.762 1.00 0.00 PROT N ATOM 1007 HN ALA P 74 0.275 -2.362 10.938 1.00 0.00 PROT H ATOM 1008 CA ALA P 74 -0.047 -2.457 13.038 1.00 0.00 PROT C ATOM 1009 HA ALA P 74 -0.913 -1.996 13.499 1.00 0.00 PROT H ATOM 1010 CB ALA P 74 -0.414 -3.886 12.750 1.00 0.00 PROT C ATOM 1011 HB1 ALA P 74 -1.315 -3.916 12.101 1.00 0.00 PROT H ATOM 1012 HB2 ALA P 74 0.409 -4.410 12.217 1.00 0.00 PROT H ATOM 1013 HB3 ALA P 74 -0.644 -4.445 13.682 1.00 0.00 PROT H ATOM 1014 C ALA P 74 1.138 -2.189 13.976 1.00 0.00 PROT C ATOM 1015 O ALA P 74 2.330 -2.466 13.690 1.00 0.00 PROT O ATOM 1016 N LEU P 75 0.856 -1.517 15.086 1.00 0.00 PROT N ATOM 1017 HN LEU P 75 -0.072 -1.241 15.327 1.00 0.00 PROT H ATOM 1018 CA LEU P 75 1.884 -1.113 16.069 1.00 0.00 PROT C ATOM 1019 HA LEU P 75 2.483 -0.354 15.582 1.00 0.00 PROT H ATOM 1020 CB LEU P 75 1.158 -0.612 17.320 1.00 0.00 PROT C ATOM 1021 HB1 LEU P 75 0.261 -1.258 17.460 1.00 0.00 PROT H ATOM 1022 HB2 LEU P 75 1.805 -0.787 18.208 1.00 0.00 PROT H ATOM 1023 CG LEU P 75 0.648 0.814 17.423 1.00 0.00 PROT C ATOM 1024 HG LEU P 75 -0.004 1.024 16.541 1.00 0.00 PROT H ATOM 1025 CD1 LEU P 75 -0.173 0.906 18.690 1.00 0.00 PROT C ATOM 1026 HD11 LEU P 75 -0.535 1.945 18.845 1.00 0.00 PROT H ATOM 1027 HD12 LEU P 75 -1.056 0.233 18.634 1.00 0.00 PROT H ATOM 1028 HD13 LEU P 75 0.435 0.615 19.573 1.00 0.00 PROT H ATOM 1029 CD2 LEU P 75 1.769 1.830 17.429 1.00 0.00 PROT C ATOM 1030 HD21 LEU P 75 1.356 2.860 17.486 1.00 0.00 PROT H ATOM 1031 HD22 LEU P 75 2.445 1.690 18.297 1.00 0.00 PROT H ATOM 1032 HD23 LEU P 75 2.372 1.749 16.499 1.00 0.00 PROT H ATOM 1033 C LEU P 75 2.815 -2.262 16.447 1.00 0.00 PROT C ATOM 1034 O LEU P 75 2.392 -3.419 16.420 1.00 0.00 PROT O ATOM 1035 N ASP P 76 4.003 -1.984 16.839 1.00 0.00 PROT N ATOM 1036 HN ASP P 76 4.238 -1.016 16.829 1.00 0.00 PROT H ATOM 1037 CA ASP P 76 5.091 -2.825 17.303 1.00 0.00 PROT C ATOM 1038 HA ASP P 76 4.925 -3.852 16.999 1.00 0.00 PROT H ATOM 1039 CB ASP P 76 6.447 -2.293 16.882 1.00 0.00 PROT C ATOM 1040 HB1 ASP P 76 6.349 -1.775 15.907 1.00 0.00 PROT H ATOM 1041 HB2 ASP P 76 6.830 -1.567 17.626 1.00 0.00 PROT H ATOM 1042 CG ASP P 76 7.690 -3.082 16.621 1.00 0.00 PROT C ATOM 1043 OD1 ASP P 76 8.358 -2.858 15.582 1.00 0.00 PROT O ATOM 1044 OD2 ASP P 76 8.109 -3.973 17.401 1.00 0.00 PROT O ATOM 1045 C ASP P 76 4.955 -2.788 18.838 1.00 0.00 PROT C ATOM 1046 O ASP P 76 5.513 -1.865 19.471 1.00 0.00 PROT O ATOM 1047 N ASN P 77 4.217 -3.708 19.381 1.00 0.00 PROT N ATOM 1048 HN ASN P 77 3.779 -4.366 18.770 1.00 0.00 PROT H ATOM 1049 CA ASN P 77 3.934 -3.917 20.797 1.00 0.00 PROT C ATOM 1050 HA ASN P 77 4.678 -3.363 21.360 1.00 0.00 PROT H ATOM 1051 CB ASN P 77 2.567 -3.397 21.211 1.00 0.00 PROT C ATOM 1052 HB1 ASN P 77 2.399 -3.688 22.271 1.00 0.00 PROT H ATOM 1053 HB2 ASN P 77 2.545 -2.289 21.163 1.00 0.00 PROT H ATOM 1054 CG ASN P 77 1.296 -3.835 20.528 1.00 0.00 PROT C ATOM 1055 OD1 ASN P 77 1.124 -4.815 19.782 1.00 0.00 PROT O ATOM 1056 ND2 ASN P 77 0.218 -3.061 20.720 1.00 0.00 PROT N ATOM 1057 HD21 ASN P 77 -0.632 -3.344 20.284 1.00 0.00 PROT H ATOM 1058 HD22 ASN P 77 0.279 -2.257 21.303 1.00 0.00 PROT H ATOM 1059 C ASN P 77 4.135 -5.416 21.106 1.00 0.00 PROT C ATOM 1060 O ASN P 77 5.042 -6.097 20.589 1.00 0.00 PROT O ATOM 1061 N THR P 78 3.275 -5.966 21.909 1.00 0.00 PROT N ATOM 1062 HN THR P 78 2.540 -5.349 22.190 1.00 0.00 PROT H ATOM 1063 CA THR P 78 3.182 -7.287 22.466 1.00 0.00 PROT C ATOM 1064 HA THR P 78 4.001 -7.815 21.996 1.00 0.00 PROT H ATOM 1065 CB THR P 78 3.334 -7.007 23.994 1.00 0.00 PROT C ATOM 1066 HB THR P 78 4.296 -6.452 24.113 1.00 0.00 PROT H ATOM 1067 OG1 THR P 78 3.442 -8.256 24.642 1.00 0.00 PROT O ATOM 1068 HG1 THR P 78 3.523 -8.052 25.580 1.00 0.00 PROT H ATOM 1069 CG2 THR P 78 2.217 -6.206 24.660 1.00 0.00 PROT C ATOM 1070 HG21 THR P 78 2.476 -5.966 25.713 1.00 0.00 PROT H ATOM 1071 HG22 THR P 78 2.054 -5.248 24.122 1.00 0.00 PROT H ATOM 1072 HG23 THR P 78 1.261 -6.773 24.658 1.00 0.00 PROT H ATOM 1073 C THR P 78 1.924 -8.078 22.156 1.00 0.00 PROT C ATOM 1074 O THR P 78 1.605 -9.080 22.810 1.00 0.00 PROT O ATOM 1075 N THR P 79 1.175 -7.705 21.137 1.00 0.00 PROT N ATOM 1076 HN THR P 79 1.423 -6.944 20.539 1.00 0.00 PROT H ATOM 1077 CA THR P 79 -0.091 -8.366 20.781 1.00 0.00 PROT C ATOM 1078 HA THR P 79 0.118 -9.427 20.786 1.00 0.00 PROT H ATOM 1079 CB THR P 79 -1.070 -7.694 21.790 1.00 0.00 PROT C ATOM 1080 HB THR P 79 -1.200 -8.422 22.627 1.00 0.00 PROT H ATOM 1081 OG1 THR P 79 -2.302 -7.531 21.127 1.00 0.00 PROT O ATOM 1082 HG1 THR P 79 -2.883 -7.105 21.766 1.00 0.00 PROT H ATOM 1083 CG2 THR P 79 -0.542 -6.296 22.084 1.00 0.00 PROT C ATOM 1084 HG21 THR P 79 -1.137 -5.809 22.885 1.00 0.00 PROT H ATOM 1085 HG22 THR P 79 0.514 -6.345 22.425 1.00 0.00 PROT H ATOM 1086 HG23 THR P 79 -0.586 -5.653 21.179 1.00 0.00 PROT H ATOM 1087 C THR P 79 -0.516 -8.016 19.364 1.00 0.00 PROT C ATOM 1088 O THR P 79 0.086 -7.103 18.799 1.00 0.00 PROT O ATOM 1089 N GLY P 80 -1.554 -8.699 18.909 1.00 0.00 PROT N ATOM 1090 HN GLY P 80 -2.004 -9.396 19.466 1.00 0.00 PROT H ATOM 1091 CA GLY P 80 -2.118 -8.493 17.577 1.00 0.00 PROT C ATOM 1092 HA1 GLY P 80 -2.327 -7.441 17.436 1.00 0.00 PROT H ATOM 1093 HA2 GLY P 80 -2.976 -9.138 17.443 1.00 0.00 PROT H ATOM 1094 C GLY P 80 -1.051 -8.907 16.555 1.00 0.00 PROT C ATOM 1095 O GLY P 80 -0.385 -9.951 16.709 1.00 0.00 PROT O ATOM 1096 N VAL P 81 -0.947 -8.041 15.559 1.00 0.00 PROT N ATOM 1097 HN VAL P 81 -1.495 -7.215 15.455 1.00 0.00 PROT H ATOM 1098 CA VAL P 81 0.038 -8.257 14.487 1.00 0.00 PROT C ATOM 1099 HA VAL P 81 0.496 -9.225 14.648 1.00 0.00 PROT H ATOM 1100 CB VAL P 81 -0.689 -8.357 13.117 1.00 0.00 PROT C ATOM 1101 HB VAL P 81 0.068 -8.160 12.318 1.00 0.00 PROT H ATOM 1102 CG1 VAL P 81 -1.297 -9.728 12.857 1.00 0.00 PROT C ATOM 1103 HG11 VAL P 81 -1.836 -9.733 11.885 1.00 0.00 PROT H ATOM 1104 HG12 VAL P 81 -0.520 -10.518 12.808 1.00 0.00 PROT H ATOM 1105 HG13 VAL P 81 -2.024 -9.993 13.654 1.00 0.00 PROT H ATOM 1106 CG2 VAL P 81 -1.655 -7.205 12.879 1.00 0.00 PROT C ATOM 1107 HG21 VAL P 81 -2.185 -7.330 11.911 1.00 0.00 PROT H ATOM 1108 HG22 VAL P 81 -2.414 -7.158 13.689 1.00 0.00 PROT H ATOM 1109 HG23 VAL P 81 -1.121 -6.233 12.846 1.00 0.00 PROT H ATOM 1110 C VAL P 81 1.143 -7.208 14.567 1.00 0.00 PROT C ATOM 1111 O VAL P 81 1.442 -6.555 15.581 1.00 0.00 PROT O ATOM 1112 N LEU P 82 1.762 -6.989 13.414 1.00 0.00 PROT N ATOM 1113 HN LEU P 82 1.482 -7.471 12.586 1.00 0.00 PROT H ATOM 1114 CA LEU P 82 2.869 -6.067 13.223 1.00 0.00 PROT C ATOM 1115 HA LEU P 82 2.670 -5.197 13.836 1.00 0.00 PROT H ATOM 1116 CB LEU P 82 4.155 -6.881 13.558 1.00 0.00 PROT C ATOM 1117 HB1 LEU P 82 4.045 -7.255 14.602 1.00 0.00 PROT H ATOM 1118 HB2 LEU P 82 4.190 -7.785 12.910 1.00 0.00 PROT H ATOM 1119 CG LEU P 82 5.456 -6.089 13.451 1.00 0.00 PROT C ATOM 1120 HG LEU P 82 5.189 -5.198 12.833 1.00 0.00 PROT H ATOM 1121 CD1 LEU P 82 5.809 -5.603 14.820 1.00 0.00 PROT C ATOM 1122 HD11 LEU P 82 6.778 -5.059 14.803 1.00 0.00 PROT H ATOM 1123 HD12 LEU P 82 5.028 -4.912 15.204 1.00 0.00 PROT H ATOM 1124 HD13 LEU P 82 5.902 -6.455 15.527 1.00 0.00 PROT H ATOM 1125 CD2 LEU P 82 6.557 -6.828 12.748 1.00 0.00 PROT C ATOM 1126 HD21 LEU P 82 7.468 -6.195 12.686 1.00 0.00 PROT H ATOM 1127 HD22 LEU P 82 6.831 -7.760 13.282 1.00 0.00 PROT H ATOM 1128 HD23 LEU P 82 6.248 -7.095 11.714 1.00 0.00 PROT H ATOM 1129 C LEU P 82 2.922 -5.608 11.780 1.00 0.00 PROT C ATOM 1130 O LEU P 82 3.087 -6.452 10.886 1.00 0.00 PROT O ATOM 1131 N GLY P 83 2.781 -4.304 11.631 1.00 0.00 PROT N ATOM 1132 HN GLY P 83 2.654 -3.724 12.435 1.00 0.00 PROT H ATOM 1133 CA GLY P 83 2.795 -3.604 10.339 1.00 0.00 PROT C ATOM 1134 HA1 GLY P 83 2.403 -2.607 10.486 1.00 0.00 PROT H ATOM 1135 HA2 GLY P 83 2.246 -4.196 9.618 1.00 0.00 PROT H ATOM 1136 C GLY P 83 4.236 -3.477 9.845 1.00 0.00 PROT C ATOM 1137 O GLY P 83 5.173 -3.796 10.577 1.00 0.00 PROT O ATOM 1138 N VAL P 84 4.353 -3.061 8.605 1.00 0.00 PROT N ATOM 1139 HN VAL P 84 3.506 -2.829 8.133 1.00 0.00 PROT H ATOM 1140 CA VAL P 84 5.549 -2.886 7.809 1.00 0.00 PROT C ATOM 1141 HA VAL P 84 6.083 -3.826 7.879 1.00 0.00 PROT H ATOM 1142 CB VAL P 84 5.091 -2.669 6.338 1.00 0.00 PROT C ATOM 1143 HB VAL P 84 4.222 -1.966 6.355 1.00 0.00 PROT H ATOM 1144 CG1 VAL P 84 6.174 -2.055 5.449 1.00 0.00 PROT C ATOM 1145 HG11 VAL P 84 5.807 -1.959 4.404 1.00 0.00 PROT H ATOM 1146 HG12 VAL P 84 6.460 -1.040 5.793 1.00 0.00 PROT H ATOM 1147 HG13 VAL P 84 7.082 -2.696 5.437 1.00 0.00 PROT H ATOM 1148 CG2 VAL P 84 4.599 -3.948 5.676 1.00 0.00 PROT C ATOM 1149 HG21 VAL P 84 4.319 -3.760 4.618 1.00 0.00 PROT H ATOM 1150 HG22 VAL P 84 5.391 -4.727 5.695 1.00 0.00 PROT H ATOM 1151 HG23 VAL P 84 3.703 -4.349 6.193 1.00 0.00 PROT H ATOM 1152 C VAL P 84 6.497 -1.782 8.289 1.00 0.00 PROT C ATOM 1153 O VAL P 84 7.720 -1.909 8.407 1.00 0.00 PROT O ATOM 1154 N ALA P 85 5.906 -0.653 8.550 1.00 0.00 PROT N ATOM 1155 HN ALA P 85 4.913 -0.643 8.435 1.00 0.00 PROT H ATOM 1156 CA ALA P 85 6.503 0.617 8.994 1.00 0.00 PROT C ATOM 1157 HA ALA P 85 7.503 0.506 9.397 1.00 0.00 PROT H ATOM 1158 CB ALA P 85 6.558 1.561 7.804 1.00 0.00 PROT C ATOM 1159 HB1 ALA P 85 7.260 1.160 7.042 1.00 0.00 PROT H ATOM 1160 HB2 ALA P 85 5.558 1.662 7.328 1.00 0.00 PROT H ATOM 1161 HB3 ALA P 85 6.913 2.572 8.099 1.00 0.00 PROT H ATOM 1162 C ALA P 85 5.614 1.084 10.162 1.00 0.00 PROT C ATOM 1163 O ALA P 85 4.802 1.999 10.066 1.00 0.00 PROT O ATOM 1164 N PRO P 86 5.813 0.371 11.254 1.00 0.00 PROT N ATOM 1165 CD PRO P 86 6.797 -0.778 11.387 1.00 0.00 PROT C ATOM 1166 HD1 PRO P 86 6.385 -1.505 10.651 1.00 0.00 PROT H ATOM 1167 HD2 PRO P 86 7.873 -0.579 11.177 1.00 0.00 PROT H ATOM 1168 CA PRO P 86 5.084 0.557 12.498 1.00 0.00 PROT C ATOM 1169 HA PRO P 86 4.024 0.524 12.275 1.00 0.00 PROT H ATOM 1170 CB PRO P 86 5.325 -0.741 13.298 1.00 0.00 PROT C ATOM 1171 HB1 PRO P 86 4.581 -1.506 12.981 1.00 0.00 PROT H ATOM 1172 HB2 PRO P 86 5.242 -0.591 14.393 1.00 0.00 PROT H ATOM 1173 CG PRO P 86 6.633 -1.319 12.803 1.00 0.00 PROT C ATOM 1174 HG1 PRO P 86 6.718 -2.409 12.980 1.00 0.00 PROT H ATOM 1175 HG2 PRO P 86 7.479 -0.795 13.305 1.00 0.00 PROT H ATOM 1176 C PRO P 86 5.389 1.822 13.264 1.00 0.00 PROT C ATOM 1177 O PRO P 86 4.897 1.903 14.408 1.00 0.00 PROT O ATOM 1178 N SER P 87 6.114 2.780 12.730 1.00 0.00 PROT N ATOM 1179 HN SER P 87 6.546 2.820 11.829 1.00 0.00 PROT H ATOM 1180 CA SER P 87 6.341 4.001 13.576 1.00 0.00 PROT C ATOM 1181 HA SER P 87 5.765 3.861 14.481 1.00 0.00 PROT H ATOM 1182 CB SER P 87 7.793 4.079 13.991 1.00 0.00 PROT C ATOM 1183 HB1 SER P 87 8.405 4.254 13.077 1.00 0.00 PROT H ATOM 1184 HB2 SER P 87 7.957 4.949 14.667 1.00 0.00 PROT H ATOM 1185 OG SER P 87 8.197 2.859 14.598 1.00 0.00 PROT O ATOM 1186 HG1 SER P 87 9.162 2.869 14.640 1.00 0.00 PROT H ATOM 1187 C SER P 87 5.788 5.230 12.873 1.00 0.00 PROT C ATOM 1188 O SER P 87 5.729 6.362 13.376 1.00 0.00 PROT O ATOM 1189 N VAL P 88 5.348 4.972 11.669 1.00 0.00 PROT N ATOM 1190 HN VAL P 88 5.416 4.018 11.390 1.00 0.00 PROT H ATOM 1191 CA VAL P 88 4.774 5.851 10.667 1.00 0.00 PROT C ATOM 1192 HA VAL P 88 5.578 6.531 10.414 1.00 0.00 PROT H ATOM 1193 CB VAL P 88 4.378 4.916 9.475 1.00 0.00 PROT C ATOM 1194 HB VAL P 88 4.851 3.919 9.656 1.00 0.00 PROT H ATOM 1195 CG1 VAL P 88 2.891 4.686 9.322 1.00 0.00 PROT C ATOM 1196 HG11 VAL P 88 2.689 4.047 8.435 1.00 0.00 PROT H ATOM 1197 HG12 VAL P 88 2.463 4.169 10.206 1.00 0.00 PROT H ATOM 1198 HG13 VAL P 88 2.357 5.650 9.180 1.00 0.00 PROT H ATOM 1199 CG2 VAL P 88 5.069 5.447 8.219 1.00 0.00 PROT C ATOM 1200 HG21 VAL P 88 4.789 4.841 7.331 1.00 0.00 PROT H ATOM 1201 HG22 VAL P 88 4.776 6.502 8.029 1.00 0.00 PROT H ATOM 1202 HG23 VAL P 88 6.173 5.405 8.320 1.00 0.00 PROT H ATOM 1203 C VAL P 88 3.580 6.689 11.070 1.00 0.00 PROT C ATOM 1204 O VAL P 88 2.713 6.213 11.818 1.00 0.00 PROT O ATOM 1205 N SER P 89 3.559 7.892 10.530 1.00 0.00 PROT N ATOM 1206 HN SER P 89 4.277 8.250 9.933 1.00 0.00 PROT H ATOM 1207 CA SER P 89 2.435 8.842 10.771 1.00 0.00 PROT C ATOM 1208 HA SER P 89 2.122 8.712 11.799 1.00 0.00 PROT H ATOM 1209 CB SER P 89 2.918 10.232 10.388 1.00 0.00 PROT C ATOM 1210 HB1 SER P 89 3.723 10.121 9.626 1.00 0.00 PROT H ATOM 1211 HB2 SER P 89 2.095 10.811 9.912 1.00 0.00 PROT H ATOM 1212 OG SER P 89 3.461 11.010 11.417 1.00 0.00 PROT O ATOM 1213 HG1 SER P 89 3.919 11.751 11.001 1.00 0.00 PROT H ATOM 1214 C SER P 89 1.246 8.437 9.874 1.00 0.00 PROT C ATOM 1215 O SER P 89 1.248 8.833 8.669 1.00 0.00 PROT O ATOM 1216 N LEU P 90 0.285 7.704 10.408 1.00 0.00 PROT N ATOM 1217 HN LEU P 90 0.326 7.428 11.366 1.00 0.00 PROT H ATOM 1218 CA LEU P 90 -0.903 7.228 9.695 1.00 0.00 PROT C ATOM 1219 HA LEU P 90 -0.522 7.123 8.687 1.00 0.00 PROT H ATOM 1220 CB LEU P 90 -1.258 5.842 10.311 1.00 0.00 PROT C ATOM 1221 HB1 LEU P 90 -0.301 5.287 10.445 1.00 0.00 PROT H ATOM 1222 HB2 LEU P 90 -1.670 5.995 11.333 1.00 0.00 PROT H ATOM 1223 CG LEU P 90 -2.199 4.954 9.518 1.00 0.00 PROT C ATOM 1224 HG LEU P 90 -3.058 5.622 9.267 1.00 0.00 PROT H ATOM 1225 CD1 LEU P 90 -1.485 4.502 8.247 1.00 0.00 PROT C ATOM 1226 HD11 LEU P 90 -2.129 3.809 7.663 1.00 0.00 PROT H ATOM 1227 HD12 LEU P 90 -1.239 5.375 7.605 1.00 0.00 PROT H ATOM 1228 HD13 LEU P 90 -0.541 3.972 8.495 1.00 0.00 PROT H ATOM 1229 CD2 LEU P 90 -2.743 3.744 10.229 1.00 0.00 PROT C ATOM 1230 HD21 LEU P 90 -3.431 3.181 9.562 1.00 0.00 PROT H ATOM 1231 HD22 LEU P 90 -1.934 3.052 10.538 1.00 0.00 PROT H ATOM 1232 HD23 LEU P 90 -3.309 4.048 11.136 1.00 0.00 PROT H ATOM 1233 C LEU P 90 -2.192 8.050 9.618 1.00 0.00 PROT C ATOM 1234 O LEU P 90 -2.998 8.190 10.552 1.00 0.00 PROT O ATOM 1235 N TYR P 91 -2.497 8.577 8.452 1.00 0.00 PROT N ATOM 1236 HN TYR P 91 -1.859 8.438 7.697 1.00 0.00 PROT H ATOM 1237 CA TYR P 91 -3.676 9.358 8.111 1.00 0.00 PROT C ATOM 1238 HA TYR P 91 -4.180 9.577 9.044 1.00 0.00 PROT H ATOM 1239 CB TYR P 91 -3.359 10.672 7.342 1.00 0.00 PROT C ATOM 1240 HB1 TYR P 91 -2.816 10.423 6.404 1.00 0.00 PROT H ATOM 1241 HB2 TYR P 91 -4.297 11.193 7.051 1.00 0.00 PROT H ATOM 1242 CG TYR P 91 -2.474 11.596 8.153 1.00 0.00 PROT C ATOM 1243 CD1 TYR P 91 -1.107 11.384 8.302 1.00 0.00 PROT C ATOM 1244 HD1 TYR P 91 -0.638 10.541 7.814 1.00 0.00 PROT H ATOM 1245 CE1 TYR P 91 -0.330 12.237 9.096 1.00 0.00 PROT C ATOM 1246 HE1 TYR P 91 0.731 12.069 9.207 1.00 0.00 PROT H ATOM 1247 CZ TYR P 91 -0.929 13.304 9.753 1.00 0.00 PROT C ATOM 1248 OH TYR P 91 -0.219 14.193 10.509 1.00 0.00 PROT O ATOM 1249 HH TYR P 91 -0.828 14.875 10.800 1.00 0.00 PROT H ATOM 1250 CD2 TYR P 91 -3.035 12.677 8.820 1.00 0.00 PROT C ATOM 1251 HD2 TYR P 91 -4.101 12.850 8.767 1.00 0.00 PROT H ATOM 1252 CE2 TYR P 91 -2.283 13.549 9.617 1.00 0.00 PROT C ATOM 1253 HE2 TYR P 91 -2.771 14.371 10.120 1.00 0.00 PROT H ATOM 1254 C TYR P 91 -4.654 8.545 7.247 1.00 0.00 PROT C ATOM 1255 O TYR P 91 -4.203 8.132 6.174 1.00 0.00 PROT O ATOM 1256 N ALA P 92 -5.880 8.385 7.665 1.00 0.00 PROT N ATOM 1257 HN ALA P 92 -6.113 8.782 8.552 1.00 0.00 PROT H ATOM 1258 CA ALA P 92 -6.957 7.694 6.992 1.00 0.00 PROT C ATOM 1259 HA ALA P 92 -6.562 7.012 6.248 1.00 0.00 PROT H ATOM 1260 CB ALA P 92 -7.913 6.909 7.919 1.00 0.00 PROT C ATOM 1261 HB1 ALA P 92 -7.342 6.134 8.474 1.00 0.00 PROT H ATOM 1262 HB2 ALA P 92 -8.389 7.583 8.665 1.00 0.00 PROT H ATOM 1263 HB3 ALA P 92 -8.714 6.398 7.343 1.00 0.00 PROT H ATOM 1264 C ALA P 92 -7.878 8.677 6.237 1.00 0.00 PROT C ATOM 1265 O ALA P 92 -8.563 9.515 6.803 1.00 0.00 PROT O ATOM 1266 N VAL P 93 -7.913 8.498 4.957 1.00 0.00 PROT N ATOM 1267 HN VAL P 93 -7.347 7.774 4.572 1.00 0.00 PROT H ATOM 1268 CA VAL P 93 -8.700 9.243 3.968 1.00 0.00 PROT C ATOM 1269 HA VAL P 93 -9.096 10.128 4.450 1.00 0.00 PROT H ATOM 1270 CB VAL P 93 -7.724 9.586 2.823 1.00 0.00 PROT C ATOM 1271 HB VAL P 93 -7.259 8.630 2.479 1.00 0.00 PROT H ATOM 1272 CG1 VAL P 93 -8.439 10.230 1.645 1.00 0.00 PROT C ATOM 1273 HG11 VAL P 93 -7.709 10.502 0.853 1.00 0.00 PROT H ATOM 1274 HG12 VAL P 93 -9.180 9.541 1.189 1.00 0.00 PROT H ATOM 1275 HG13 VAL P 93 -8.962 11.157 1.962 1.00 0.00 PROT H ATOM 1276 CG2 VAL P 93 -6.536 10.414 3.353 1.00 0.00 PROT C ATOM 1277 HG21 VAL P 93 -5.853 10.696 2.524 1.00 0.00 PROT H ATOM 1278 HG22 VAL P 93 -6.896 11.345 3.842 1.00 0.00 PROT H ATOM 1279 HG23 VAL P 93 -5.944 9.838 4.094 1.00 0.00 PROT H ATOM 1280 C VAL P 93 -9.890 8.394 3.518 1.00 0.00 PROT C ATOM 1281 O VAL P 93 -9.700 7.488 2.686 1.00 0.00 PROT O ATOM 1282 N LYS P 94 -11.065 8.674 4.058 1.00 0.00 PROT N ATOM 1283 HN LYS P 94 -11.250 9.406 4.712 1.00 0.00 PROT H ATOM 1284 CA LYS P 94 -12.259 7.837 3.680 1.00 0.00 PROT C ATOM 1285 HA LYS P 94 -11.947 6.800 3.678 1.00 0.00 PROT H ATOM 1286 CB LYS P 94 -13.405 7.929 4.673 1.00 0.00 PROT C ATOM 1287 HB1 LYS P 94 -12.957 7.914 5.693 1.00 0.00 PROT H ATOM 1288 HB2 LYS P 94 -13.900 8.920 4.564 1.00 0.00 PROT H ATOM 1289 CG LYS P 94 -14.337 6.737 4.438 1.00 0.00 PROT C ATOM 1290 HG1 LYS P 94 -14.893 6.892 3.486 1.00 0.00 PROT H ATOM 1291 HG2 LYS P 94 -13.723 5.815 4.318 1.00 0.00 PROT H ATOM 1292 CD LYS P 94 -15.366 6.499 5.533 1.00 0.00 PROT C ATOM 1293 HD1 LYS P 94 -15.743 7.487 5.882 1.00 0.00 PROT H ATOM 1294 HD2 LYS P 94 -16.228 5.952 5.086 1.00 0.00 PROT H ATOM 1295 CE LYS P 94 -14.728 5.702 6.669 1.00 0.00 PROT C ATOM 1296 HE1 LYS P 94 -14.796 4.610 6.466 1.00 0.00 PROT H ATOM 1297 HE2 LYS P 94 -13.655 5.972 6.781 1.00 0.00 PROT H ATOM 1298 NZ LYS P 94 -15.460 6.026 7.912 1.00 0.00 PROT N ATOM 1299 HZ1 LYS P 94 -15.054 5.499 8.712 1.00 0.00 PROT H ATOM 1300 HZ2 LYS P 94 -15.391 7.047 8.100 1.00 0.00 PROT H ATOM 1301 HZ3 LYS P 94 -16.461 5.766 7.801 1.00 0.00 PROT H ATOM 1302 C LYS P 94 -12.705 8.178 2.269 1.00 0.00 PROT C ATOM 1303 O LYS P 94 -13.183 9.312 2.017 1.00 0.00 PROT O ATOM 1304 N VAL P 95 -12.455 7.220 1.381 1.00 0.00 PROT N ATOM 1305 HN VAL P 95 -12.044 6.336 1.589 1.00 0.00 PROT H ATOM 1306 CA VAL P 95 -12.788 7.417 -0.038 1.00 0.00 PROT C ATOM 1307 HA VAL P 95 -13.345 8.342 -0.121 1.00 0.00 PROT H ATOM 1308 CB VAL P 95 -11.636 7.665 -1.021 1.00 0.00 PROT C ATOM 1309 HB VAL P 95 -12.082 7.794 -2.038 1.00 0.00 PROT H ATOM 1310 CG1 VAL P 95 -10.798 8.901 -0.749 1.00 0.00 PROT C ATOM 1311 HG11 VAL P 95 -9.969 8.975 -1.486 1.00 0.00 PROT H ATOM 1312 HG12 VAL P 95 -11.399 9.830 -0.833 1.00 0.00 PROT H ATOM 1313 HG13 VAL P 95 -10.351 8.857 0.267 1.00 0.00 PROT H ATOM 1314 CG2 VAL P 95 -10.773 6.422 -1.254 1.00 0.00 PROT C ATOM 1315 HG21 VAL P 95 -9.929 6.652 -1.938 1.00 0.00 PROT H ATOM 1316 HG22 VAL P 95 -10.354 6.052 -0.293 1.00 0.00 PROT H ATOM 1317 HG23 VAL P 95 -11.364 5.603 -1.714 1.00 0.00 PROT H ATOM 1318 C VAL P 95 -13.697 6.287 -0.534 1.00 0.00 PROT C ATOM 1319 O VAL P 95 -14.055 6.345 -1.724 1.00 0.00 PROT O ATOM 1320 N LEU P 96 -14.080 5.368 0.324 1.00 0.00 PROT N ATOM 1321 HN LEU P 96 -13.820 5.298 1.285 1.00 0.00 PROT H ATOM 1322 CA LEU P 96 -15.008 4.287 -0.143 1.00 0.00 PROT C ATOM 1323 HA LEU P 96 -15.445 4.539 -1.101 1.00 0.00 PROT H ATOM 1324 CB LEU P 96 -14.341 2.941 -0.362 1.00 0.00 PROT C ATOM 1325 HB1 LEU P 96 -14.233 2.461 0.638 1.00 0.00 PROT H ATOM 1326 HB2 LEU P 96 -15.027 2.288 -0.945 1.00 0.00 PROT H ATOM 1327 CG LEU P 96 -12.968 2.856 -1.016 1.00 0.00 PROT C ATOM 1328 HG LEU P 96 -12.378 3.666 -0.524 1.00 0.00 PROT H ATOM 1329 CD1 LEU P 96 -12.317 1.499 -0.831 1.00 0.00 PROT C ATOM 1330 HD11 LEU P 96 -11.341 1.459 -1.361 1.00 0.00 PROT H ATOM 1331 HD12 LEU P 96 -12.138 1.295 0.246 1.00 0.00 PROT H ATOM 1332 HD13 LEU P 96 -12.965 0.694 -1.238 1.00 0.00 PROT H ATOM 1333 CD2 LEU P 96 -12.980 3.122 -2.492 1.00 0.00 PROT C ATOM 1334 HD21 LEU P 96 -11.949 3.063 -2.903 1.00 0.00 PROT H ATOM 1335 HD22 LEU P 96 -13.602 2.383 -3.036 1.00 0.00 PROT H ATOM 1336 HD23 LEU P 96 -13.380 4.138 -2.701 1.00 0.00 PROT H ATOM 1337 C LEU P 96 -16.112 4.367 0.901 1.00 0.00 PROT C ATOM 1338 O LEU P 96 -15.741 4.488 2.085 1.00 0.00 PROT O ATOM 1339 N ASN P 97 -17.334 4.393 0.426 1.00 0.00 PROT N ATOM 1340 HN ASN P 97 -17.481 4.357 -0.562 1.00 0.00 PROT H ATOM 1341 CA ASN P 97 -18.564 4.473 1.222 1.00 0.00 PROT C ATOM 1342 HA ASN P 97 -18.395 5.002 2.154 1.00 0.00 PROT H ATOM 1343 CB ASN P 97 -19.799 4.951 0.472 1.00 0.00 PROT C ATOM 1344 HB1 ASN P 97 -19.468 5.337 -0.517 1.00 0.00 PROT H ATOM 1345 HB2 ASN P 97 -20.488 4.103 0.284 1.00 0.00 PROT H ATOM 1346 CG ASN P 97 -20.742 6.041 0.908 1.00 0.00 PROT C ATOM 1347 OD1 ASN P 97 -20.767 7.212 0.409 1.00 0.00 PROT O ATOM 1348 ND2 ASN P 97 -21.656 5.782 1.860 1.00 0.00 PROT N ATOM 1349 HD21 ASN P 97 -22.272 6.522 2.117 1.00 0.00 PROT H ATOM 1350 HD22 ASN P 97 -21.718 4.872 2.257 1.00 0.00 PROT H ATOM 1351 C ASN P 97 -18.715 2.964 1.559 1.00 0.00 PROT C ATOM 1352 O ASN P 97 -18.683 2.178 0.590 1.00 0.00 PROT O ATOM 1353 N SER P 98 -18.876 2.657 2.802 1.00 0.00 PROT N ATOM 1354 HN SER P 98 -18.868 3.411 3.459 1.00 0.00 PROT H ATOM 1355 CA SER P 98 -19.070 1.360 3.396 1.00 0.00 PROT C ATOM 1356 HA SER P 98 -18.099 1.186 3.842 1.00 0.00 PROT H ATOM 1357 CB SER P 98 -20.147 1.429 4.500 1.00 0.00 PROT C ATOM 1358 HB1 SER P 98 -19.814 2.170 5.262 1.00 0.00 PROT H ATOM 1359 HB2 SER P 98 -21.109 1.800 4.080 1.00 0.00 PROT H ATOM 1360 OG SER P 98 -20.193 0.114 5.023 1.00 0.00 PROT O ATOM 1361 HG1 SER P 98 -20.682 0.156 5.854 1.00 0.00 PROT H ATOM 1362 C SER P 98 -19.408 0.137 2.556 1.00 0.00 PROT C ATOM 1363 O SER P 98 -18.877 -0.934 2.922 1.00 0.00 PROT O ATOM 1364 N SER P 99 -20.254 0.253 1.542 1.00 0.00 PROT N ATOM 1365 HN SER P 99 -20.744 1.074 1.250 1.00 0.00 PROT H ATOM 1366 CA SER P 99 -20.535 -0.940 0.724 1.00 0.00 PROT C ATOM 1367 HA SER P 99 -20.604 -1.789 1.391 1.00 0.00 PROT H ATOM 1368 CB SER P 99 -21.799 -0.974 -0.066 1.00 0.00 PROT C ATOM 1369 HB1 SER P 99 -22.146 0.075 -0.209 1.00 0.00 PROT H ATOM 1370 HB2 SER P 99 -21.612 -1.398 -1.079 1.00 0.00 PROT H ATOM 1371 OG SER P 99 -22.777 -1.711 0.658 1.00 0.00 PROT O ATOM 1372 HG1 SER P 99 -23.631 -1.532 0.244 1.00 0.00 PROT H ATOM 1373 C SER P 99 -19.313 -1.169 -0.183 1.00 0.00 PROT C ATOM 1374 O SER P 99 -19.403 -1.994 -1.108 1.00 0.00 PROT O ATOM 1375 N GLY P 100 -18.202 -0.500 0.142 1.00 0.00 PROT N ATOM 1376 HN GLY P 100 -18.198 0.159 0.893 1.00 0.00 PROT H ATOM 1377 CA GLY P 100 -16.950 -0.667 -0.544 1.00 0.00 PROT C ATOM 1378 HA1 GLY P 100 -16.988 -1.718 -0.795 1.00 0.00 PROT H ATOM 1379 HA2 GLY P 100 -16.244 -0.423 0.238 1.00 0.00 PROT H ATOM 1380 C GLY P 100 -16.555 0.092 -1.778 1.00 0.00 PROT C ATOM 1381 O GLY P 100 -15.352 0.070 -2.123 1.00 0.00 PROT O ATOM 1382 N SER P 101 -17.496 0.759 -2.391 1.00 0.00 PROT N ATOM 1383 HN SER P 101 -18.432 0.747 -2.039 1.00 0.00 PROT H ATOM 1384 CA SER P 101 -17.321 1.562 -3.596 1.00 0.00 PROT C ATOM 1385 HA SER P 101 -16.353 1.275 -3.986 1.00 0.00 PROT H ATOM 1386 CB SER P 101 -18.384 1.190 -4.620 1.00 0.00 PROT C ATOM 1387 HB1 SER P 101 -17.876 1.005 -5.594 1.00 0.00 PROT H ATOM 1388 HB2 SER P 101 -18.888 0.241 -4.328 1.00 0.00 PROT H ATOM 1389 OG SER P 101 -19.334 2.213 -4.809 1.00 0.00 PROT O ATOM 1390 HG1 SER P 101 -19.825 1.999 -5.612 1.00 0.00 PROT H ATOM 1391 C SER P 101 -17.275 3.064 -3.326 1.00 0.00 PROT C ATOM 1392 O SER P 101 -17.726 3.612 -2.323 1.00 0.00 PROT O ATOM 1393 N GLY P 102 -16.671 3.756 -4.274 1.00 0.00 PROT N ATOM 1394 HN GLY P 102 -16.294 3.297 -5.077 1.00 0.00 PROT H ATOM 1395 CA GLY P 102 -16.503 5.202 -4.239 1.00 0.00 PROT C ATOM 1396 HA1 GLY P 102 -15.525 5.421 -3.834 1.00 0.00 PROT H ATOM 1397 HA2 GLY P 102 -17.322 5.631 -3.678 1.00 0.00 PROT H ATOM 1398 C GLY P 102 -16.562 5.758 -5.656 1.00 0.00 PROT C ATOM 1399 O GLY P 102 -16.308 5.035 -6.622 1.00 0.00 PROT O ATOM 1400 N SER P 103 -16.909 7.038 -5.699 1.00 0.00 PROT N ATOM 1401 HN SER P 103 -17.121 7.608 -4.905 1.00 0.00 PROT H ATOM 1402 CA SER P 103 -17.011 7.744 -6.996 1.00 0.00 PROT C ATOM 1403 HA SER P 103 -17.065 7.005 -7.785 1.00 0.00 PROT H ATOM 1404 CB SER P 103 -18.228 8.625 -7.040 1.00 0.00 PROT C ATOM 1405 HB1 SER P 103 -18.282 9.090 -8.051 1.00 0.00 PROT H ATOM 1406 HB2 SER P 103 -19.152 8.017 -6.909 1.00 0.00 PROT H ATOM 1407 OG SER P 103 -18.186 9.656 -6.091 1.00 0.00 PROT O ATOM 1408 HG1 SER P 103 -18.873 10.290 -6.331 1.00 0.00 PROT H ATOM 1409 C SER P 103 -15.698 8.487 -7.162 1.00 0.00 PROT C ATOM 1410 O SER P 103 -15.075 8.846 -6.145 1.00 0.00 PROT O ATOM 1411 N TYR P 104 -15.278 8.691 -8.399 1.00 0.00 PROT N ATOM 1412 HN TYR P 104 -15.752 8.376 -9.219 1.00 0.00 PROT H ATOM 1413 CA TYR P 104 -14.045 9.419 -8.656 1.00 0.00 PROT C ATOM 1414 HA TYR P 104 -13.241 8.805 -8.269 1.00 0.00 PROT H ATOM 1415 CB TYR P 104 -13.772 9.726 -10.128 1.00 0.00 PROT C ATOM 1416 HB1 TYR P 104 -14.605 10.342 -10.532 1.00 0.00 PROT H ATOM 1417 HB2 TYR P 104 -12.840 10.321 -10.239 1.00 0.00 PROT H ATOM 1418 CG TYR P 104 -13.696 8.452 -10.935 1.00 0.00 PROT C ATOM 1419 CD1 TYR P 104 -14.538 8.325 -12.041 1.00 0.00 PROT C ATOM 1420 HD1 TYR P 104 -15.219 9.127 -12.293 1.00 0.00 PROT H ATOM 1421 CE1 TYR P 104 -14.542 7.175 -12.824 1.00 0.00 PROT C ATOM 1422 HE1 TYR P 104 -15.208 7.089 -13.670 1.00 0.00 PROT H ATOM 1423 CZ TYR P 104 -13.681 6.135 -12.497 1.00 0.00 PROT C ATOM 1424 OH TYR P 104 -13.681 5.019 -13.265 1.00 0.00 PROT O ATOM 1425 HH TYR P 104 -12.984 4.446 -12.940 1.00 0.00 PROT H ATOM 1426 CD2 TYR P 104 -12.841 7.394 -10.609 1.00 0.00 PROT C ATOM 1427 HD2 TYR P 104 -12.218 7.455 -9.728 1.00 0.00 PROT H ATOM 1428 CE2 TYR P 104 -12.845 6.249 -11.405 1.00 0.00 PROT C ATOM 1429 HE2 TYR P 104 -12.198 5.421 -11.156 1.00 0.00 PROT H ATOM 1430 C TYR P 104 -14.007 10.741 -7.896 1.00 0.00 PROT C ATOM 1431 O TYR P 104 -12.901 10.990 -7.354 1.00 0.00 PROT O ATOM 1432 N SER P 105 -15.068 11.500 -7.902 1.00 0.00 PROT N ATOM 1433 HN SER P 105 -15.936 11.285 -8.349 1.00 0.00 PROT H ATOM 1434 CA SER P 105 -15.052 12.805 -7.205 1.00 0.00 PROT C ATOM 1435 HA SER P 105 -14.437 13.465 -7.803 1.00 0.00 PROT H ATOM 1436 CB SER P 105 -16.418 13.428 -6.999 1.00 0.00 PROT C ATOM 1437 HB1 SER P 105 -16.686 13.988 -7.924 1.00 0.00 PROT H ATOM 1438 HB2 SER P 105 -17.189 12.636 -6.862 1.00 0.00 PROT H ATOM 1439 OG SER P 105 -16.330 14.326 -5.878 1.00 0.00 PROT O ATOM 1440 HG1 SER P 105 -17.123 14.876 -5.893 1.00 0.00 PROT H ATOM 1441 C SER P 105 -14.374 12.668 -5.833 1.00 0.00 PROT C ATOM 1442 O SER P 105 -13.554 13.500 -5.472 1.00 0.00 PROT O ATOM 1443 N GLY P 106 -14.748 11.618 -5.113 1.00 0.00 PROT N ATOM 1444 HN GLY P 106 -15.437 10.984 -5.462 1.00 0.00 PROT H ATOM 1445 CA GLY P 106 -14.213 11.303 -3.800 1.00 0.00 PROT C ATOM 1446 HA1 GLY P 106 -14.786 10.464 -3.428 1.00 0.00 PROT H ATOM 1447 HA2 GLY P 106 -14.302 12.201 -3.204 1.00 0.00 PROT H ATOM 1448 C GLY P 106 -12.747 10.899 -3.823 1.00 0.00 PROT C ATOM 1449 O GLY P 106 -11.904 11.266 -2.979 1.00 0.00 PROT O ATOM 1450 N ILE P 107 -12.396 10.134 -4.821 1.00 0.00 PROT N ATOM 1451 HN ILE P 107 -13.011 9.850 -5.553 1.00 0.00 PROT H ATOM 1452 CA ILE P 107 -11.032 9.616 -4.949 1.00 0.00 PROT C ATOM 1453 HA ILE P 107 -10.771 9.185 -3.991 1.00 0.00 PROT H ATOM 1454 CB ILE P 107 -10.895 8.554 -6.032 1.00 0.00 PROT C ATOM 1455 HB ILE P 107 -11.397 9.001 -6.927 1.00 0.00 PROT H ATOM 1456 CG2 ILE P 107 -9.423 8.274 -6.253 1.00 0.00 PROT C ATOM 1457 HG21 ILE P 107 -9.278 7.622 -7.140 1.00 0.00 PROT H ATOM 1458 HG22 ILE P 107 -8.863 9.216 -6.432 1.00 0.00 PROT H ATOM 1459 HG23 ILE P 107 -8.979 7.764 -5.372 1.00 0.00 PROT H ATOM 1460 CG1 ILE P 107 -11.683 7.323 -5.653 1.00 0.00 PROT C ATOM 1461 HG11 ILE P 107 -11.560 7.117 -4.566 1.00 0.00 PROT H ATOM 1462 HG12 ILE P 107 -12.765 7.519 -5.830 1.00 0.00 PROT H ATOM 1463 CD ILE P 107 -11.365 6.004 -6.393 1.00 0.00 PROT C ATOM 1464 HD1 ILE P 107 -12.054 5.198 -6.059 1.00 0.00 PROT H ATOM 1465 HD2 ILE P 107 -11.485 6.131 -7.490 1.00 0.00 PROT H ATOM 1466 HD3 ILE P 107 -10.325 5.673 -6.188 1.00 0.00 PROT H ATOM 1467 C ILE P 107 -10.057 10.752 -5.199 1.00 0.00 PROT C ATOM 1468 O ILE P 107 -9.065 10.844 -4.457 1.00 0.00 PROT O ATOM 1469 N VAL P 108 -10.401 11.513 -6.237 1.00 0.00 PROT N ATOM 1470 HN VAL P 108 -11.214 11.396 -6.802 1.00 0.00 PROT H ATOM 1471 CA VAL P 108 -9.546 12.638 -6.631 1.00 0.00 PROT C ATOM 1472 HA VAL P 108 -8.552 12.263 -6.840 1.00 0.00 PROT H ATOM 1473 CB VAL P 108 -9.893 13.184 -8.016 1.00 0.00 PROT C ATOM 1474 HB VAL P 108 -8.932 13.420 -8.536 1.00 0.00 PROT H ATOM 1475 CG1 VAL P 108 -10.663 12.253 -8.945 1.00 0.00 PROT C ATOM 1476 HG11 VAL P 108 -10.892 12.767 -9.903 1.00 0.00 PROT H ATOM 1477 HG12 VAL P 108 -10.077 11.343 -9.190 1.00 0.00 PROT H ATOM 1478 HG13 VAL P 108 -11.625 11.944 -8.482 1.00 0.00 PROT H ATOM 1479 CG2 VAL P 108 -10.601 14.543 -8.047 1.00 0.00 PROT C ATOM 1480 HG21 VAL P 108 -10.846 14.835 -9.091 1.00 0.00 PROT H ATOM 1481 HG22 VAL P 108 -11.546 14.504 -7.464 1.00 0.00 PROT H ATOM 1482 HG23 VAL P 108 -9.959 15.340 -7.618 1.00 0.00 PROT H ATOM 1483 C VAL P 108 -9.437 13.588 -5.446 1.00 0.00 PROT C ATOM 1484 O VAL P 108 -8.328 14.112 -5.185 1.00 0.00 PROT O ATOM 1485 N SER P 109 -10.543 13.802 -4.739 1.00 0.00 PROT N ATOM 1486 HN SER P 109 -11.439 13.392 -4.912 1.00 0.00 PROT H ATOM 1487 CA SER P 109 -10.510 14.726 -3.570 1.00 0.00 PROT C ATOM 1488 HA SER P 109 -10.182 15.675 -3.972 1.00 0.00 PROT H ATOM 1489 CB SER P 109 -11.893 14.837 -2.943 1.00 0.00 PROT C ATOM 1490 HB1 SER P 109 -12.451 13.900 -3.168 1.00 0.00 PROT H ATOM 1491 HB2 SER P 109 -11.812 14.912 -1.835 1.00 0.00 PROT H ATOM 1492 OG SER P 109 -12.635 15.919 -3.453 1.00 0.00 PROT O ATOM 1493 HG1 SER P 109 -13.552 15.788 -3.181 1.00 0.00 PROT H ATOM 1494 C SER P 109 -9.505 14.316 -2.497 1.00 0.00 PROT C ATOM 1495 O SER P 109 -8.770 15.136 -1.933 1.00 0.00 PROT O ATOM 1496 N GLY P 110 -9.480 13.035 -2.178 1.00 0.00 PROT N ATOM 1497 HN GLY P 110 -10.125 12.463 -2.682 1.00 0.00 PROT H ATOM 1498 CA GLY P 110 -8.652 12.341 -1.203 1.00 0.00 PROT C ATOM 1499 HA1 GLY P 110 -8.928 11.296 -1.235 1.00 0.00 PROT H ATOM 1500 HA2 GLY P 110 -8.814 12.814 -0.244 1.00 0.00 PROT H ATOM 1501 C GLY P 110 -7.167 12.447 -1.534 1.00 0.00 PROT C ATOM 1502 O GLY P 110 -6.259 12.671 -0.706 1.00 0.00 PROT O ATOM 1503 N ILE P 111 -6.905 12.277 -2.799 1.00 0.00 PROT N ATOM 1504 HN ILE P 111 -7.666 12.064 -3.408 1.00 0.00 PROT H ATOM 1505 CA ILE P 111 -5.610 12.359 -3.466 1.00 0.00 PROT C ATOM 1506 HA ILE P 111 -4.917 11.694 -2.967 1.00 0.00 PROT H ATOM 1507 CB ILE P 111 -5.832 12.052 -4.941 1.00 0.00 PROT C ATOM 1508 HB ILE P 111 -6.919 12.261 -5.110 1.00 0.00 PROT H ATOM 1509 CG2 ILE P 111 -4.974 12.871 -5.869 1.00 0.00 PROT C ATOM 1510 HG21 ILE P 111 -5.285 12.721 -6.924 1.00 0.00 PROT H ATOM 1511 HG22 ILE P 111 -5.067 13.954 -5.642 1.00 0.00 PROT H ATOM 1512 HG23 ILE P 111 -3.905 12.584 -5.779 1.00 0.00 PROT H ATOM 1513 CG1 ILE P 111 -5.627 10.574 -5.243 1.00 0.00 PROT C ATOM 1514 HG11 ILE P 111 -4.575 10.286 -5.019 1.00 0.00 PROT H ATOM 1515 HG12 ILE P 111 -6.282 9.974 -4.571 1.00 0.00 PROT H ATOM 1516 CD ILE P 111 -5.931 10.101 -6.679 1.00 0.00 PROT C ATOM 1517 HD1 ILE P 111 -5.800 9.000 -6.758 1.00 0.00 PROT H ATOM 1518 HD2 ILE P 111 -6.978 10.348 -6.960 1.00 0.00 PROT H ATOM 1519 HD3 ILE P 111 -5.247 10.582 -7.410 1.00 0.00 PROT H ATOM 1520 C ILE P 111 -5.115 13.779 -3.216 1.00 0.00 PROT C ATOM 1521 O ILE P 111 -3.995 14.005 -2.698 1.00 0.00 PROT O ATOM 1522 N GLU P 112 -5.941 14.743 -3.581 1.00 0.00 PROT N ATOM 1523 HN GLU P 112 -6.820 14.542 -4.005 1.00 0.00 PROT H ATOM 1524 CA GLU P 112 -5.674 16.176 -3.412 1.00 0.00 PROT C ATOM 1525 HA GLU P 112 -4.813 16.431 -4.016 1.00 0.00 PROT H ATOM 1526 CB GLU P 112 -6.906 17.014 -3.775 1.00 0.00 PROT C ATOM 1527 HB1 GLU P 112 -7.770 16.638 -3.180 1.00 0.00 PROT H ATOM 1528 HB2 GLU P 112 -6.752 18.069 -3.456 1.00 0.00 PROT H ATOM 1529 CG GLU P 112 -7.297 16.990 -5.254 1.00 0.00 PROT C ATOM 1530 HG1 GLU P 112 -6.416 16.721 -5.864 1.00 0.00 PROT H ATOM 1531 HG2 GLU P 112 -8.106 16.256 -5.439 1.00 0.00 PROT H ATOM 1532 CD GLU P 112 -7.746 18.329 -5.758 1.00 0.00 PROT C ATOM 1533 OE1 GLU P 112 -8.153 19.108 -4.892 1.00 0.00 PROT O ATOM 1534 OE2 GLU P 112 -7.660 18.522 -7.059 1.00 0.00 PROT O ATOM 1535 C GLU P 112 -5.327 16.507 -1.970 1.00 0.00 PROT C ATOM 1536 O GLU P 112 -4.380 17.209 -1.642 1.00 0.00 PROT O ATOM 1537 N TRP P 113 -6.250 16.184 -1.161 1.00 0.00 PROT N ATOM 1538 HN TRP P 113 -7.134 15.784 -1.390 1.00 0.00 PROT H ATOM 1539 CA TRP P 113 -6.132 16.757 0.062 1.00 0.00 PROT C ATOM 1540 HA TRP P 113 -5.310 17.456 0.034 1.00 0.00 PROT H ATOM 1541 CB TRP P 113 -7.276 18.015 0.672 1.00 0.00 PROT C ATOM 1542 HB1 TRP P 113 -8.236 17.459 0.738 1.00 0.00 PROT H ATOM 1543 HB2 TRP P 113 -6.936 18.037 1.729 1.00 0.00 PROT H ATOM 1544 CG TRP P 113 -7.905 19.506 0.066 1.00 0.00 PROT C ATOM 1545 CD1 TRP P 113 -8.703 19.698 -1.111 1.00 0.00 PROT C ATOM 1546 HD1 TRP P 113 -8.663 18.979 -1.915 1.00 0.00 PROT H ATOM 1547 NE1 TRP P 113 -9.166 21.023 -1.258 1.00 0.00 PROT N ATOM 1548 HE1 TRP P 113 -9.675 21.240 -2.063 1.00 0.00 PROT H ATOM 1549 CE2 TRP P 113 -8.765 21.714 -0.106 1.00 0.00 PROT C ATOM 1550 CD2 TRP P 113 -7.961 20.931 0.662 1.00 0.00 PROT C ATOM 1551 CE3 TRP P 113 -7.505 21.558 1.869 1.00 0.00 PROT C ATOM 1552 HE3 TRP P 113 -6.972 21.132 2.706 1.00 0.00 PROT H ATOM 1553 CZ3 TRP P 113 -7.816 22.912 2.132 1.00 0.00 PROT C ATOM 1554 HZ3 TRP P 113 -7.521 23.335 3.081 1.00 0.00 PROT H ATOM 1555 CZ2 TRP P 113 -9.164 23.123 0.167 1.00 0.00 PROT C ATOM 1556 HZ2 TRP P 113 -9.977 23.659 -0.301 1.00 0.00 PROT H ATOM 1557 CH2 TRP P 113 -8.673 23.736 1.341 1.00 0.00 PROT C ATOM 1558 HH2 TRP P 113 -9.028 24.733 1.559 1.00 0.00 PROT H ATOM 1559 C TRP P 113 -5.307 15.450 0.874 1.00 0.00 PROT C ATOM 1560 O TRP P 113 -5.664 15.184 1.970 1.00 0.00 PROT O ATOM 1561 N ALA P 114 -4.320 14.487 0.405 1.00 0.00 PROT N ATOM 1562 HN ALA P 114 -4.988 13.938 -0.096 1.00 0.00 PROT H ATOM 1563 CA ALA P 114 -3.023 13.838 0.645 1.00 0.00 PROT C ATOM 1564 HA ALA P 114 -2.926 13.576 1.692 1.00 0.00 PROT H ATOM 1565 CB ALA P 114 -2.880 12.602 -0.248 1.00 0.00 PROT C ATOM 1566 HB1 ALA P 114 -3.688 11.877 -0.013 1.00 0.00 PROT H ATOM 1567 HB2 ALA P 114 -2.966 12.874 -1.323 1.00 0.00 PROT H ATOM 1568 HB3 ALA P 114 -1.905 12.093 -0.089 1.00 0.00 PROT H ATOM 1569 C ALA P 114 -1.847 14.757 0.320 1.00 0.00 PROT C ATOM 1570 O ALA P 114 -0.984 14.961 1.182 1.00 0.00 PROT O ATOM 1571 N THR P 115 -1.867 15.254 -0.932 1.00 0.00 PROT N ATOM 1572 HN THR P 115 -2.586 15.019 -1.585 1.00 0.00 PROT H ATOM 1573 CA THR P 115 -0.857 16.171 -1.455 1.00 0.00 PROT C ATOM 1574 HA THR P 115 0.091 15.676 -1.292 1.00 0.00 PROT H ATOM 1575 CB THR P 115 -1.140 16.483 -2.926 1.00 0.00 PROT C ATOM 1576 HB THR P 115 -2.100 17.055 -2.943 1.00 0.00 PROT H ATOM 1577 OG1 THR P 115 -1.332 15.272 -3.608 1.00 0.00 PROT O ATOM 1578 HG1 THR P 115 -1.494 15.517 -4.525 1.00 0.00 PROT H ATOM 1579 CG2 THR P 115 -0.025 17.304 -3.565 1.00 0.00 PROT C ATOM 1580 HG21 THR P 115 -0.303 17.614 -4.594 1.00 0.00 PROT H ATOM 1581 HG22 THR P 115 0.168 18.223 -2.972 1.00 0.00 PROT H ATOM 1582 HG23 THR P 115 0.920 16.721 -3.621 1.00 0.00 PROT H ATOM 1583 C THR P 115 -0.801 17.498 -0.666 1.00 0.00 PROT C ATOM 1584 O THR P 115 0.229 17.998 -0.182 1.00 0.00 PROT O ATOM 1585 N THR P 116 -1.978 18.079 -0.513 1.00 0.00 PROT N ATOM 1586 HN THR P 116 -2.826 17.694 -0.876 1.00 0.00 PROT H ATOM 1587 CA THR P 116 -2.152 19.352 0.209 1.00 0.00 PROT C ATOM 1588 HA THR P 116 -1.441 20.030 -0.243 1.00 0.00 PROT H ATOM 1589 CB THR P 116 -3.551 19.880 -0.151 1.00 0.00 PROT C ATOM 1590 HB THR P 116 -3.842 19.366 -1.100 1.00 0.00 PROT H ATOM 1591 OG1 THR P 116 -3.316 21.239 -0.373 1.00 0.00 PROT O ATOM 1592 HG1 THR P 116 -4.175 21.616 -0.592 1.00 0.00 PROT H ATOM 1593 CG2 THR P 116 -4.624 19.704 0.902 1.00 0.00 PROT C ATOM 1594 HG21 THR P 116 -5.617 20.010 0.510 1.00 0.00 PROT H ATOM 1595 HG22 THR P 116 -4.692 18.639 1.211 1.00 0.00 PROT H ATOM 1596 HG23 THR P 116 -4.404 20.315 1.804 1.00 0.00 PROT H ATOM 1597 C THR P 116 -1.787 19.261 1.680 1.00 0.00 PROT C ATOM 1598 O THR P 116 -1.559 20.330 2.273 1.00 0.00 PROT O ATOM 1599 N ASN P 117 -1.718 18.086 2.283 1.00 0.00 PROT N ATOM 1600 HN ASN P 117 -1.928 17.235 1.804 1.00 0.00 PROT H ATOM 1601 CA ASN P 117 -1.333 17.913 3.694 1.00 0.00 PROT C ATOM 1602 HA ASN P 117 -1.262 18.920 4.092 1.00 0.00 PROT H ATOM 1603 CB ASN P 117 -2.413 17.200 4.483 1.00 0.00 PROT C ATOM 1604 HB1 ASN P 117 -2.485 16.159 4.098 1.00 0.00 PROT H ATOM 1605 HB2 ASN P 117 -2.132 17.140 5.554 1.00 0.00 PROT H ATOM 1606 CG ASN P 117 -3.774 17.858 4.329 1.00 0.00 PROT C ATOM 1607 OD1 ASN P 117 -4.216 18.575 5.242 1.00 0.00 PROT O ATOM 1608 ND2 ASN P 117 -4.413 17.635 3.173 1.00 0.00 PROT N ATOM 1609 HD21 ASN P 117 -5.302 18.068 3.050 1.00 0.00 PROT H ATOM 1610 HD22 ASN P 117 -3.985 17.080 2.466 1.00 0.00 PROT H ATOM 1611 C ASN P 117 0.048 17.244 3.865 1.00 0.00 PROT C ATOM 1612 O ASN P 117 0.378 16.692 4.927 1.00 0.00 PROT O ATOM 1613 N GLY P 118 0.894 17.283 2.867 1.00 0.00 PROT N ATOM 1614 HN GLY P 118 0.581 17.742 2.036 1.00 0.00 PROT H ATOM 1615 CA GLY P 118 2.235 16.741 2.816 1.00 0.00 PROT C ATOM 1616 HA1 GLY P 118 2.804 17.315 3.534 1.00 0.00 PROT H ATOM 1617 HA2 GLY P 118 2.560 16.863 1.792 1.00 0.00 PROT H ATOM 1618 C GLY P 118 2.369 15.264 3.179 1.00 0.00 PROT C ATOM 1619 O GLY P 118 3.258 14.828 3.936 1.00 0.00 PROT O ATOM 1620 N MET P 119 1.475 14.469 2.645 1.00 0.00 PROT N ATOM 1621 HN MET P 119 0.739 14.794 2.055 1.00 0.00 PROT H ATOM 1622 CA MET P 119 1.476 13.018 2.869 1.00 0.00 PROT C ATOM 1623 HA MET P 119 1.645 12.832 3.923 1.00 0.00 PROT H ATOM 1624 CB MET P 119 0.140 12.420 2.409 1.00 0.00 PROT C ATOM 1625 HB1 MET P 119 -0.030 12.772 1.365 1.00 0.00 PROT H ATOM 1626 HB2 MET P 119 0.231 11.312 2.353 1.00 0.00 PROT H ATOM 1627 CG MET P 119 -1.097 12.761 3.196 1.00 0.00 PROT C ATOM 1628 HG1 MET P 119 -1.247 13.861 3.221 1.00 0.00 PROT H ATOM 1629 HG2 MET P 119 -1.988 12.311 2.706 1.00 0.00 PROT H ATOM 1630 SD MET P 119 -1.033 12.184 4.897 1.00 0.00 PROT S ATOM 1631 CE MET P 119 -0.261 13.564 5.737 1.00 0.00 PROT C ATOM 1632 HE1 MET P 119 -0.140 13.351 6.821 1.00 0.00 PROT H ATOM 1633 HE2 MET P 119 0.746 13.775 5.316 1.00 0.00 PROT H ATOM 1634 HE3 MET P 119 -0.873 14.486 5.637 1.00 0.00 PROT H ATOM 1635 C MET P 119 2.658 12.421 2.098 1.00 0.00 PROT C ATOM 1636 O MET P 119 2.621 12.447 0.848 1.00 0.00 PROT O ATOM 1637 N ASP P 120 3.691 11.901 2.736 1.00 0.00 PROT N ATOM 1638 HN ASP P 120 3.782 11.899 3.728 1.00 0.00 PROT H ATOM 1639 CA ASP P 120 4.824 11.266 2.057 1.00 0.00 PROT C ATOM 1640 HA ASP P 120 5.195 11.979 1.329 1.00 0.00 PROT H ATOM 1641 CB ASP P 120 5.963 10.901 2.991 1.00 0.00 PROT C ATOM 1642 HB1 ASP P 120 5.566 10.299 3.833 1.00 0.00 PROT H ATOM 1643 HB2 ASP P 120 6.726 10.298 2.460 1.00 0.00 PROT H ATOM 1644 CG ASP P 120 6.665 12.095 3.604 1.00 0.00 PROT C ATOM 1645 OD1 ASP P 120 6.687 12.196 4.847 1.00 0.00 PROT O ATOM 1646 OD2 ASP P 120 7.162 12.907 2.806 1.00 0.00 PROT O ATOM 1647 C ASP P 120 4.382 10.015 1.269 1.00 0.00 PROT C ATOM 1648 O ASP P 120 5.086 9.664 0.308 1.00 0.00 PROT O ATOM 1649 N VAL P 121 3.293 9.386 1.672 1.00 0.00 PROT N ATOM 1650 HN VAL P 121 2.729 9.647 2.451 1.00 0.00 PROT H ATOM 1651 CA VAL P 121 2.819 8.188 0.949 1.00 0.00 PROT C ATOM 1652 HA VAL P 121 3.113 8.301 -0.087 1.00 0.00 PROT H ATOM 1653 CB VAL P 121 3.564 6.905 1.377 1.00 0.00 PROT C ATOM 1654 HB VAL P 121 3.220 6.643 2.408 1.00 0.00 PROT H ATOM 1655 CG1 VAL P 121 3.303 5.690 0.493 1.00 0.00 PROT C ATOM 1656 HG11 VAL P 121 3.903 4.822 0.843 1.00 0.00 PROT H ATOM 1657 HG12 VAL P 121 2.236 5.386 0.519 1.00 0.00 PROT H ATOM 1658 HG13 VAL P 121 3.587 5.902 -0.560 1.00 0.00 PROT H ATOM 1659 CG2 VAL P 121 5.053 7.139 1.496 1.00 0.00 PROT C ATOM 1660 HG21 VAL P 121 5.578 6.198 1.765 1.00 0.00 PROT H ATOM 1661 HG22 VAL P 121 5.468 7.508 0.533 1.00 0.00 PROT H ATOM 1662 HG23 VAL P 121 5.281 7.887 2.284 1.00 0.00 PROT H ATOM 1663 C VAL P 121 1.284 8.081 0.985 1.00 0.00 PROT C ATOM 1664 O VAL P 121 0.519 8.422 1.905 1.00 0.00 PROT O ATOM 1665 N ILE P 122 0.861 7.634 -0.183 1.00 0.00 PROT N ATOM 1666 HN ILE P 122 1.491 7.392 -0.918 1.00 0.00 PROT H ATOM 1667 CA ILE P 122 -0.560 7.448 -0.521 1.00 0.00 PROT C ATOM 1668 HA ILE P 122 -1.138 7.534 0.390 1.00 0.00 PROT H ATOM 1669 CB ILE P 122 -0.991 8.379 -1.643 1.00 0.00 PROT C ATOM 1670 HB ILE P 122 -0.166 8.310 -2.396 1.00 0.00 PROT H ATOM 1671 CG2 ILE P 122 -2.345 7.958 -2.222 1.00 0.00 PROT C ATOM 1672 HG21 ILE P 122 -2.578 8.543 -3.136 1.00 0.00 PROT H ATOM 1673 HG22 ILE P 122 -2.339 6.884 -2.502 1.00 0.00 PROT H ATOM 1674 HG23 ILE P 122 -3.161 8.125 -1.487 1.00 0.00 PROT H ATOM 1675 CG1 ILE P 122 -1.031 9.824 -1.180 1.00 0.00 PROT C ATOM 1676 HG11 ILE P 122 -1.888 9.973 -0.485 1.00 0.00 PROT H ATOM 1677 HG12 ILE P 122 -0.101 10.045 -0.608 1.00 0.00 PROT H ATOM 1678 CD ILE P 122 -1.138 10.767 -2.401 1.00 0.00 PROT C ATOM 1679 HD1 ILE P 122 -1.109 11.828 -2.072 1.00 0.00 PROT H ATOM 1680 HD2 ILE P 122 -0.293 10.597 -3.103 1.00 0.00 PROT H ATOM 1681 HD3 ILE P 122 -2.090 10.603 -2.949 1.00 0.00 PROT H ATOM 1682 C ILE P 122 -0.715 6.006 -1.009 1.00 0.00 PROT C ATOM 1683 O ILE P 122 -0.040 5.638 -2.005 1.00 0.00 PROT O ATOM 1684 N ASN P 123 -1.561 5.312 -0.264 1.00 0.00 PROT N ATOM 1685 HN ASN P 123 -2.050 5.637 0.545 1.00 0.00 PROT H ATOM 1686 CA ASN P 123 -1.843 3.907 -0.627 1.00 0.00 PROT C ATOM 1687 HA ASN P 123 -1.174 3.649 -1.441 1.00 0.00 PROT H ATOM 1688 CB ASN P 123 -1.721 2.894 0.508 1.00 0.00 PROT C ATOM 1689 HB1 ASN P 123 -0.669 2.911 0.868 1.00 0.00 PROT H ATOM 1690 HB2 ASN P 123 -2.368 3.189 1.359 1.00 0.00 PROT H ATOM 1691 CG ASN P 123 -2.045 1.480 0.064 1.00 0.00 PROT C ATOM 1692 OD1 ASN P 123 -1.329 0.830 -0.699 1.00 0.00 PROT O ATOM 1693 ND2 ASN P 123 -3.170 0.899 0.504 1.00 0.00 PROT N ATOM 1694 HD21 ASN P 123 -3.351 -0.034 0.205 1.00 0.00 PROT H ATOM 1695 HD22 ASN P 123 -3.772 1.387 1.129 1.00 0.00 PROT H ATOM 1696 C ASN P 123 -3.277 3.817 -1.159 1.00 0.00 PROT C ATOM 1697 O ASN P 123 -4.183 4.085 -0.361 1.00 0.00 PROT O ATOM 1698 N MET P 124 -3.404 3.419 -2.396 1.00 0.00 PROT N ATOM 1699 HN MET P 124 -2.639 3.233 -3.009 1.00 0.00 PROT H ATOM 1700 CA MET P 124 -4.730 3.208 -2.998 1.00 0.00 PROT C ATOM 1701 HA MET P 124 -5.472 3.509 -2.268 1.00 0.00 PROT H ATOM 1702 CB MET P 124 -4.931 3.966 -4.315 1.00 0.00 PROT C ATOM 1703 HB1 MET P 124 -3.951 4.430 -4.575 1.00 0.00 PROT H ATOM 1704 HB2 MET P 124 -5.157 3.240 -5.128 1.00 0.00 PROT H ATOM 1705 CG MET P 124 -6.013 5.011 -4.094 1.00 0.00 PROT C ATOM 1706 HG1 MET P 124 -7.019 4.547 -4.169 1.00 0.00 PROT H ATOM 1707 HG2 MET P 124 -5.916 5.439 -3.072 1.00 0.00 PROT H ATOM 1708 SD MET P 124 -5.814 6.276 -5.350 1.00 0.00 PROT S ATOM 1709 CE MET P 124 -4.158 6.803 -4.877 1.00 0.00 PROT C ATOM 1710 HE1 MET P 124 -3.801 7.626 -5.533 1.00 0.00 PROT H ATOM 1711 HE2 MET P 124 -4.141 7.171 -3.828 1.00 0.00 PROT H ATOM 1712 HE3 MET P 124 -3.433 5.964 -4.957 1.00 0.00 PROT H ATOM 1713 C MET P 124 -4.945 1.726 -3.290 1.00 0.00 PROT C ATOM 1714 O MET P 124 -4.476 1.272 -4.347 1.00 0.00 PROT O ATOM 1715 N SER P 125 -5.616 1.025 -2.408 1.00 0.00 PROT N ATOM 1716 HN SER P 125 -5.991 1.392 -1.557 1.00 0.00 PROT H ATOM 1717 CA SER P 125 -5.878 -0.416 -2.614 1.00 0.00 PROT C ATOM 1718 HA SER P 125 -5.216 -0.797 -3.380 1.00 0.00 PROT H ATOM 1719 CB SER P 125 -5.821 -1.315 -1.432 1.00 0.00 PROT C ATOM 1720 HB1 SER P 125 -6.380 -0.829 -0.600 1.00 0.00 PROT H ATOM 1721 HB2 SER P 125 -6.334 -2.278 -1.652 1.00 0.00 PROT H ATOM 1722 OG SER P 125 -4.554 -1.610 -0.921 1.00 0.00 PROT O ATOM 1723 HG1 SER P 125 -4.684 -2.004 -0.049 1.00 0.00 PROT H ATOM 1724 C SER P 125 -7.295 -0.433 -3.188 1.00 0.00 PROT C ATOM 1725 O SER P 125 -8.223 -1.047 -2.631 1.00 0.00 PROT O ATOM 1726 N LEU P 126 -7.424 0.273 -4.293 1.00 0.00 PROT N ATOM 1727 HN LEU P 126 -6.710 0.786 -4.764 1.00 0.00 PROT H ATOM 1728 CA LEU P 126 -8.745 0.342 -4.939 1.00 0.00 PROT C ATOM 1729 HA LEU P 126 -9.291 -0.564 -4.709 1.00 0.00 PROT H ATOM 1730 CB LEU P 126 -9.462 1.582 -4.474 1.00 0.00 PROT C ATOM 1731 HB1 LEU P 126 -10.254 1.805 -5.225 1.00 0.00 PROT H ATOM 1732 HB2 LEU P 126 -9.994 1.357 -3.523 1.00 0.00 PROT H ATOM 1733 CG LEU P 126 -8.604 2.813 -4.309 1.00 0.00 PROT C ATOM 1734 HG LEU P 126 -7.573 2.533 -3.984 1.00 0.00 PROT H ATOM 1735 CD1 LEU P 126 -8.530 3.444 -5.668 1.00 0.00 PROT C ATOM 1736 HD11 LEU P 126 -7.951 4.391 -5.627 1.00 0.00 PROT H ATOM 1737 HD12 LEU P 126 -8.032 2.761 -6.390 1.00 0.00 PROT H ATOM 1738 HD13 LEU P 126 -9.547 3.676 -6.049 1.00 0.00 PROT H ATOM 1739 CD2 LEU P 126 -9.177 3.744 -3.282 1.00 0.00 PROT C ATOM 1740 HD21 LEU P 126 -8.523 4.635 -3.161 1.00 0.00 PROT H ATOM 1741 HD22 LEU P 126 -10.185 4.104 -3.572 1.00 0.00 PROT H ATOM 1742 HD23 LEU P 126 -9.257 3.235 -2.297 1.00 0.00 PROT H ATOM 1743 C LEU P 126 -8.498 0.361 -6.438 1.00 0.00 PROT C ATOM 1744 O LEU P 126 -7.302 0.340 -6.793 1.00 0.00 PROT O ATOM 1745 N GLY P 127 -9.599 0.408 -7.163 1.00 0.00 PROT N ATOM 1746 HN GLY P 127 -10.529 0.428 -6.797 1.00 0.00 PROT H ATOM 1747 CA GLY P 127 -9.493 0.434 -8.614 1.00 0.00 PROT C ATOM 1748 HA1 GLY P 127 -9.099 -0.531 -8.904 1.00 0.00 PROT H ATOM 1749 HA2 GLY P 127 -8.849 1.268 -8.858 1.00 0.00 PROT H ATOM 1750 C GLY P 127 -10.812 0.637 -9.331 1.00 0.00 PROT C ATOM 1751 O GLY P 127 -11.874 0.990 -8.803 1.00 0.00 PROT O ATOM 1752 N GLY P 128 -10.676 0.462 -10.627 1.00 0.00 PROT N ATOM 1753 HN GLY P 128 -9.781 0.218 -10.998 1.00 0.00 PROT H ATOM 1754 CA GLY P 128 -11.756 0.597 -11.612 1.00 0.00 PROT C ATOM 1755 HA1 GLY P 128 -12.098 1.621 -11.680 1.00 0.00 PROT H ATOM 1756 HA2 GLY P 128 -12.544 -0.124 -11.437 1.00 0.00 PROT H ATOM 1757 C GLY P 128 -11.080 0.241 -12.920 1.00 0.00 PROT C ATOM 1758 O GLY P 128 -9.844 0.371 -13.020 1.00 0.00 PROT O ATOM 1759 N ALA P 129 -11.875 -0.195 -13.843 1.00 0.00 PROT N ATOM 1760 HN ALA P 129 -12.857 -0.283 -13.678 1.00 0.00 PROT H ATOM 1761 CA ALA P 129 -11.422 -0.591 -15.184 1.00 0.00 PROT C ATOM 1762 HA ALA P 129 -10.382 -0.897 -15.189 1.00 0.00 PROT H ATOM 1763 CB ALA P 129 -12.103 -1.875 -15.585 1.00 0.00 PROT C ATOM 1764 HB1 ALA P 129 -11.885 -2.663 -14.833 1.00 0.00 PROT H ATOM 1765 HB2 ALA P 129 -13.206 -1.744 -15.633 1.00 0.00 PROT H ATOM 1766 HB3 ALA P 129 -11.746 -2.236 -16.574 1.00 0.00 PROT H ATOM 1767 C ALA P 129 -11.515 0.628 -16.086 1.00 0.00 PROT C ATOM 1768 O ALA P 129 -10.984 0.622 -17.211 1.00 0.00 PROT O ATOM 1769 N SER P 130 -12.099 1.715 -15.610 1.00 0.00 PROT N ATOM 1770 HN SER P 130 -12.516 1.732 -14.701 1.00 0.00 PROT H ATOM 1771 CA SER P 130 -12.198 2.974 -16.336 1.00 0.00 PROT C ATOM 1772 HA SER P 130 -11.652 2.842 -17.261 1.00 0.00 PROT H ATOM 1773 CB SER P 130 -13.605 3.509 -16.583 1.00 0.00 PROT C ATOM 1774 HB1 SER P 130 -13.673 3.825 -17.649 1.00 0.00 PROT H ATOM 1775 HB2 SER P 130 -14.358 2.703 -16.432 1.00 0.00 PROT H ATOM 1776 OG SER P 130 -13.735 4.625 -15.686 1.00 0.00 PROT O ATOM 1777 HG1 SER P 130 -14.514 5.123 -15.965 1.00 0.00 PROT H ATOM 1778 C SER P 130 -11.494 4.093 -15.543 1.00 0.00 PROT C ATOM 1779 O SER P 130 -11.552 4.142 -14.322 1.00 0.00 PROT O ATOM 1780 N GLY P 131 -10.883 5.013 -16.255 1.00 0.00 PROT N ATOM 1781 HN GLY P 131 -10.881 4.977 -17.254 1.00 0.00 PROT H ATOM 1782 CA GLY P 131 -10.166 6.148 -15.659 1.00 0.00 PROT C ATOM 1783 HA1 GLY P 131 -9.289 6.349 -16.259 1.00 0.00 PROT H ATOM 1784 HA2 GLY P 131 -9.953 5.916 -14.624 1.00 0.00 PROT H ATOM 1785 C GLY P 131 -11.054 7.388 -15.690 1.00 0.00 PROT C ATOM 1786 O GLY P 131 -12.282 7.279 -15.701 1.00 0.00 PROT O ATOM 1787 N SER P 132 -10.394 8.522 -15.702 1.00 0.00 PROT N ATOM 1788 HN SER P 132 -9.396 8.474 -15.668 1.00 0.00 PROT H ATOM 1789 CA SER P 132 -10.925 9.877 -15.760 1.00 0.00 PROT C ATOM 1790 HA SER P 132 -11.526 9.963 -16.656 1.00 0.00 PROT H ATOM 1791 CB SER P 132 -11.728 10.342 -14.580 1.00 0.00 PROT C ATOM 1792 HB1 SER P 132 -12.368 11.192 -14.910 1.00 0.00 PROT H ATOM 1793 HB2 SER P 132 -12.411 9.534 -14.233 1.00 0.00 PROT H ATOM 1794 OG SER P 132 -10.996 10.812 -13.460 1.00 0.00 PROT O ATOM 1795 HG1 SER P 132 -11.620 11.275 -12.887 1.00 0.00 PROT H ATOM 1796 C SER P 132 -9.705 10.825 -15.929 1.00 0.00 PROT C ATOM 1797 O SER P 132 -8.599 10.488 -15.474 1.00 0.00 PROT O ATOM 1798 N THR P 133 -9.999 11.951 -16.551 1.00 0.00 PROT N ATOM 1799 HN THR P 133 -10.916 12.137 -16.901 1.00 0.00 PROT H ATOM 1800 CA THR P 133 -9.033 13.027 -16.790 1.00 0.00 PROT C ATOM 1801 HA THR P 133 -8.205 12.575 -17.320 1.00 0.00 PROT H ATOM 1802 CB THR P 133 -9.612 14.147 -17.669 1.00 0.00 PROT C ATOM 1803 HB THR P 133 -8.981 15.049 -17.477 1.00 0.00 PROT H ATOM 1804 OG1 THR P 133 -10.942 14.449 -17.259 1.00 0.00 PROT O ATOM 1805 HG1 THR P 133 -11.243 15.144 -17.855 1.00 0.00 PROT H ATOM 1806 CG2 THR P 133 -9.642 13.763 -19.145 1.00 0.00 PROT C ATOM 1807 HG21 THR P 133 -9.956 14.625 -19.771 1.00 0.00 PROT H ATOM 1808 HG22 THR P 133 -8.633 13.445 -19.483 1.00 0.00 PROT H ATOM 1809 HG23 THR P 133 -10.350 12.925 -19.326 1.00 0.00 PROT H ATOM 1810 C THR P 133 -8.466 13.553 -15.457 1.00 0.00 PROT C ATOM 1811 O THR P 133 -7.252 13.573 -15.248 1.00 0.00 PROT O ATOM 1812 N ALA P 134 -9.303 13.964 -14.548 1.00 0.00 PROT N ATOM 1813 HN ALA P 134 -10.277 13.922 -14.770 1.00 0.00 PROT H ATOM 1814 CA ALA P 134 -8.986 14.485 -13.228 1.00 0.00 PROT C ATOM 1815 HA ALA P 134 -8.400 15.391 -13.335 1.00 0.00 PROT H ATOM 1816 CB ALA P 134 -10.289 14.900 -12.546 1.00 0.00 PROT C ATOM 1817 HB1 ALA P 134 -10.832 15.625 -13.189 1.00 0.00 PROT H ATOM 1818 HB2 ALA P 134 -10.952 14.022 -12.385 1.00 0.00 PROT H ATOM 1819 HB3 ALA P 134 -10.100 15.386 -11.564 1.00 0.00 PROT H ATOM 1820 C ALA P 134 -8.163 13.542 -12.365 1.00 0.00 PROT C ATOM 1821 O ALA P 134 -7.291 14.066 -11.637 1.00 0.00 PROT O ATOM 1822 N MET P 135 -8.376 12.238 -12.408 1.00 0.00 PROT N ATOM 1823 HN MET P 135 -9.066 11.806 -12.986 1.00 0.00 PROT H ATOM 1824 CA MET P 135 -7.590 11.292 -11.583 1.00 0.00 PROT C ATOM 1825 HA MET P 135 -7.622 11.673 -10.569 1.00 0.00 PROT H ATOM 1826 CB MET P 135 -8.146 9.864 -11.613 1.00 0.00 PROT C ATOM 1827 HB1 MET P 135 -9.004 9.865 -12.326 1.00 0.00 PROT H ATOM 1828 HB2 MET P 135 -7.382 9.179 -12.045 1.00 0.00 PROT H ATOM 1829 CG MET P 135 -8.628 9.350 -10.265 1.00 0.00 PROT C ATOM 1830 HG1 MET P 135 -8.200 9.962 -9.443 1.00 0.00 PROT H ATOM 1831 HG2 MET P 135 -9.735 9.436 -10.207 1.00 0.00 PROT H ATOM 1832 SD MET P 135 -8.061 7.629 -10.180 1.00 0.00 PROT S ATOM 1833 CE MET P 135 -9.604 6.882 -9.577 1.00 0.00 PROT C ATOM 1834 HE1 MET P 135 -9.485 5.786 -9.435 1.00 0.00 PROT H ATOM 1835 HE2 MET P 135 -9.906 7.322 -8.602 1.00 0.00 PROT H ATOM 1836 HE3 MET P 135 -10.435 7.044 -10.297 1.00 0.00 PROT H ATOM 1837 C MET P 135 -6.108 11.216 -12.006 1.00 0.00 PROT C ATOM 1838 O MET P 135 -5.162 11.198 -11.204 1.00 0.00 PROT O ATOM 1839 N LYS P 136 -5.960 11.149 -13.332 1.00 0.00 PROT N ATOM 1840 HN LYS P 136 -6.742 11.152 -13.954 1.00 0.00 PROT H ATOM 1841 CA LYS P 136 -4.671 11.067 -13.971 1.00 0.00 PROT C ATOM 1842 HA LYS P 136 -4.126 10.231 -13.550 1.00 0.00 PROT H ATOM 1843 CB LYS P 136 -4.718 10.814 -15.461 1.00 0.00 PROT C ATOM 1844 HB1 LYS P 136 -5.253 9.848 -15.613 1.00 0.00 PROT H ATOM 1845 HB2 LYS P 136 -5.346 11.597 -15.942 1.00 0.00 PROT H ATOM 1846 CG LYS P 136 -3.299 10.749 -16.053 1.00 0.00 PROT C ATOM 1847 HG1 LYS P 136 -2.601 11.306 -15.388 1.00 0.00 PROT H ATOM 1848 HG2 LYS P 136 -2.963 9.687 -16.073 1.00 0.00 PROT H ATOM 1849 CD LYS P 136 -3.193 11.333 -17.435 1.00 0.00 PROT C ATOM 1850 HD1 LYS P 136 -3.841 10.738 -18.119 1.00 0.00 PROT H ATOM 1851 HD2 LYS P 136 -3.602 12.369 -17.406 1.00 0.00 PROT H ATOM 1852 CE LYS P 136 -1.755 11.351 -17.943 1.00 0.00 PROT C ATOM 1853 HE1 LYS P 136 -1.734 11.477 -19.048 1.00 0.00 PROT H ATOM 1854 HE2 LYS P 136 -1.188 12.190 -17.482 1.00 0.00 PROT H ATOM 1855 NZ LYS P 136 -1.048 10.086 -17.614 1.00 0.00 PROT N ATOM 1856 HZ1 LYS P 136 -0.071 10.121 -17.971 1.00 0.00 PROT H ATOM 1857 HZ2 LYS P 136 -1.034 9.954 -16.582 1.00 0.00 PROT H ATOM 1858 HZ3 LYS P 136 -1.547 9.287 -18.054 1.00 0.00 PROT H ATOM 1859 C LYS P 136 -3.897 12.343 -13.616 1.00 0.00 PROT C ATOM 1860 O LYS P 136 -2.661 12.247 -13.410 1.00 0.00 PROT O ATOM 1861 N GLN P 137 -4.611 13.450 -13.477 1.00 0.00 PROT N ATOM 1862 HN GLN P 137 -5.601 13.533 -13.580 1.00 0.00 PROT H ATOM 1863 CA GLN P 137 -3.918 14.723 -13.134 1.00 0.00 PROT C ATOM 1864 HA GLN P 137 -3.053 14.749 -13.786 1.00 0.00 PROT H ATOM 1865 CB GLN P 137 -4.851 15.878 -13.569 1.00 0.00 PROT C ATOM 1866 HB1 GLN P 137 -5.815 15.735 -13.028 1.00 0.00 PROT H ATOM 1867 HB2 GLN P 137 -4.433 16.846 -13.208 1.00 0.00 PROT H ATOM 1868 CG GLN P 137 -5.034 15.818 -15.087 1.00 0.00 PROT C ATOM 1869 HG1 GLN P 137 -4.173 16.297 -15.600 1.00 0.00 PROT H ATOM 1870 HG2 GLN P 137 -5.095 14.766 -15.434 1.00 0.00 PROT H ATOM 1871 CD GLN P 137 -6.266 16.550 -15.569 1.00 0.00 PROT C ATOM 1872 OE1 GLN P 137 -6.748 16.360 -16.702 1.00 0.00 PROT O ATOM 1873 NE2 GLN P 137 -6.772 17.413 -14.686 1.00 0.00 PROT N ATOM 1874 HE21 GLN P 137 -7.587 17.914 -14.962 1.00 0.00 PROT H ATOM 1875 HE22 GLN P 137 -6.324 17.541 -13.808 1.00 0.00 PROT H ATOM 1876 C GLN P 137 -3.417 14.849 -11.701 1.00 0.00 PROT C ATOM 1877 O GLN P 137 -2.327 15.376 -11.393 1.00 0.00 PROT O ATOM 1878 N ALA P 138 -4.182 14.339 -10.750 1.00 0.00 PROT N ATOM 1879 HN ALA P 138 -5.028 13.863 -10.990 1.00 0.00 PROT H ATOM 1880 CA ALA P 138 -3.887 14.413 -9.318 1.00 0.00 PROT C ATOM 1881 HA ALA P 138 -3.412 15.366 -9.114 1.00 0.00 PROT H ATOM 1882 CB ALA P 138 -5.211 14.326 -8.528 1.00 0.00 PROT C ATOM 1883 HB1 ALA P 138 -5.899 15.131 -8.863 1.00 0.00 PROT H ATOM 1884 HB2 ALA P 138 -5.716 13.351 -8.702 1.00 0.00 PROT H ATOM 1885 HB3 ALA P 138 -5.045 14.449 -7.436 1.00 0.00 PROT H ATOM 1886 C ALA P 138 -2.946 13.341 -8.786 1.00 0.00 PROT C ATOM 1887 O ALA P 138 -2.476 13.398 -7.647 1.00 0.00 PROT O ATOM 1888 N VAL P 139 -2.773 12.368 -9.634 1.00 0.00 PROT N ATOM 1889 HN VAL P 139 -3.216 12.383 -10.526 1.00 0.00 PROT H ATOM 1890 CA VAL P 139 -1.918 11.151 -9.383 1.00 0.00 PROT C ATOM 1891 HA VAL P 139 -1.786 10.956 -8.326 1.00 0.00 PROT H ATOM 1892 CB VAL P 139 -2.774 10.001 -9.916 1.00 0.00 PROT C ATOM 1893 HB VAL P 139 -3.819 10.382 -10.028 1.00 0.00 PROT H ATOM 1894 CG1 VAL P 139 -2.357 9.448 -11.277 1.00 0.00 PROT C ATOM 1895 HG11 VAL P 139 -3.009 8.595 -11.563 1.00 0.00 PROT H ATOM 1896 HG12 VAL P 139 -2.446 10.214 -12.075 1.00 0.00 PROT H ATOM 1897 HG13 VAL P 139 -1.308 9.084 -11.248 1.00 0.00 PROT H ATOM 1898 CG2 VAL P 139 -3.039 8.887 -8.915 1.00 0.00 PROT C ATOM 1899 HG21 VAL P 139 -3.631 8.071 -9.382 1.00 0.00 PROT H ATOM 1900 HG22 VAL P 139 -2.082 8.458 -8.546 1.00 0.00 PROT H ATOM 1901 HG23 VAL P 139 -3.614 9.260 -8.042 1.00 0.00 PROT H ATOM 1902 C VAL P 139 -0.597 11.639 -9.921 1.00 0.00 PROT C ATOM 1903 O VAL P 139 0.361 11.568 -9.144 1.00 0.00 PROT O ATOM 1904 N ASP P 140 -0.498 12.242 -11.079 1.00 0.00 PROT N ATOM 1905 HN ASP P 140 -1.326 12.316 -11.629 1.00 0.00 PROT H ATOM 1906 CA ASP P 140 0.665 12.845 -11.720 1.00 0.00 PROT C ATOM 1907 HA ASP P 140 1.463 12.112 -11.683 1.00 0.00 PROT H ATOM 1908 CB ASP P 140 0.435 13.440 -13.116 1.00 0.00 PROT C ATOM 1909 HB1 ASP P 140 -0.379 14.190 -13.063 1.00 0.00 PROT H ATOM 1910 HB2 ASP P 140 1.351 13.945 -13.481 1.00 0.00 PROT H ATOM 1911 CG ASP P 140 0.024 12.403 -14.138 1.00 0.00 PROT C ATOM 1912 OD1 ASP P 140 0.145 11.220 -13.779 1.00 0.00 PROT O ATOM 1913 OD2 ASP P 140 -0.442 12.809 -15.224 1.00 0.00 PROT O ATOM 1914 C ASP P 140 1.158 14.079 -10.937 1.00 0.00 PROT C ATOM 1915 O ASP P 140 2.361 14.335 -10.780 1.00 0.00 PROT O ATOM 1916 N ASN P 141 0.146 14.811 -10.490 1.00 0.00 PROT N ATOM 1917 HN ASN P 141 -0.819 14.592 -10.632 1.00 0.00 PROT H ATOM 1918 CA ASN P 141 0.385 16.042 -9.726 1.00 0.00 PROT C ATOM 1919 HA ASN P 141 1.125 16.596 -10.294 1.00 0.00 PROT H ATOM 1920 CB ASN P 141 -0.913 16.823 -9.614 1.00 0.00 PROT C ATOM 1921 HB1 ASN P 141 -1.715 16.221 -10.095 1.00 0.00 PROT H ATOM 1922 HB2 ASN P 141 -1.191 16.958 -8.549 1.00 0.00 PROT H ATOM 1923 CG ASN P 141 -0.848 18.164 -10.314 1.00 0.00 PROT C ATOM 1924 OD1 ASN P 141 -1.686 19.019 -9.986 1.00 0.00 PROT O ATOM 1925 ND2 ASN P 141 0.119 18.205 -11.222 1.00 0.00 PROT N ATOM 1926 HD21 ASN P 141 0.240 19.057 -11.724 1.00 0.00 PROT H ATOM 1927 HD22 ASN P 141 0.708 17.415 -11.359 1.00 0.00 PROT H ATOM 1928 C ASN P 141 0.976 15.759 -8.353 1.00 0.00 PROT C ATOM 1929 O ASN P 141 1.915 16.464 -7.972 1.00 0.00 PROT O ATOM 1930 N ALA P 142 0.438 14.787 -7.662 1.00 0.00 PROT N ATOM 1931 HN ALA P 142 -0.321 14.227 -7.993 1.00 0.00 PROT H ATOM 1932 CA ALA P 142 0.932 14.450 -6.319 1.00 0.00 PROT C ATOM 1933 HA ALA P 142 0.980 15.341 -5.703 1.00 0.00 PROT H ATOM 1934 CB ALA P 142 -0.042 13.465 -5.682 1.00 0.00 PROT C ATOM 1935 HB1 ALA P 142 -1.051 13.925 -5.622 1.00 0.00 PROT H ATOM 1936 HB2 ALA P 142 -0.125 12.537 -6.289 1.00 0.00 PROT H ATOM 1937 HB3 ALA P 142 0.271 13.188 -4.652 1.00 0.00 PROT H ATOM 1938 C ALA P 142 2.348 13.876 -6.357 1.00 0.00 PROT C ATOM 1939 O ALA P 142 3.064 14.027 -5.362 1.00 0.00 PROT O ATOM 1940 N TYR P 143 2.673 13.198 -7.440 1.00 0.00 PROT N ATOM 1941 HN TYR P 143 2.009 13.095 -8.179 1.00 0.00 PROT H ATOM 1942 CA TYR P 143 3.970 12.547 -7.688 1.00 0.00 PROT C ATOM 1943 HA TYR P 143 4.292 12.137 -6.738 1.00 0.00 PROT H ATOM 1944 CB TYR P 143 3.800 11.475 -8.800 1.00 0.00 PROT C ATOM 1945 HB1 TYR P 143 2.887 10.876 -8.592 1.00 0.00 PROT H ATOM 1946 HB2 TYR P 143 3.658 11.957 -9.792 1.00 0.00 PROT H ATOM 1947 CG TYR P 143 4.953 10.505 -8.872 1.00 0.00 PROT C ATOM 1948 CD1 TYR P 143 5.613 10.013 -7.748 1.00 0.00 PROT C ATOM 1949 HD1 TYR P 143 5.301 10.326 -6.761 1.00 0.00 PROT H ATOM 1950 CE1 TYR P 143 6.697 9.130 -7.857 1.00 0.00 PROT C ATOM 1951 HE1 TYR P 143 7.192 8.757 -6.973 1.00 0.00 PROT H ATOM 1952 CZ TYR P 143 7.121 8.755 -9.120 1.00 0.00 PROT C ATOM 1953 OH TYR P 143 8.164 7.915 -9.353 1.00 0.00 PROT O ATOM 1954 HH TYR P 143 8.205 7.762 -10.299 1.00 0.00 PROT H ATOM 1955 CD2 TYR P 143 5.405 10.097 -10.117 1.00 0.00 PROT C ATOM 1956 HD2 TYR P 143 4.944 10.487 -11.014 1.00 0.00 PROT H ATOM 1957 CE2 TYR P 143 6.480 9.226 -10.270 1.00 0.00 PROT C ATOM 1958 HE2 TYR P 143 6.809 8.950 -11.261 1.00 0.00 PROT H ATOM 1959 C TYR P 143 5.026 13.551 -8.124 1.00 0.00 PROT C ATOM 1960 O TYR P 143 6.196 13.411 -7.793 1.00 0.00 PROT O ATOM 1961 N ALA P 144 4.578 14.545 -8.882 1.00 0.00 PROT N ATOM 1962 HN ALA P 144 3.623 14.597 -9.172 1.00 0.00 PROT H ATOM 1963 CA ALA P 144 5.443 15.641 -9.353 1.00 0.00 PROT C ATOM 1964 HA ALA P 144 6.404 15.312 -9.732 1.00 0.00 PROT H ATOM 1965 CB ALA P 144 4.891 16.459 -10.496 1.00 0.00 PROT C ATOM 1966 HB1 ALA P 144 4.758 15.811 -11.388 1.00 0.00 PROT H ATOM 1967 HB2 ALA P 144 3.900 16.890 -10.236 1.00 0.00 PROT H ATOM 1968 HB3 ALA P 144 5.576 17.289 -10.774 1.00 0.00 PROT H ATOM 1969 C ALA P 144 5.733 16.444 -8.078 1.00 0.00 PROT C ATOM 1970 O ALA P 144 6.821 17.005 -7.951 1.00 0.00 PROT O ATOM 1971 N ARG P 145 4.786 16.422 -7.178 1.00 0.00 PROT N ATOM 1972 HN ARG P 145 3.956 15.923 -7.418 1.00 0.00 PROT H ATOM 1973 CA ARG P 145 4.815 17.045 -5.870 1.00 0.00 PROT C ATOM 1974 HA ARG P 145 5.248 18.033 -5.977 1.00 0.00 PROT H ATOM 1975 CB ARG P 145 3.466 17.229 -5.129 1.00 0.00 PROT C ATOM 1976 HB1 ARG P 145 2.696 17.411 -5.917 1.00 0.00 PROT H ATOM 1977 HB2 ARG P 145 3.179 16.274 -4.635 1.00 0.00 PROT H ATOM 1978 CG ARG P 145 3.563 18.423 -4.170 1.00 0.00 PROT C ATOM 1979 HG1 ARG P 145 4.056 18.085 -3.233 1.00 0.00 PROT H ATOM 1980 HG2 ARG P 145 4.246 19.186 -4.609 1.00 0.00 PROT H ATOM 1981 CD ARG P 145 2.377 19.195 -3.790 1.00 0.00 PROT C ATOM 1982 HD1 ARG P 145 2.552 20.274 -4.006 1.00 0.00 PROT H ATOM 1983 HD2 ARG P 145 1.474 18.860 -4.352 1.00 0.00 PROT H ATOM 1984 NE ARG P 145 2.011 19.085 -2.390 1.00 0.00 PROT N ATOM 1985 HE ARG P 145 1.124 18.631 -2.248 1.00 0.00 PROT H ATOM 1986 CZ ARG P 145 2.609 19.461 -1.266 1.00 0.00 PROT C ATOM 1987 NH1 ARG P 145 3.838 19.982 -1.161 1.00 0.00 PROT N ATOM 1988 HH11 ARG P 145 4.214 20.211 -0.274 1.00 0.00 PROT H ATOM 1989 HH12 ARG P 145 4.388 19.994 -1.999 1.00 0.00 PROT H ATOM 1990 NH2 ARG P 145 1.951 19.367 -0.086 1.00 0.00 PROT N ATOM 1991 HH21 ARG P 145 2.363 19.727 0.739 1.00 0.00 PROT H ATOM 1992 HH22 ARG P 145 0.990 19.129 -0.127 1.00 0.00 PROT H ATOM 1993 C ARG P 145 5.709 16.280 -4.897 1.00 0.00 PROT C ATOM 1994 O ARG P 145 5.938 16.846 -3.795 1.00 0.00 PROT O ATOM 1995 N GLY P 146 6.155 15.094 -5.298 1.00 0.00 PROT N ATOM 1996 HN GLY P 146 5.863 14.761 -6.194 1.00 0.00 PROT H ATOM 1997 CA GLY P 146 7.034 14.218 -4.563 1.00 0.00 PROT C ATOM 1998 HA1 GLY P 146 7.599 14.902 -3.944 1.00 0.00 PROT H ATOM 1999 HA2 GLY P 146 7.615 13.739 -5.340 1.00 0.00 PROT H ATOM 2000 C GLY P 146 6.471 13.140 -3.673 1.00 0.00 PROT C ATOM 2001 O GLY P 146 7.164 12.575 -2.790 1.00 0.00 PROT O ATOM 2002 N VAL P 147 5.211 12.799 -3.817 1.00 0.00 PROT N ATOM 2003 HN VAL P 147 4.615 13.228 -4.491 1.00 0.00 PROT H ATOM 2004 CA VAL P 147 4.559 11.756 -3.002 1.00 0.00 PROT C ATOM 2005 HA VAL P 147 5.054 11.639 -2.046 1.00 0.00 PROT H ATOM 2006 CB VAL P 147 3.082 12.088 -2.739 1.00 0.00 PROT C ATOM 2007 HB VAL P 147 2.578 12.194 -3.731 1.00 0.00 PROT H ATOM 2008 CG1 VAL P 147 2.318 11.010 -1.949 1.00 0.00 PROT C ATOM 2009 HG11 VAL P 147 1.272 11.336 -1.764 1.00 0.00 PROT H ATOM 2010 HG12 VAL P 147 2.272 10.050 -2.505 1.00 0.00 PROT H ATOM 2011 HG13 VAL P 147 2.800 10.829 -0.965 1.00 0.00 PROT H ATOM 2012 CG2 VAL P 147 2.890 13.460 -2.080 1.00 0.00 PROT C ATOM 2013 HG21 VAL P 147 1.816 13.648 -1.869 1.00 0.00 PROT H ATOM 2014 HG22 VAL P 147 3.449 13.514 -1.121 1.00 0.00 PROT H ATOM 2015 HG23 VAL P 147 3.250 14.277 -2.740 1.00 0.00 PROT H ATOM 2016 C VAL P 147 4.828 10.482 -3.820 1.00 0.00 PROT C ATOM 2017 O VAL P 147 5.130 10.580 -5.031 1.00 0.00 PROT O ATOM 2018 N VAL P 148 4.786 9.365 -3.154 1.00 0.00 PROT N ATOM 2019 HN VAL P 148 4.608 9.442 -2.176 1.00 0.00 PROT H ATOM 2020 CA VAL P 148 4.960 8.016 -3.622 1.00 0.00 PROT C ATOM 2021 HA VAL P 148 5.322 7.990 -4.642 1.00 0.00 PROT H ATOM 2022 CB VAL P 148 5.837 7.058 -2.788 1.00 0.00 PROT C ATOM 2023 HB VAL P 148 5.243 6.750 -1.893 1.00 0.00 PROT H ATOM 2024 CG1 VAL P 148 6.209 5.812 -3.588 1.00 0.00 PROT C ATOM 2025 HG11 VAL P 148 6.872 5.152 -2.988 1.00 0.00 PROT H ATOM 2026 HG12 VAL P 148 5.312 5.218 -3.863 1.00 0.00 PROT H ATOM 2027 HG13 VAL P 148 6.751 6.089 -4.517 1.00 0.00 PROT H ATOM 2028 CG2 VAL P 148 7.132 7.645 -2.233 1.00 0.00 PROT C ATOM 2029 HG21 VAL P 148 7.710 6.872 -1.684 1.00 0.00 PROT H ATOM 2030 HG22 VAL P 148 7.767 8.038 -3.056 1.00 0.00 PROT H ATOM 2031 HG23 VAL P 148 6.926 8.475 -1.526 1.00 0.00 PROT H ATOM 2032 C VAL P 148 3.503 7.511 -3.635 1.00 0.00 PROT C ATOM 2033 O VAL P 148 2.812 7.492 -2.589 1.00 0.00 PROT O ATOM 2034 N VAL P 149 3.108 7.156 -4.841 1.00 0.00 PROT N ATOM 2035 HN VAL P 149 3.665 7.213 -5.665 1.00 0.00 PROT H ATOM 2036 CA VAL P 149 1.761 6.630 -5.057 1.00 0.00 PROT C ATOM 2037 HA VAL P 149 1.252 6.634 -4.101 1.00 0.00 PROT H ATOM 2038 CB VAL P 149 0.964 7.490 -6.047 1.00 0.00 PROT C ATOM 2039 HB VAL P 149 1.336 7.254 -7.074 1.00 0.00 PROT H ATOM 2040 CG1 VAL P 149 -0.509 7.116 -5.915 1.00 0.00 PROT C ATOM 2041 HG11 VAL P 149 -1.129 7.746 -6.589 1.00 0.00 PROT H ATOM 2042 HG12 VAL P 149 -0.689 6.057 -6.193 1.00 0.00 PROT H ATOM 2043 HG13 VAL P 149 -0.863 7.276 -4.874 1.00 0.00 PROT H ATOM 2044 CG2 VAL P 149 1.319 8.955 -5.895 1.00 0.00 PROT C ATOM 2045 HG21 VAL P 149 0.712 9.580 -6.585 1.00 0.00 PROT H ATOM 2046 HG22 VAL P 149 1.129 9.297 -4.855 1.00 0.00 PROT H ATOM 2047 HG23 VAL P 149 2.388 9.136 -6.132 1.00 0.00 PROT H ATOM 2048 C VAL P 149 1.815 5.179 -5.542 1.00 0.00 PROT C ATOM 2049 O VAL P 149 2.180 4.880 -6.682 1.00 0.00 PROT O ATOM 2050 N VAL P 150 1.352 4.336 -4.647 1.00 0.00 PROT N ATOM 2051 HN VAL P 150 1.051 4.659 -3.753 1.00 0.00 PROT H ATOM 2052 CA VAL P 150 1.227 2.894 -4.841 1.00 0.00 PROT C ATOM 2053 HA VAL P 150 1.667 2.639 -5.797 1.00 0.00 PROT H ATOM 2054 CB VAL P 150 1.951 2.164 -3.690 1.00 0.00 PROT C ATOM 2055 HB VAL P 150 1.225 2.061 -2.846 1.00 0.00 PROT H ATOM 2056 CG1 VAL P 150 2.406 0.767 -4.140 1.00 0.00 PROT C ATOM 2057 HG11 VAL P 150 2.961 0.260 -3.321 1.00 0.00 PROT H ATOM 2058 HG12 VAL P 150 1.544 0.121 -4.404 1.00 0.00 PROT H ATOM 2059 HG13 VAL P 150 3.081 0.838 -5.020 1.00 0.00 PROT H ATOM 2060 CG2 VAL P 150 3.077 2.996 -3.068 1.00 0.00 PROT C ATOM 2061 HG21 VAL P 150 3.597 2.421 -2.273 1.00 0.00 PROT H ATOM 2062 HG22 VAL P 150 3.825 3.280 -3.840 1.00 0.00 PROT H ATOM 2063 HG23 VAL P 150 2.682 3.925 -2.606 1.00 0.00 PROT H ATOM 2064 C VAL P 150 -0.253 2.526 -4.905 1.00 0.00 PROT C ATOM 2065 O VAL P 150 -0.990 2.918 -3.972 1.00 0.00 PROT O ATOM 2066 N ALA P 151 -0.683 1.769 -5.899 1.00 0.00 PROT N ATOM 2067 HN ALA P 151 -0.101 1.456 -6.650 1.00 0.00 PROT H ATOM 2068 CA ALA P 151 -2.084 1.329 -5.961 1.00 0.00 PROT C ATOM 2069 HA ALA P 151 -2.567 1.420 -4.995 1.00 0.00 PROT H ATOM 2070 CB ALA P 151 -2.965 2.153 -6.874 1.00 0.00 PROT C ATOM 2071 HB1 ALA P 151 -2.944 3.216 -6.552 1.00 0.00 PROT H ATOM 2072 HB2 ALA P 151 -2.605 2.107 -7.925 1.00 0.00 PROT H ATOM 2073 HB3 ALA P 151 -4.021 1.807 -6.846 1.00 0.00 PROT H ATOM 2074 C ALA P 151 -2.145 -0.157 -6.338 1.00 0.00 PROT C ATOM 2075 O ALA P 151 -1.270 -0.619 -7.096 1.00 0.00 PROT O ATOM 2076 N ALA P 152 -3.130 -0.855 -5.828 1.00 0.00 PROT N ATOM 2077 HN ALA P 152 -3.766 -0.406 -5.201 1.00 0.00 PROT H ATOM 2078 CA ALA P 152 -3.398 -2.250 -6.088 1.00 0.00 PROT C ATOM 2079 HA ALA P 152 -2.544 -2.874 -5.849 1.00 0.00 PROT H ATOM 2080 CB ALA P 152 -4.654 -2.677 -5.360 1.00 0.00 PROT C ATOM 2081 HB1 ALA P 152 -4.490 -2.610 -4.263 1.00 0.00 PROT H ATOM 2082 HB2 ALA P 152 -5.510 -2.016 -5.619 1.00 0.00 PROT H ATOM 2083 HB3 ALA P 152 -4.931 -3.726 -5.602 1.00 0.00 PROT H ATOM 2084 C ALA P 152 -3.660 -2.430 -7.593 1.00 0.00 PROT C ATOM 2085 O ALA P 152 -4.434 -1.604 -8.112 1.00 0.00 PROT O ATOM 2086 N ALA P 153 -3.139 -3.476 -8.205 1.00 0.00 PROT N ATOM 2087 HN ALA P 153 -2.594 -4.111 -7.659 1.00 0.00 PROT H ATOM 2088 CA ALA P 153 -3.270 -3.816 -9.610 1.00 0.00 PROT C ATOM 2089 HA ALA P 153 -2.880 -2.971 -10.166 1.00 0.00 PROT H ATOM 2090 CB ALA P 153 -2.433 -5.102 -9.839 1.00 0.00 PROT C ATOM 2091 HB1 ALA P 153 -1.394 -4.939 -9.481 1.00 0.00 PROT H ATOM 2092 HB2 ALA P 153 -2.858 -5.961 -9.275 1.00 0.00 PROT H ATOM 2093 HB3 ALA P 153 -2.386 -5.374 -10.916 1.00 0.00 PROT H ATOM 2094 C ALA P 153 -4.649 -4.116 -10.194 1.00 0.00 PROT C ATOM 2095 O ALA P 153 -5.030 -3.756 -11.318 1.00 0.00 PROT O ATOM 2096 N GLY P 154 -5.429 -4.848 -9.423 1.00 0.00 PROT N ATOM 2097 HN GLY P 154 -5.116 -5.119 -8.514 1.00 0.00 PROT H ATOM 2098 CA GLY P 154 -6.776 -5.319 -9.801 1.00 0.00 PROT C ATOM 2099 HA1 GLY P 154 -6.936 -5.256 -10.869 1.00 0.00 PROT H ATOM 2100 HA2 GLY P 154 -7.549 -4.849 -9.208 1.00 0.00 PROT H ATOM 2101 C GLY P 154 -6.720 -6.819 -9.412 1.00 0.00 PROT C ATOM 2102 O GLY P 154 -5.629 -7.401 -9.299 1.00 0.00 PROT O ATOM 2103 N ASN P 155 -7.889 -7.352 -9.219 1.00 0.00 PROT N ATOM 2104 HN ASN P 155 -8.736 -6.839 -9.353 1.00 0.00 PROT H ATOM 2105 CA ASN P 155 -8.080 -8.735 -8.793 1.00 0.00 PROT C ATOM 2106 HA ASN P 155 -7.102 -9.176 -8.631 1.00 0.00 PROT H ATOM 2107 CB ASN P 155 -8.777 -8.658 -7.432 1.00 0.00 PROT C ATOM 2108 HB1 ASN P 155 -9.618 -7.936 -7.521 1.00 0.00 PROT H ATOM 2109 HB2 ASN P 155 -9.211 -9.643 -7.165 1.00 0.00 PROT H ATOM 2110 CG ASN P 155 -7.822 -8.169 -6.354 1.00 0.00 PROT C ATOM 2111 OD1 ASN P 155 -6.628 -8.532 -6.423 1.00 0.00 PROT O ATOM 2112 ND2 ASN P 155 -8.205 -7.391 -5.345 1.00 0.00 PROT N ATOM 2113 HD21 ASN P 155 -7.506 -7.111 -4.692 1.00 0.00 PROT H ATOM 2114 HD22 ASN P 155 -9.151 -7.088 -5.281 1.00 0.00 PROT H ATOM 2115 C ASN P 155 -8.718 -9.451 -9.970 1.00 0.00 PROT C ATOM 2116 O ASN P 155 -9.523 -10.379 -9.882 1.00 0.00 PROT O ATOM 2117 N SER P 156 -8.314 -8.970 -11.131 1.00 0.00 PROT N ATOM 2118 HN SER P 156 -7.699 -8.188 -11.231 1.00 0.00 PROT H ATOM 2119 CA SER P 156 -8.750 -9.564 -12.410 1.00 0.00 PROT C ATOM 2120 HA SER P 156 -9.722 -10.031 -12.316 1.00 0.00 PROT H ATOM 2121 CB SER P 156 -8.645 -8.613 -13.582 1.00 0.00 PROT C ATOM 2122 HB1 SER P 156 -7.716 -8.859 -14.145 1.00 0.00 PROT H ATOM 2123 HB2 SER P 156 -9.500 -8.762 -14.280 1.00 0.00 PROT H ATOM 2124 OG SER P 156 -8.565 -7.247 -13.237 1.00 0.00 PROT O ATOM 2125 HG1 SER P 156 -8.281 -6.771 -14.027 1.00 0.00 PROT H ATOM 2126 C SER P 156 -7.706 -10.694 -12.505 1.00 0.00 PROT C ATOM 2127 O SER P 156 -6.732 -10.547 -11.721 1.00 0.00 PROT O ATOM 2128 N GLY P 157 -7.867 -11.705 -13.320 1.00 0.00 PROT N ATOM 2129 HN GLY P 157 -8.632 -11.910 -13.930 1.00 0.00 PROT H ATOM 2130 CA GLY P 157 -6.722 -12.711 -13.338 1.00 0.00 PROT C ATOM 2131 HA1 GLY P 157 -7.023 -13.725 -13.564 1.00 0.00 PROT H ATOM 2132 HA2 GLY P 157 -6.034 -12.626 -12.507 1.00 0.00 PROT H ATOM 2133 C GLY P 157 -6.030 -12.127 -14.591 1.00 0.00 PROT C ATOM 2134 O GLY P 157 -5.451 -11.055 -14.555 1.00 0.00 PROT O ATOM 2135 N ASN P 158 -6.292 -12.799 -15.666 1.00 0.00 PROT N ATOM 2136 HN ASN P 158 -6.856 -13.615 -15.549 1.00 0.00 PROT H ATOM 2137 CA ASN P 158 -5.881 -12.540 -17.043 1.00 0.00 PROT C ATOM 2138 HA ASN P 158 -5.213 -11.686 -17.029 1.00 0.00 PROT H ATOM 2139 CB ASN P 158 -5.318 -13.868 -17.582 1.00 0.00 PROT C ATOM 2140 HB1 ASN P 158 -6.118 -14.360 -18.177 1.00 0.00 PROT H ATOM 2141 HB2 ASN P 158 -4.465 -13.676 -18.265 1.00 0.00 PROT H ATOM 2142 CG ASN P 158 -4.874 -14.886 -16.553 1.00 0.00 PROT C ATOM 2143 OD1 ASN P 158 -4.813 -16.104 -16.797 1.00 0.00 PROT O ATOM 2144 ND2 ASN P 158 -4.535 -14.520 -15.322 1.00 0.00 PROT N ATOM 2145 HD21 ASN P 158 -4.241 -15.237 -14.696 1.00 0.00 PROT H ATOM 2146 HD22 ASN P 158 -4.552 -13.559 -15.065 1.00 0.00 PROT H ATOM 2147 C ASN P 158 -7.138 -12.135 -17.829 1.00 0.00 PROT C ATOM 2148 O ASN P 158 -8.291 -12.297 -17.340 1.00 0.00 PROT O ATOM 2149 N SER P 159 -6.942 -11.659 -19.035 1.00 0.00 PROT N ATOM 2150 HN SER P 159 -6.016 -11.529 -19.389 1.00 0.00 PROT H ATOM 2151 CA SER P 159 -8.011 -11.272 -19.979 1.00 0.00 PROT C ATOM 2152 HA SER P 159 -8.776 -12.037 -19.981 1.00 0.00 PROT H ATOM 2153 CB SER P 159 -8.770 -9.993 -19.765 1.00 0.00 PROT C ATOM 2154 HB1 SER P 159 -9.626 -10.208 -19.086 1.00 0.00 PROT H ATOM 2155 HB2 SER P 159 -8.127 -9.242 -19.253 1.00 0.00 PROT H ATOM 2156 OG SER P 159 -9.326 -9.388 -20.928 1.00 0.00 PROT O ATOM 2157 HG1 SER P 159 -9.957 -8.722 -20.627 1.00 0.00 PROT H ATOM 2158 C SER P 159 -7.321 -11.308 -21.364 1.00 0.00 PROT C ATOM 2159 O SER P 159 -7.104 -10.307 -22.056 1.00 0.00 PROT O ATOM 2160 N GLY P 160 -6.988 -12.553 -21.685 1.00 0.00 PROT N ATOM 2161 HN GLY P 160 -7.160 -13.348 -21.105 1.00 0.00 PROT H ATOM 2162 CA GLY P 160 -6.321 -12.833 -22.967 1.00 0.00 PROT C ATOM 2163 HA1 GLY P 160 -6.707 -12.205 -23.758 1.00 0.00 PROT H ATOM 2164 HA2 GLY P 160 -6.325 -13.890 -23.197 1.00 0.00 PROT H ATOM 2165 C GLY P 160 -4.866 -12.413 -22.693 1.00 0.00 PROT C ATOM 2166 O GLY P 160 -4.227 -12.958 -21.758 1.00 0.00 PROT O ATOM 2167 N SER P 161 -4.452 -11.463 -23.529 1.00 0.00 PROT N ATOM 2168 HN SER P 161 -4.940 -10.990 -24.263 1.00 0.00 PROT H ATOM 2169 CA SER P 161 -3.036 -11.024 -23.354 1.00 0.00 PROT C ATOM 2170 HA SER P 161 -2.709 -11.361 -22.379 1.00 0.00 PROT H ATOM 2171 CB SER P 161 -2.264 -11.823 -24.380 1.00 0.00 PROT C ATOM 2172 HB1 SER P 161 -2.529 -11.437 -25.391 1.00 0.00 PROT H ATOM 2173 HB2 SER P 161 -1.169 -11.669 -24.248 1.00 0.00 PROT H ATOM 2174 OG SER P 161 -2.656 -13.199 -24.252 1.00 0.00 PROT O ATOM 2175 HG1 SER P 161 -2.339 -13.659 -25.039 1.00 0.00 PROT H ATOM 2176 C SER P 161 -3.019 -9.516 -23.337 1.00 0.00 PROT C ATOM 2177 O SER P 161 -2.047 -8.809 -23.574 1.00 0.00 PROT O ATOM 2178 N THR P 162 -4.215 -9.049 -22.978 1.00 0.00 PROT N ATOM 2179 HN THR P 162 -4.960 -9.686 -22.784 1.00 0.00 PROT H ATOM 2180 CA THR P 162 -4.579 -7.623 -22.828 1.00 0.00 PROT C ATOM 2181 HA THR P 162 -3.854 -7.011 -23.348 1.00 0.00 PROT H ATOM 2182 CB THR P 162 -5.994 -7.333 -23.286 1.00 0.00 PROT C ATOM 2183 HB THR P 162 -6.063 -7.708 -24.336 1.00 0.00 PROT H ATOM 2184 OG1 THR P 162 -6.107 -5.928 -23.272 1.00 0.00 PROT O ATOM 2185 HG1 THR P 162 -7.009 -5.740 -23.552 1.00 0.00 PROT H ATOM 2186 CG2 THR P 162 -7.069 -7.902 -22.381 1.00 0.00 PROT C ATOM 2187 HG21 THR P 162 -8.077 -7.757 -22.825 1.00 0.00 PROT H ATOM 2188 HG22 THR P 162 -6.914 -8.992 -22.234 1.00 0.00 PROT H ATOM 2189 HG23 THR P 162 -7.054 -7.411 -21.384 1.00 0.00 PROT H ATOM 2190 C THR P 162 -4.364 -7.376 -21.331 1.00 0.00 PROT C ATOM 2191 O THR P 162 -4.375 -8.412 -20.661 1.00 0.00 PROT O ATOM 2192 N ASN P 163 -4.146 -6.136 -21.010 1.00 0.00 PROT N ATOM 2193 HN ASN P 163 -4.150 -5.392 -21.677 1.00 0.00 PROT H ATOM 2194 CA ASN P 163 -3.874 -5.716 -19.634 1.00 0.00 PROT C ATOM 2195 HA ASN P 163 -3.170 -6.422 -19.206 1.00 0.00 PROT H ATOM 2196 CB ASN P 163 -3.200 -4.334 -19.612 1.00 0.00 PROT C ATOM 2197 HB1 ASN P 163 -3.975 -3.573 -19.851 1.00 0.00 PROT H ATOM 2198 HB2 ASN P 163 -2.815 -4.109 -18.597 1.00 0.00 PROT H ATOM 2199 CG ASN P 163 -2.059 -4.079 -20.599 1.00 0.00 PROT C ATOM 2200 OD1 ASN P 163 -1.117 -4.858 -20.884 1.00 0.00 PROT O ATOM 2201 ND2 ASN P 163 -2.027 -2.903 -21.280 1.00 0.00 PROT N ATOM 2202 HD21 ASN P 163 -1.279 -2.768 -21.925 1.00 0.00 PROT H ATOM 2203 HD22 ASN P 163 -2.748 -2.231 -21.147 1.00 0.00 PROT H ATOM 2204 C ASN P 163 -5.187 -5.845 -18.860 1.00 0.00 PROT C ATOM 2205 O ASN P 163 -6.283 -5.448 -19.312 1.00 0.00 PROT O ATOM 2206 N THR P 164 -5.080 -6.427 -17.681 1.00 0.00 PROT N ATOM 2207 HN THR P 164 -4.224 -6.813 -17.339 1.00 0.00 PROT H ATOM 2208 CA THR P 164 -6.227 -6.563 -16.747 1.00 0.00 PROT C ATOM 2209 HA THR P 164 -7.106 -6.183 -17.250 1.00 0.00 PROT H ATOM 2210 CB THR P 164 -6.517 -8.034 -16.421 1.00 0.00 PROT C ATOM 2211 HB THR P 164 -7.488 -8.043 -15.868 1.00 0.00 PROT H ATOM 2212 OG1 THR P 164 -5.493 -8.506 -15.550 1.00 0.00 PROT O ATOM 2213 HG1 THR P 164 -5.706 -9.430 -15.381 1.00 0.00 PROT H ATOM 2214 CG2 THR P 164 -6.610 -8.944 -17.642 1.00 0.00 PROT C ATOM 2215 HG21 THR P 164 -6.932 -9.966 -17.350 1.00 0.00 PROT H ATOM 2216 HG22 THR P 164 -7.352 -8.546 -18.366 1.00 0.00 PROT H ATOM 2217 HG23 THR P 164 -5.629 -9.023 -18.158 1.00 0.00 PROT H ATOM 2218 C THR P 164 -5.958 -5.619 -15.561 1.00 0.00 PROT C ATOM 2219 O THR P 164 -6.612 -5.674 -14.505 1.00 0.00 PROT O ATOM 2220 N ILE P 165 -4.990 -4.708 -15.698 1.00 0.00 PROT N ATOM 2221 HN ILE P 165 -4.423 -4.577 -16.508 1.00 0.00 PROT H ATOM 2222 CA ILE P 165 -4.684 -3.785 -14.591 1.00 0.00 PROT C ATOM 2223 HA ILE P 165 -4.858 -4.332 -13.673 1.00 0.00 PROT H ATOM 2224 CB ILE P 165 -3.280 -3.315 -14.390 1.00 0.00 PROT C ATOM 2225 HB ILE P 165 -3.090 -3.460 -13.296 1.00 0.00 PROT H ATOM 2226 CG2 ILE P 165 -2.208 -4.107 -15.123 1.00 0.00 PROT C ATOM 2227 HG21 ILE P 165 -1.196 -3.790 -14.796 1.00 0.00 PROT H ATOM 2228 HG22 ILE P 165 -2.305 -5.193 -14.913 1.00 0.00 PROT H ATOM 2229 HG23 ILE P 165 -2.281 -3.954 -16.220 1.00 0.00 PROT H ATOM 2230 CG1 ILE P 165 -3.147 -1.826 -14.654 1.00 0.00 PROT C ATOM 2231 HG11 ILE P 165 -2.532 -1.659 -15.567 1.00 0.00 PROT H ATOM 2232 HG12 ILE P 165 -4.158 -1.404 -14.856 1.00 0.00 PROT H ATOM 2233 CD ILE P 165 -2.518 -1.161 -13.415 1.00 0.00 PROT C ATOM 2234 HD1 ILE P 165 -2.461 -0.060 -13.555 1.00 0.00 PROT H ATOM 2235 HD2 ILE P 165 -3.128 -1.365 -12.509 1.00 0.00 PROT H ATOM 2236 HD3 ILE P 165 -1.489 -1.539 -13.240 1.00 0.00 PROT H ATOM 2237 C ILE P 165 -5.655 -2.610 -14.595 1.00 0.00 PROT C ATOM 2238 O ILE P 165 -5.951 -2.013 -15.642 1.00 0.00 PROT O ATOM 2239 N GLY P 166 -6.151 -2.349 -13.386 1.00 0.00 PROT N ATOM 2240 HN GLY P 166 -5.915 -2.847 -12.552 1.00 0.00 PROT H ATOM 2241 CA GLY P 166 -7.114 -1.263 -13.222 1.00 0.00 PROT C ATOM 2242 HA1 GLY P 166 -7.586 -1.395 -12.258 1.00 0.00 PROT H ATOM 2243 HA2 GLY P 166 -7.796 -1.303 -14.060 1.00 0.00 PROT H ATOM 2244 C GLY P 166 -6.436 0.103 -13.232 1.00 0.00 PROT C ATOM 2245 O GLY P 166 -5.313 0.370 -13.684 1.00 0.00 PROT O ATOM 2246 N TYR P 167 -7.237 0.998 -12.690 1.00 0.00 PROT N ATOM 2247 HN TYR P 167 -8.133 0.686 -12.378 1.00 0.00 PROT H ATOM 2248 CA TYR P 167 -6.982 2.425 -12.479 1.00 0.00 PROT C ATOM 2249 HA TYR P 167 -5.940 2.635 -12.688 1.00 0.00 PROT H ATOM 2250 CB TYR P 167 -7.954 3.277 -13.317 1.00 0.00 PROT C ATOM 2251 HB1 TYR P 167 -8.989 2.898 -13.172 1.00 0.00 PROT H ATOM 2252 HB2 TYR P 167 -7.941 4.335 -12.978 1.00 0.00 PROT H ATOM 2253 CG TYR P 167 -7.633 3.190 -14.791 1.00 0.00 PROT C ATOM 2254 CD1 TYR P 167 -8.229 2.303 -15.692 1.00 0.00 PROT C ATOM 2255 HD1 TYR P 167 -8.986 1.612 -15.345 1.00 0.00 PROT H ATOM 2256 CE1 TYR P 167 -7.840 2.285 -17.034 1.00 0.00 PROT C ATOM 2257 HE1 TYR P 167 -8.299 1.599 -17.730 1.00 0.00 PROT H ATOM 2258 CZ TYR P 167 -6.843 3.157 -17.479 1.00 0.00 PROT C ATOM 2259 OH TYR P 167 -6.378 3.218 -18.767 1.00 0.00 PROT O ATOM 2260 HH TYR P 167 -5.753 3.945 -18.814 1.00 0.00 PROT H ATOM 2261 CD2 TYR P 167 -6.662 4.071 -15.276 1.00 0.00 PROT C ATOM 2262 HD2 TYR P 167 -6.169 4.757 -14.601 1.00 0.00 PROT H ATOM 2263 CE2 TYR P 167 -6.256 4.074 -16.605 1.00 0.00 PROT C ATOM 2264 HE2 TYR P 167 -5.489 4.761 -16.930 1.00 0.00 PROT H ATOM 2265 C TYR P 167 -7.196 2.649 -10.974 1.00 0.00 PROT C ATOM 2266 O TYR P 167 -8.146 2.083 -10.387 1.00 0.00 PROT O ATOM 2267 N PRO P 168 -6.335 3.460 -10.378 1.00 0.00 PROT N ATOM 2268 CD PRO P 168 -6.535 3.758 -8.907 1.00 0.00 PROT C ATOM 2269 HD1 PRO P 168 -7.508 4.256 -8.695 1.00 0.00 PROT H ATOM 2270 HD2 PRO P 168 -6.446 2.813 -8.324 1.00 0.00 PROT H ATOM 2271 CA PRO P 168 -5.254 4.232 -10.955 1.00 0.00 PROT C ATOM 2272 HA PRO P 168 -5.657 4.650 -11.870 1.00 0.00 PROT H ATOM 2273 CB PRO P 168 -5.112 5.367 -9.919 1.00 0.00 PROT C ATOM 2274 HB1 PRO P 168 -5.843 6.171 -10.160 1.00 0.00 PROT H ATOM 2275 HB2 PRO P 168 -4.092 5.802 -9.897 1.00 0.00 PROT H ATOM 2276 CG PRO P 168 -5.383 4.694 -8.561 1.00 0.00 PROT C ATOM 2277 HG1 PRO P 168 -5.719 5.409 -7.784 1.00 0.00 PROT H ATOM 2278 HG2 PRO P 168 -4.457 4.179 -8.215 1.00 0.00 PROT H ATOM 2279 C PRO P 168 -3.924 3.605 -11.247 1.00 0.00 PROT C ATOM 2280 O PRO P 168 -3.028 4.292 -11.788 1.00 0.00 PROT O ATOM 2281 N ALA P 169 -3.728 2.374 -10.919 1.00 0.00 PROT N ATOM 2282 HN ALA P 169 -4.499 1.904 -10.491 1.00 0.00 PROT H ATOM 2283 CA ALA P 169 -2.520 1.569 -11.091 1.00 0.00 PROT C ATOM 2284 HA ALA P 169 -1.729 1.925 -10.441 1.00 0.00 PROT H ATOM 2285 CB ALA P 169 -2.802 0.124 -10.709 1.00 0.00 PROT C ATOM 2286 HB1 ALA P 169 -3.140 0.077 -9.652 1.00 0.00 PROT H ATOM 2287 HB2 ALA P 169 -3.606 -0.307 -11.344 1.00 0.00 PROT H ATOM 2288 HB3 ALA P 169 -1.895 -0.510 -10.808 1.00 0.00 PROT H ATOM 2289 C ALA P 169 -1.987 1.676 -12.518 1.00 0.00 PROT C ATOM 2290 O ALA P 169 -0.778 1.559 -12.772 1.00 0.00 PROT O ATOM 2291 N LYS P 170 -2.930 1.891 -13.451 1.00 0.00 PROT N ATOM 2292 HN LYS P 170 -3.909 1.966 -13.270 1.00 0.00 PROT H ATOM 2293 CA LYS P 170 -2.542 2.034 -14.866 1.00 0.00 PROT C ATOM 2294 HA LYS P 170 -1.909 1.187 -15.100 1.00 0.00 PROT H ATOM 2295 CB LYS P 170 -3.718 1.989 -15.815 1.00 0.00 PROT C ATOM 2296 HB1 LYS P 170 -4.592 1.609 -15.237 1.00 0.00 PROT H ATOM 2297 HB2 LYS P 170 -3.975 3.027 -16.123 1.00 0.00 PROT H ATOM 2298 CG LYS P 170 -3.419 1.070 -17.018 1.00 0.00 PROT C ATOM 2299 HG1 LYS P 170 -2.421 1.332 -17.437 1.00 0.00 PROT H ATOM 2300 HG2 LYS P 170 -3.364 0.015 -16.664 1.00 0.00 PROT H ATOM 2301 CD LYS P 170 -4.508 1.256 -18.078 1.00 0.00 PROT C ATOM 2302 HD1 LYS P 170 -5.406 1.694 -17.586 1.00 0.00 PROT H ATOM 2303 HD2 LYS P 170 -4.142 1.997 -18.825 1.00 0.00 PROT H ATOM 2304 CE LYS P 170 -4.784 -0.112 -18.703 1.00 0.00 PROT C ATOM 2305 HE1 LYS P 170 -5.545 -0.026 -19.510 1.00 0.00 PROT H ATOM 2306 HE2 LYS P 170 -3.854 -0.536 -19.141 1.00 0.00 PROT H ATOM 2307 NZ LYS P 170 -5.287 -0.969 -17.587 1.00 0.00 PROT N ATOM 2308 HZ1 LYS P 170 -5.500 -1.924 -17.940 1.00 0.00 PROT H ATOM 2309 HZ2 LYS P 170 -4.564 -1.029 -16.842 1.00 0.00 PROT H ATOM 2310 HZ3 LYS P 170 -6.152 -0.548 -17.191 1.00 0.00 PROT H ATOM 2311 C LYS P 170 -1.722 3.300 -15.120 1.00 0.00 PROT C ATOM 2312 O LYS P 170 -0.867 3.245 -16.011 1.00 0.00 PROT O ATOM 2313 N TYR P 171 -1.981 4.351 -14.362 1.00 0.00 PROT N ATOM 2314 HN TYR P 171 -2.689 4.340 -13.658 1.00 0.00 PROT H ATOM 2315 CA TYR P 171 -1.252 5.636 -14.483 1.00 0.00 PROT C ATOM 2316 HA TYR P 171 -1.279 5.929 -15.525 1.00 0.00 PROT H ATOM 2317 CB TYR P 171 -2.027 6.651 -13.651 1.00 0.00 PROT C ATOM 2318 HB1 TYR P 171 -2.188 6.239 -12.631 1.00 0.00 PROT H ATOM 2319 HB2 TYR P 171 -1.446 7.592 -13.537 1.00 0.00 PROT H ATOM 2320 CG TYR P 171 -3.393 6.944 -14.250 1.00 0.00 PROT C ATOM 2321 CD1 TYR P 171 -3.598 6.952 -15.635 1.00 0.00 PROT C ATOM 2322 HD1 TYR P 171 -2.772 6.747 -16.302 1.00 0.00 PROT H ATOM 2323 CE1 TYR P 171 -4.849 7.242 -16.167 1.00 0.00 PROT C ATOM 2324 HE1 TYR P 171 -4.998 7.273 -17.236 1.00 0.00 PROT H ATOM 2325 CZ TYR P 171 -5.918 7.502 -15.313 1.00 0.00 PROT C ATOM 2326 OH TYR P 171 -7.170 7.773 -15.803 1.00 0.00 PROT O ATOM 2327 HH TYR P 171 -7.763 7.849 -15.052 1.00 0.00 PROT H ATOM 2328 CD2 TYR P 171 -4.495 7.191 -13.433 1.00 0.00 PROT C ATOM 2329 HD2 TYR P 171 -4.377 7.210 -12.358 1.00 0.00 PROT H ATOM 2330 CE2 TYR P 171 -5.750 7.467 -13.947 1.00 0.00 PROT C ATOM 2331 HE2 TYR P 171 -6.571 7.671 -13.276 1.00 0.00 PROT H ATOM 2332 C TYR P 171 0.202 5.413 -14.119 1.00 0.00 PROT C ATOM 2333 O TYR P 171 0.642 5.183 -12.967 1.00 0.00 PROT O ATOM 2334 N ASP P 172 1.058 5.466 -15.146 1.00 0.00 PROT N ATOM 2335 HN ASP P 172 0.887 5.686 -16.103 1.00 0.00 PROT H ATOM 2336 CA ASP P 172 2.493 5.158 -14.866 1.00 0.00 PROT C ATOM 2337 HA ASP P 172 2.515 4.164 -14.435 1.00 0.00 PROT H ATOM 2338 CB ASP P 172 3.201 4.783 -16.125 1.00 0.00 PROT C ATOM 2339 HB1 ASP P 172 4.265 4.571 -15.896 1.00 0.00 PROT H ATOM 2340 HB2 ASP P 172 2.752 3.873 -16.569 1.00 0.00 PROT H ATOM 2341 CG ASP P 172 3.236 5.814 -17.234 1.00 0.00 PROT C ATOM 2342 OD1 ASP P 172 3.751 6.914 -16.950 1.00 0.00 PROT O ATOM 2343 OD2 ASP P 172 2.740 5.404 -18.318 1.00 0.00 PROT O ATOM 2344 C ASP P 172 3.097 6.097 -13.835 1.00 0.00 PROT C ATOM 2345 O ASP P 172 4.319 6.007 -13.576 1.00 0.00 PROT O ATOM 2346 N SER P 173 2.279 6.928 -13.200 1.00 0.00 PROT N ATOM 2347 HN SER P 173 1.296 7.040 -13.343 1.00 0.00 PROT H ATOM 2348 CA SER P 173 2.848 7.815 -12.144 1.00 0.00 PROT C ATOM 2349 HA SER P 173 3.919 7.905 -12.269 1.00 0.00 PROT H ATOM 2350 CB SER P 173 2.216 9.174 -12.025 1.00 0.00 PROT C ATOM 2351 HB1 SER P 173 2.724 9.720 -11.198 1.00 0.00 PROT H ATOM 2352 HB2 SER P 173 2.382 9.762 -12.956 1.00 0.00 PROT H ATOM 2353 OG SER P 173 0.859 9.041 -11.729 1.00 0.00 PROT O ATOM 2354 HG1 SER P 173 0.545 9.908 -11.443 1.00 0.00 PROT H ATOM 2355 C SER P 173 2.604 6.973 -10.878 1.00 0.00 PROT C ATOM 2356 O SER P 173 3.182 7.158 -9.823 1.00 0.00 PROT O ATOM 2357 N VAL P 174 1.745 5.996 -11.117 1.00 0.00 PROT N ATOM 2358 HN VAL P 174 1.340 5.849 -12.016 1.00 0.00 PROT H ATOM 2359 CA VAL P 174 1.313 5.053 -10.104 1.00 0.00 PROT C ATOM 2360 HA VAL P 174 1.633 5.447 -9.148 1.00 0.00 PROT H ATOM 2361 CB VAL P 174 -0.244 4.969 -10.116 1.00 0.00 PROT C ATOM 2362 HB VAL P 174 -0.555 4.609 -11.128 1.00 0.00 PROT H ATOM 2363 CG1 VAL P 174 -0.733 3.984 -9.060 1.00 0.00 PROT C ATOM 2364 HG11 VAL P 174 -1.844 3.955 -9.044 1.00 0.00 PROT H ATOM 2365 HG12 VAL P 174 -0.379 2.953 -9.266 1.00 0.00 PROT H ATOM 2366 HG13 VAL P 174 -0.383 4.285 -8.050 1.00 0.00 PROT H ATOM 2367 CG2 VAL P 174 -0.933 6.309 -9.925 1.00 0.00 PROT C ATOM 2368 HG21 VAL P 174 -2.036 6.184 -9.902 1.00 0.00 PROT H ATOM 2369 HG22 VAL P 174 -0.615 6.779 -8.969 1.00 0.00 PROT H ATOM 2370 HG23 VAL P 174 -0.692 7.007 -10.754 1.00 0.00 PROT H ATOM 2371 C VAL P 174 1.973 3.678 -10.279 1.00 0.00 PROT C ATOM 2372 O VAL P 174 2.000 3.094 -11.369 1.00 0.00 PROT O ATOM 2373 N ILE P 175 2.429 3.181 -9.129 1.00 0.00 PROT N ATOM 2374 HN ILE P 175 2.387 3.675 -8.263 1.00 0.00 PROT H ATOM 2375 CA ILE P 175 3.037 1.854 -9.033 1.00 0.00 PROT C ATOM 2376 HA ILE P 175 3.514 1.645 -9.982 1.00 0.00 PROT H ATOM 2377 CB ILE P 175 3.974 1.670 -7.851 1.00 0.00 PROT C ATOM 2378 HB ILE P 175 3.337 1.876 -6.954 1.00 0.00 PROT H ATOM 2379 CG2 ILE P 175 4.526 0.262 -7.687 1.00 0.00 PROT C ATOM 2380 HG21 ILE P 175 5.071 0.166 -6.725 1.00 0.00 PROT H ATOM 2381 HG22 ILE P 175 3.707 -0.487 -7.686 1.00 0.00 PROT H ATOM 2382 HG23 ILE P 175 5.229 0.012 -8.510 1.00 0.00 PROT H ATOM 2383 CG1 ILE P 175 5.076 2.694 -7.820 1.00 0.00 PROT C ATOM 2384 HG11 ILE P 175 5.895 2.386 -8.507 1.00 0.00 PROT H ATOM 2385 HG12 ILE P 175 4.678 3.664 -8.196 1.00 0.00 PROT H ATOM 2386 CD ILE P 175 5.556 2.814 -6.343 1.00 0.00 PROT C ATOM 2387 HD1 ILE P 175 6.334 3.603 -6.253 1.00 0.00 PROT H ATOM 2388 HD2 ILE P 175 4.709 3.083 -5.676 1.00 0.00 PROT H ATOM 2389 HD3 ILE P 175 5.994 1.858 -5.988 1.00 0.00 PROT H ATOM 2390 C ILE P 175 1.911 0.809 -8.859 1.00 0.00 PROT C ATOM 2391 O ILE P 175 1.204 0.829 -7.857 1.00 0.00 PROT O ATOM 2392 N ALA P 176 1.808 -0.073 -9.813 1.00 0.00 PROT N ATOM 2393 HN ALA P 176 2.434 -0.010 -10.590 1.00 0.00 PROT H ATOM 2394 CA ALA P 176 0.839 -1.184 -9.868 1.00 0.00 PROT C ATOM 2395 HA ALA P 176 -0.079 -0.939 -9.346 1.00 0.00 PROT H ATOM 2396 CB ALA P 176 0.556 -1.429 -11.339 1.00 0.00 PROT C ATOM 2397 HB1 ALA P 176 0.082 -0.528 -11.782 1.00 0.00 PROT H ATOM 2398 HB2 ALA P 176 1.496 -1.631 -11.898 1.00 0.00 PROT H ATOM 2399 HB3 ALA P 176 -0.135 -2.287 -11.486 1.00 0.00 PROT H ATOM 2400 C ALA P 176 1.440 -2.409 -9.142 1.00 0.00 PROT C ATOM 2401 O ALA P 176 2.510 -2.942 -9.550 1.00 0.00 PROT O ATOM 2402 N VAL P 177 0.811 -2.820 -8.051 1.00 0.00 PROT N ATOM 2403 HN VAL P 177 -0.020 -2.396 -7.701 1.00 0.00 PROT H ATOM 2404 CA VAL P 177 1.292 -3.946 -7.259 1.00 0.00 PROT C ATOM 2405 HA VAL P 177 2.288 -4.162 -7.625 1.00 0.00 PROT H ATOM 2406 CB VAL P 177 1.292 -3.610 -5.749 1.00 0.00 PROT C ATOM 2407 HB VAL P 177 0.236 -3.398 -5.451 1.00 0.00 PROT H ATOM 2408 CG1 VAL P 177 1.817 -4.801 -4.965 1.00 0.00 PROT C ATOM 2409 HG11 VAL P 177 1.860 -4.560 -3.881 1.00 0.00 PROT H ATOM 2410 HG12 VAL P 177 1.162 -5.689 -5.081 1.00 0.00 PROT H ATOM 2411 HG13 VAL P 177 2.842 -5.069 -5.298 1.00 0.00 PROT H ATOM 2412 CG2 VAL P 177 2.056 -2.367 -5.396 1.00 0.00 PROT C ATOM 2413 HG21 VAL P 177 2.052 -2.202 -4.297 1.00 0.00 PROT H ATOM 2414 HG22 VAL P 177 3.112 -2.449 -5.734 1.00 0.00 PROT H ATOM 2415 HG23 VAL P 177 1.606 -1.470 -5.871 1.00 0.00 PROT H ATOM 2416 C VAL P 177 0.466 -5.218 -7.405 1.00 0.00 PROT C ATOM 2417 O VAL P 177 -0.739 -5.179 -7.130 1.00 0.00 PROT O ATOM 2418 N GLY P 178 1.134 -6.282 -7.753 1.00 0.00 PROT N ATOM 2419 HN GLY P 178 2.116 -6.222 -7.927 1.00 0.00 PROT H ATOM 2420 CA GLY P 178 0.534 -7.630 -7.919 1.00 0.00 PROT C ATOM 2421 HA1 GLY P 178 1.026 -8.170 -8.716 1.00 0.00 PROT H ATOM 2422 HA2 GLY P 178 -0.540 -7.564 -8.025 1.00 0.00 PROT H ATOM 2423 C GLY P 178 0.835 -8.350 -6.602 1.00 0.00 PROT C ATOM 2424 O GLY P 178 1.679 -7.948 -5.769 1.00 0.00 PROT O ATOM 2425 N ALA P 179 0.096 -9.428 -6.440 1.00 0.00 PROT N ATOM 2426 HN ALA P 179 -0.556 -9.704 -7.145 1.00 0.00 PROT H ATOM 2427 CA ALA P 179 0.151 -10.287 -5.272 1.00 0.00 PROT C ATOM 2428 HA ALA P 179 0.756 -9.796 -4.518 1.00 0.00 PROT H ATOM 2429 CB ALA P 179 -1.298 -10.390 -4.747 1.00 0.00 PROT C ATOM 2430 HB1 ALA P 179 -1.698 -9.372 -4.556 1.00 0.00 PROT H ATOM 2431 HB2 ALA P 179 -1.959 -10.882 -5.493 1.00 0.00 PROT H ATOM 2432 HB3 ALA P 179 -1.349 -10.963 -3.796 1.00 0.00 PROT H ATOM 2433 C ALA P 179 0.762 -11.662 -5.484 1.00 0.00 PROT C ATOM 2434 O ALA P 179 0.513 -12.390 -6.470 1.00 0.00 PROT O ATOM 2435 N VAL P 180 1.594 -12.026 -4.515 1.00 0.00 PROT N ATOM 2436 HN VAL P 180 1.833 -11.426 -3.756 1.00 0.00 PROT H ATOM 2437 CA VAL P 180 2.236 -13.339 -4.472 1.00 0.00 PROT C ATOM 2438 HA VAL P 180 1.849 -13.988 -5.248 1.00 0.00 PROT H ATOM 2439 CB VAL P 180 3.745 -13.393 -4.628 1.00 0.00 PROT C ATOM 2440 HB VAL P 180 4.016 -14.434 -4.933 1.00 0.00 PROT H ATOM 2441 CG1 VAL P 180 4.369 -12.473 -5.671 1.00 0.00 PROT C ATOM 2442 HG11 VAL P 180 5.476 -12.576 -5.663 1.00 0.00 PROT H ATOM 2443 HG12 VAL P 180 4.022 -12.720 -6.696 1.00 0.00 PROT H ATOM 2444 HG13 VAL P 180 4.121 -11.411 -5.457 1.00 0.00 PROT H ATOM 2445 CG2 VAL P 180 4.388 -13.194 -3.257 1.00 0.00 PROT C ATOM 2446 HG21 VAL P 180 5.496 -13.188 -3.340 1.00 0.00 PROT H ATOM 2447 HG22 VAL P 180 4.065 -12.228 -2.811 1.00 0.00 PROT H ATOM 2448 HG23 VAL P 180 4.108 -14.011 -2.560 1.00 0.00 PROT H ATOM 2449 C VAL P 180 1.762 -13.906 -3.113 1.00 0.00 PROT C ATOM 2450 O VAL P 180 0.978 -13.295 -2.353 1.00 0.00 PROT O ATOM 2451 N ASP P 181 2.249 -15.111 -2.873 1.00 0.00 PROT N ATOM 2452 HN ASP P 181 2.840 -15.644 -3.473 1.00 0.00 PROT H ATOM 2453 CA ASP P 181 1.929 -15.814 -1.599 1.00 0.00 PROT C ATOM 2454 HA ASP P 181 1.328 -15.167 -0.970 1.00 0.00 PROT H ATOM 2455 CB ASP P 181 1.055 -17.010 -1.803 1.00 0.00 PROT C ATOM 2456 HB1 ASP P 181 0.818 -17.461 -0.818 1.00 0.00 PROT H ATOM 2457 HB2 ASP P 181 0.104 -16.720 -2.292 1.00 0.00 PROT H ATOM 2458 CG ASP P 181 1.527 -18.194 -2.612 1.00 0.00 PROT C ATOM 2459 OD1 ASP P 181 2.721 -18.544 -2.723 1.00 0.00 PROT O ATOM 2460 OD2 ASP P 181 0.593 -18.831 -3.135 1.00 0.00 PROT O ATOM 2461 C ASP P 181 3.278 -16.001 -0.883 1.00 0.00 PROT C ATOM 2462 O ASP P 181 4.268 -15.327 -1.218 1.00 0.00 PROT O ATOM 2463 N SER P 182 3.247 -16.912 0.065 1.00 0.00 PROT N ATOM 2464 HN SER P 182 2.421 -17.429 0.290 1.00 0.00 PROT H ATOM 2465 CA SER P 182 4.417 -17.260 0.884 1.00 0.00 PROT C ATOM 2466 HA SER P 182 4.870 -16.309 1.131 1.00 0.00 PROT H ATOM 2467 CB SER P 182 3.970 -17.891 2.193 1.00 0.00 PROT C ATOM 2468 HB1 SER P 182 4.874 -18.064 2.820 1.00 0.00 PROT H ATOM 2469 HB2 SER P 182 3.310 -17.192 2.755 1.00 0.00 PROT H ATOM 2470 OG SER P 182 3.323 -19.128 2.041 1.00 0.00 PROT O ATOM 2471 HG1 SER P 182 3.285 -19.538 2.915 1.00 0.00 PROT H ATOM 2472 C SER P 182 5.469 -18.087 0.158 1.00 0.00 PROT C ATOM 2473 O SER P 182 6.687 -18.023 0.525 1.00 0.00 PROT O ATOM 2474 N ASN P 183 5.079 -18.816 -0.865 1.00 0.00 PROT N ATOM 2475 HN ASN P 183 4.139 -18.899 -1.195 1.00 0.00 PROT H ATOM 2476 CA ASN P 183 6.081 -19.611 -1.641 1.00 0.00 PROT C ATOM 2477 HA ASN P 183 6.977 -19.696 -1.035 1.00 0.00 PROT H ATOM 2478 CB ASN P 183 5.558 -21.001 -1.978 1.00 0.00 PROT C ATOM 2479 HB1 ASN P 183 5.169 -20.975 -3.020 1.00 0.00 PROT H ATOM 2480 HB2 ASN P 183 6.384 -21.741 -1.949 1.00 0.00 PROT H ATOM 2481 CG ASN P 183 4.434 -21.402 -1.048 1.00 0.00 PROT C ATOM 2482 OD1 ASN P 183 4.279 -22.569 -0.705 1.00 0.00 PROT O ATOM 2483 ND2 ASN P 183 3.626 -20.395 -0.677 1.00 0.00 PROT N ATOM 2484 HD21 ASN P 183 2.879 -20.613 -0.055 1.00 0.00 PROT H ATOM 2485 HD22 ASN P 183 3.803 -19.470 -0.998 1.00 0.00 PROT H ATOM 2486 C ASN P 183 6.437 -18.787 -2.884 1.00 0.00 PROT C ATOM 2487 O ASN P 183 6.842 -19.333 -3.929 1.00 0.00 PROT O ATOM 2488 N SER P 184 6.234 -17.491 -2.691 1.00 0.00 PROT N ATOM 2489 HN SER P 184 5.915 -17.147 -1.808 1.00 0.00 PROT H ATOM 2490 CA SER P 184 6.441 -16.453 -3.698 1.00 0.00 PROT C ATOM 2491 HA SER P 184 5.973 -15.570 -3.284 1.00 0.00 PROT H ATOM 2492 CB SER P 184 7.916 -16.107 -3.846 1.00 0.00 PROT C ATOM 2493 HB1 SER P 184 8.461 -17.033 -4.142 1.00 0.00 PROT H ATOM 2494 HB2 SER P 184 8.060 -15.367 -4.665 1.00 0.00 PROT H ATOM 2495 OG SER P 184 8.233 -15.664 -2.533 1.00 0.00 PROT O ATOM 2496 HG1 SER P 184 9.196 -15.633 -2.469 1.00 0.00 PROT H ATOM 2497 C SER P 184 5.761 -16.741 -5.043 1.00 0.00 PROT C ATOM 2498 O SER P 184 6.189 -16.241 -6.092 1.00 0.00 PROT O ATOM 2499 N ASN P 185 4.676 -17.500 -4.942 1.00 0.00 PROT N ATOM 2500 HN ASN P 185 4.314 -17.877 -4.091 1.00 0.00 PROT H ATOM 2501 CA ASN P 185 3.900 -17.850 -6.144 1.00 0.00 PROT C ATOM 2502 HA ASN P 185 4.582 -17.861 -6.988 1.00 0.00 PROT H ATOM 2503 CB ASN P 185 3.327 -19.244 -5.977 1.00 0.00 PROT C ATOM 2504 HB1 ASN P 185 2.638 -19.226 -5.104 1.00 0.00 PROT H ATOM 2505 HB2 ASN P 185 2.729 -19.524 -6.868 1.00 0.00 PROT H ATOM 2506 CG ASN P 185 4.411 -20.284 -5.711 1.00 0.00 PROT C ATOM 2507 OD1 ASN P 185 4.378 -20.975 -4.670 1.00 0.00 PROT O ATOM 2508 ND2 ASN P 185 5.387 -20.386 -6.605 1.00 0.00 PROT N ATOM 2509 HD21 ASN P 185 6.090 -21.072 -6.439 1.00 0.00 PROT H ATOM 2510 HD22 ASN P 185 5.381 -19.811 -7.417 1.00 0.00 PROT H ATOM 2511 C ASN P 185 2.901 -16.714 -6.370 1.00 0.00 PROT C ATOM 2512 O ASN P 185 2.365 -16.204 -5.351 1.00 0.00 PROT O ATOM 2513 N ARG P 186 2.714 -16.355 -7.637 1.00 0.00 PROT N ATOM 2514 HN ARG P 186 3.188 -16.796 -8.396 1.00 0.00 PROT H ATOM 2515 CA ARG P 186 1.789 -15.278 -7.979 1.00 0.00 PROT C ATOM 2516 HA ARG P 186 1.964 -14.449 -7.304 1.00 0.00 PROT H ATOM 2517 CB ARG P 186 1.898 -14.720 -9.401 1.00 0.00 PROT C ATOM 2518 HB1 ARG P 186 2.734 -13.981 -9.386 1.00 0.00 PROT H ATOM 2519 HB2 ARG P 186 2.217 -15.529 -10.095 1.00 0.00 PROT H ATOM 2520 CG ARG P 186 0.626 -14.018 -9.904 1.00 0.00 PROT C ATOM 2521 HG1 ARG P 186 -0.258 -14.524 -9.458 1.00 0.00 PROT H ATOM 2522 HG2 ARG P 186 0.606 -12.977 -9.507 1.00 0.00 PROT H ATOM 2523 CD ARG P 186 0.607 -13.984 -11.392 1.00 0.00 PROT C ATOM 2524 HD1 ARG P 186 1.183 -13.100 -11.750 1.00 0.00 PROT H ATOM 2525 HD2 ARG P 186 1.059 -14.905 -11.828 1.00 0.00 PROT H ATOM 2526 NE ARG P 186 -0.669 -13.906 -12.016 1.00 0.00 PROT N ATOM 2527 HE ARG P 186 -0.924 -12.969 -12.279 1.00 0.00 PROT H ATOM 2528 CZ ARG P 186 -1.600 -14.797 -12.329 1.00 0.00 PROT C ATOM 2529 NH1 ARG P 186 -1.476 -16.117 -12.134 1.00 0.00 PROT N ATOM 2530 HH11 ARG P 186 -2.196 -16.738 -12.411 1.00 0.00 PROT H ATOM 2531 HH12 ARG P 186 -0.577 -16.438 -11.828 1.00 0.00 PROT H ATOM 2532 NH2 ARG P 186 -2.749 -14.345 -12.863 1.00 0.00 PROT N ATOM 2533 HH21 ARG P 186 -3.497 -14.972 -13.027 1.00 0.00 PROT H ATOM 2534 HH22 ARG P 186 -2.880 -13.362 -12.879 1.00 0.00 PROT H ATOM 2535 C ARG P 186 0.342 -15.712 -7.770 1.00 0.00 PROT C ATOM 2536 O ARG P 186 -0.107 -16.703 -8.369 1.00 0.00 PROT O ATOM 2537 N ALA P 187 -0.320 -14.919 -6.927 1.00 0.00 PROT N ATOM 2538 HN ALA P 187 0.064 -14.123 -6.460 1.00 0.00 PROT H ATOM 2539 CA ALA P 187 -1.748 -15.207 -6.629 1.00 0.00 PROT C ATOM 2540 HA ALA P 187 -1.893 -16.185 -6.184 1.00 0.00 PROT H ATOM 2541 CB ALA P 187 -2.242 -14.266 -5.553 1.00 0.00 PROT C ATOM 2542 HB1 ALA P 187 -1.640 -14.406 -4.630 1.00 0.00 PROT H ATOM 2543 HB2 ALA P 187 -2.138 -13.206 -5.871 1.00 0.00 PROT H ATOM 2544 HB3 ALA P 187 -3.307 -14.457 -5.300 1.00 0.00 PROT H ATOM 2545 C ALA P 187 -2.479 -15.232 -7.977 1.00 0.00 PROT C ATOM 2546 O ALA P 187 -2.165 -14.570 -8.953 1.00 0.00 PROT O ATOM 2547 N SER P 188 -3.413 -16.132 -8.064 1.00 0.00 PROT N ATOM 2548 HN SER P 188 -3.494 -16.656 -7.216 1.00 0.00 PROT H ATOM 2549 CA SER P 188 -4.341 -16.532 -9.099 1.00 0.00 PROT C ATOM 2550 HA SER P 188 -3.692 -16.933 -9.866 1.00 0.00 PROT H ATOM 2551 CB SER P 188 -5.374 -17.494 -8.430 1.00 0.00 PROT C ATOM 2552 HB1 SER P 188 -5.280 -17.388 -7.325 1.00 0.00 PROT H ATOM 2553 HB2 SER P 188 -6.413 -17.196 -8.700 1.00 0.00 PROT H ATOM 2554 OG SER P 188 -5.014 -18.795 -8.857 1.00 0.00 PROT O ATOM 2555 HG1 SER P 188 -5.485 -19.420 -8.292 1.00 0.00 PROT H ATOM 2556 C SER P 188 -5.198 -15.446 -9.750 1.00 0.00 PROT C ATOM 2557 O SER P 188 -5.434 -15.352 -10.955 1.00 0.00 PROT O ATOM 2558 N PHE P 189 -5.672 -14.617 -8.845 1.00 0.00 PROT N ATOM 2559 HN PHE P 189 -5.427 -14.746 -7.885 1.00 0.00 PROT H ATOM 2560 CA PHE P 189 -6.549 -13.487 -9.095 1.00 0.00 PROT C ATOM 2561 HA PHE P 189 -7.115 -13.758 -9.978 1.00 0.00 PROT H ATOM 2562 CB PHE P 189 -7.330 -13.331 -7.803 1.00 0.00 PROT C ATOM 2563 HB1 PHE P 189 -8.041 -12.482 -7.908 1.00 0.00 PROT H ATOM 2564 HB2 PHE P 189 -7.934 -14.239 -7.588 1.00 0.00 PROT H ATOM 2565 CG PHE P 189 -6.534 -13.013 -6.579 1.00 0.00 PROT C ATOM 2566 CD1 PHE P 189 -5.928 -11.756 -6.449 1.00 0.00 PROT C ATOM 2567 HD1 PHE P 189 -6.036 -11.026 -7.239 1.00 0.00 PROT H ATOM 2568 CE1 PHE P 189 -5.185 -11.438 -5.320 1.00 0.00 PROT C ATOM 2569 HE1 PHE P 189 -4.713 -10.469 -5.239 1.00 0.00 PROT H ATOM 2570 CZ PHE P 189 -5.054 -12.361 -4.293 1.00 0.00 PROT C ATOM 2571 HZ PHE P 189 -4.506 -12.102 -3.398 1.00 0.00 PROT H ATOM 2572 CD2 PHE P 189 -6.378 -13.962 -5.566 1.00 0.00 PROT C ATOM 2573 HD2 PHE P 189 -6.802 -14.950 -5.681 1.00 0.00 PROT H ATOM 2574 CE2 PHE P 189 -5.649 -13.643 -4.414 1.00 0.00 PROT C ATOM 2575 HE2 PHE P 189 -5.542 -14.374 -3.625 1.00 0.00 PROT H ATOM 2576 C PHE P 189 -5.807 -12.198 -9.418 1.00 0.00 PROT C ATOM 2577 O PHE P 189 -6.428 -11.198 -9.815 1.00 0.00 PROT O ATOM 2578 N SER P 190 -4.499 -12.226 -9.184 1.00 0.00 PROT N ATOM 2579 HN SER P 190 -3.997 -13.017 -8.835 1.00 0.00 PROT H ATOM 2580 CA SER P 190 -3.666 -11.049 -9.432 1.00 0.00 PROT C ATOM 2581 HA SER P 190 -4.130 -10.220 -8.914 1.00 0.00 PROT H ATOM 2582 CB SER P 190 -2.226 -11.335 -9.013 1.00 0.00 PROT C ATOM 2583 HB1 SER P 190 -1.596 -10.471 -9.327 1.00 0.00 PROT H ATOM 2584 HB2 SER P 190 -2.152 -11.408 -7.904 1.00 0.00 PROT H ATOM 2585 OG SER P 190 -2.057 -12.528 -9.791 1.00 0.00 PROT O ATOM 2586 HG1 SER P 190 -1.111 -12.722 -9.812 1.00 0.00 PROT H ATOM 2587 C SER P 190 -3.689 -10.723 -10.926 1.00 0.00 PROT C ATOM 2588 O SER P 190 -3.548 -11.559 -11.831 1.00 0.00 PROT O ATOM 2589 N SER P 191 -3.778 -9.439 -11.119 1.00 0.00 PROT N ATOM 2590 HN SER P 191 -3.796 -8.801 -10.349 1.00 0.00 PROT H ATOM 2591 CA SER P 191 -3.858 -8.804 -12.416 1.00 0.00 PROT C ATOM 2592 HA SER P 191 -4.548 -9.421 -12.977 1.00 0.00 PROT H ATOM 2593 CB SER P 191 -4.406 -7.399 -12.122 1.00 0.00 PROT C ATOM 2594 HB1 SER P 191 -4.233 -7.178 -11.044 1.00 0.00 PROT H ATOM 2595 HB2 SER P 191 -3.846 -6.634 -12.707 1.00 0.00 PROT H ATOM 2596 OG SER P 191 -5.770 -7.258 -12.359 1.00 0.00 PROT O ATOM 2597 HG1 SER P 191 -6.047 -6.433 -11.940 1.00 0.00 PROT H ATOM 2598 C SER P 191 -2.565 -8.772 -13.180 1.00 0.00 PROT C ATOM 2599 O SER P 191 -1.488 -8.410 -12.665 1.00 0.00 PROT O ATOM 2600 N VAL P 192 -2.673 -9.084 -14.456 1.00 0.00 PROT N ATOM 2601 HN VAL P 192 -3.561 -9.365 -14.811 1.00 0.00 PROT H ATOM 2602 CA VAL P 192 -1.604 -9.066 -15.451 1.00 0.00 PROT C ATOM 2603 HA VAL P 192 -0.670 -8.859 -14.943 1.00 0.00 PROT H ATOM 2604 CB VAL P 192 -1.588 -10.406 -16.201 1.00 0.00 PROT C ATOM 2605 HB VAL P 192 -0.618 -10.473 -16.752 1.00 0.00 PROT H ATOM 2606 CG1 VAL P 192 -1.684 -11.645 -15.318 1.00 0.00 PROT C ATOM 2607 HG11 VAL P 192 -1.705 -12.564 -15.943 1.00 0.00 PROT H ATOM 2608 HG12 VAL P 192 -0.814 -11.730 -14.635 1.00 0.00 PROT H ATOM 2609 HG13 VAL P 192 -2.613 -11.623 -14.710 1.00 0.00 PROT H ATOM 2610 CG2 VAL P 192 -2.685 -10.341 -17.263 1.00 0.00 PROT C ATOM 2611 HG21 VAL P 192 -2.752 -11.301 -17.818 1.00 0.00 PROT H ATOM 2612 HG22 VAL P 192 -3.672 -10.139 -16.793 1.00 0.00 PROT H ATOM 2613 HG23 VAL P 192 -2.481 -9.540 -18.003 1.00 0.00 PROT H ATOM 2614 C VAL P 192 -1.856 -7.909 -16.448 1.00 0.00 PROT C ATOM 2615 O VAL P 192 -2.959 -7.501 -16.840 1.00 0.00 PROT O ATOM 2616 N GLY P 193 -0.756 -7.373 -16.926 1.00 0.00 PROT N ATOM 2617 HN GLY P 193 0.106 -7.746 -16.584 1.00 0.00 PROT H ATOM 2618 CA GLY P 193 -0.636 -6.309 -17.887 1.00 0.00 PROT C ATOM 2619 HA1 GLY P 193 -1.243 -5.476 -17.561 1.00 0.00 PROT H ATOM 2620 HA2 GLY P 193 -0.892 -6.688 -18.867 1.00 0.00 PROT H ATOM 2621 C GLY P 193 0.816 -5.848 -17.926 1.00 0.00 PROT C ATOM 2622 O GLY P 193 1.711 -6.173 -17.130 1.00 0.00 PROT O ATOM 2623 N ALA P 194 1.016 -5.036 -18.944 1.00 0.00 PROT N ATOM 2624 HN ALA P 194 0.284 -4.811 -19.586 1.00 0.00 PROT H ATOM 2625 CA ALA P 194 2.304 -4.406 -19.216 1.00 0.00 PROT C ATOM 2626 HA ALA P 194 3.098 -5.143 -19.239 1.00 0.00 PROT H ATOM 2627 CB ALA P 194 2.065 -3.662 -20.543 1.00 0.00 PROT C ATOM 2628 HB1 ALA P 194 1.855 -4.397 -21.350 1.00 0.00 PROT H ATOM 2629 HB2 ALA P 194 1.191 -2.979 -20.466 1.00 0.00 PROT H ATOM 2630 HB3 ALA P 194 2.954 -3.066 -20.844 1.00 0.00 PROT H ATOM 2631 C ALA P 194 2.661 -3.424 -18.107 1.00 0.00 PROT C ATOM 2632 O ALA P 194 3.858 -3.111 -17.928 1.00 0.00 PROT O ATOM 2633 N GLU P 195 1.611 -2.903 -17.449 1.00 0.00 PROT N ATOM 2634 HN GLU P 195 0.647 -3.125 -17.567 1.00 0.00 PROT H ATOM 2635 CA GLU P 195 1.867 -1.884 -16.427 1.00 0.00 PROT C ATOM 2636 HA GLU P 195 2.679 -1.278 -16.810 1.00 0.00 PROT H ATOM 2637 CB GLU P 195 0.656 -0.973 -16.134 1.00 0.00 PROT C ATOM 2638 HB1 GLU P 195 -0.270 -1.586 -16.225 1.00 0.00 PROT H ATOM 2639 HB2 GLU P 195 0.691 -0.628 -15.076 1.00 0.00 PROT H ATOM 2640 CG GLU P 195 0.477 0.259 -17.032 1.00 0.00 PROT C ATOM 2641 HG1 GLU P 195 -0.313 0.909 -16.614 1.00 0.00 PROT H ATOM 2642 HG2 GLU P 195 1.420 0.835 -17.108 1.00 0.00 PROT H ATOM 2643 CD GLU P 195 0.019 -0.148 -18.411 1.00 0.00 PROT C ATOM 2644 OE1 GLU P 195 -0.501 -1.221 -18.704 1.00 0.00 PROT O ATOM 2645 OE2 GLU P 195 0.292 0.841 -19.234 1.00 0.00 PROT O ATOM 2646 C GLU P 195 2.295 -2.402 -15.060 1.00 0.00 PROT C ATOM 2647 O GLU P 195 2.738 -1.586 -14.237 1.00 0.00 PROT O ATOM 2648 N LEU P 196 2.107 -3.692 -14.856 1.00 0.00 PROT N ATOM 2649 HN LEU P 196 1.745 -4.356 -15.507 1.00 0.00 PROT H ATOM 2650 CA LEU P 196 2.456 -4.263 -13.535 1.00 0.00 PROT C ATOM 2651 HA LEU P 196 1.797 -3.846 -12.784 1.00 0.00 PROT H ATOM 2652 CB LEU P 196 2.174 -5.730 -13.651 1.00 0.00 PROT C ATOM 2653 HB1 LEU P 196 1.185 -5.836 -14.153 1.00 0.00 PROT H ATOM 2654 HB2 LEU P 196 2.919 -6.188 -14.339 1.00 0.00 PROT H ATOM 2655 CG LEU P 196 2.093 -6.654 -12.459 1.00 0.00 PROT C ATOM 2656 HG LEU P 196 3.139 -6.911 -12.165 1.00 0.00 PROT H ATOM 2657 CD1 LEU P 196 1.454 -5.899 -11.343 1.00 0.00 PROT C ATOM 2658 HD11 LEU P 196 1.327 -6.552 -10.453 1.00 0.00 PROT H ATOM 2659 HD12 LEU P 196 2.080 -5.029 -11.051 1.00 0.00 PROT H ATOM 2660 HD13 LEU P 196 0.452 -5.525 -11.645 1.00 0.00 PROT H ATOM 2661 CD2 LEU P 196 1.367 -7.942 -12.778 1.00 0.00 PROT C ATOM 2662 HD21 LEU P 196 1.343 -8.603 -11.885 1.00 0.00 PROT H ATOM 2663 HD22 LEU P 196 0.319 -7.756 -13.087 1.00 0.00 PROT H ATOM 2664 HD23 LEU P 196 1.882 -8.486 -13.599 1.00 0.00 PROT H ATOM 2665 C LEU P 196 3.875 -3.772 -13.230 1.00 0.00 PROT C ATOM 2666 O LEU P 196 4.723 -3.825 -14.123 1.00 0.00 PROT O ATOM 2667 N GLU P 197 4.112 -3.291 -12.015 1.00 0.00 PROT N ATOM 2668 HN GLU P 197 3.399 -3.234 -11.322 1.00 0.00 PROT H ATOM 2669 CA GLU P 197 5.397 -2.809 -11.574 1.00 0.00 PROT C ATOM 2670 HA GLU P 197 6.000 -2.609 -12.451 1.00 0.00 PROT H ATOM 2671 CB GLU P 197 5.310 -1.533 -10.730 1.00 0.00 PROT C ATOM 2672 HB1 GLU P 197 4.240 -1.359 -10.473 1.00 0.00 PROT H ATOM 2673 HB2 GLU P 197 5.836 -1.685 -9.761 1.00 0.00 PROT H ATOM 2674 CG GLU P 197 5.861 -0.265 -11.419 1.00 0.00 PROT C ATOM 2675 HG1 GLU P 197 6.055 -0.480 -12.486 1.00 0.00 PROT H ATOM 2676 HG2 GLU P 197 5.141 0.574 -11.341 1.00 0.00 PROT H ATOM 2677 CD GLU P 197 7.178 0.108 -10.784 1.00 0.00 PROT C ATOM 2678 OE1 GLU P 197 7.470 1.224 -10.394 1.00 0.00 PROT O ATOM 2679 OE2 GLU P 197 7.900 -1.010 -10.670 1.00 0.00 PROT O ATOM 2680 C GLU P 197 6.133 -3.861 -10.749 1.00 0.00 PROT C ATOM 2681 O GLU P 197 7.300 -4.224 -11.048 1.00 0.00 PROT O ATOM 2682 N VAL P 198 5.441 -4.329 -9.707 1.00 0.00 PROT N ATOM 2683 HN VAL P 198 4.509 -4.076 -9.462 1.00 0.00 PROT H ATOM 2684 CA VAL P 198 6.064 -5.313 -8.802 1.00 0.00 PROT C ATOM 2685 HA VAL P 198 6.624 -6.008 -9.415 1.00 0.00 PROT H ATOM 2686 CB VAL P 198 7.115 -4.663 -7.880 1.00 0.00 PROT C ATOM 2687 HB VAL P 198 7.768 -5.479 -7.485 1.00 0.00 PROT H ATOM 2688 CG1 VAL P 198 8.050 -3.638 -8.530 1.00 0.00 PROT C ATOM 2689 HG11 VAL P 198 8.737 -3.207 -7.770 1.00 0.00 PROT H ATOM 2690 HG12 VAL P 198 8.678 -4.099 -9.320 1.00 0.00 PROT H ATOM 2691 HG13 VAL P 198 7.468 -2.805 -8.979 1.00 0.00 PROT H ATOM 2692 CG2 VAL P 198 6.461 -4.030 -6.661 1.00 0.00 PROT C ATOM 2693 HG21 VAL P 198 7.220 -3.530 -6.023 1.00 0.00 PROT H ATOM 2694 HG22 VAL P 198 5.710 -3.271 -6.971 1.00 0.00 PROT H ATOM 2695 HG23 VAL P 198 5.950 -4.793 -6.038 1.00 0.00 PROT H ATOM 2696 C VAL P 198 5.008 -6.115 -8.051 1.00 0.00 PROT C ATOM 2697 O VAL P 198 3.790 -5.899 -8.189 1.00 0.00 PROT O ATOM 2698 N MET P 199 5.522 -7.077 -7.305 1.00 0.00 PROT N ATOM 2699 HN MET P 199 6.503 -7.245 -7.228 1.00 0.00 PROT H ATOM 2700 CA MET P 199 4.684 -7.995 -6.514 1.00 0.00 PROT C ATOM 2701 HA MET P 199 3.648 -7.755 -6.719 1.00 0.00 PROT H ATOM 2702 CB MET P 199 4.949 -9.487 -6.777 1.00 0.00 PROT C ATOM 2703 HB1 MET P 199 5.974 -9.706 -6.397 1.00 0.00 PROT H ATOM 2704 HB2 MET P 199 4.252 -10.100 -6.163 1.00 0.00 PROT H ATOM 2705 CG MET P 199 4.883 -9.936 -8.216 1.00 0.00 PROT C ATOM 2706 HG1 MET P 199 5.497 -9.269 -8.857 1.00 0.00 PROT H ATOM 2707 HG2 MET P 199 5.297 -10.964 -8.306 1.00 0.00 PROT H ATOM 2708 SD MET P 199 3.164 -9.906 -8.803 1.00 0.00 PROT S ATOM 2709 CE MET P 199 3.286 -8.379 -9.780 1.00 0.00 PROT C ATOM 2710 HE1 MET P 199 2.311 -8.132 -10.253 1.00 0.00 PROT H ATOM 2711 HE2 MET P 199 3.583 -7.519 -9.141 1.00 0.00 PROT H ATOM 2712 HE3 MET P 199 4.041 -8.481 -10.589 1.00 0.00 PROT H ATOM 2713 C MET P 199 4.926 -7.761 -5.019 1.00 0.00 PROT C ATOM 2714 O MET P 199 5.979 -7.238 -4.597 1.00 0.00 PROT O ATOM 2715 N ALA P 200 3.927 -8.191 -4.285 1.00 0.00 PROT N ATOM 2716 HN ALA P 200 3.124 -8.573 -4.741 1.00 0.00 PROT H ATOM 2717 CA ALA P 200 3.867 -8.167 -2.811 1.00 0.00 PROT C ATOM 2718 HA ALA P 200 4.822 -8.404 -2.357 1.00 0.00 PROT H ATOM 2719 CB ALA P 200 3.343 -6.845 -2.287 1.00 0.00 PROT C ATOM 2720 HB1 ALA P 200 4.054 -6.033 -2.547 1.00 0.00 PROT H ATOM 2721 HB2 ALA P 200 2.359 -6.597 -2.742 1.00 0.00 PROT H ATOM 2722 HB3 ALA P 200 3.228 -6.859 -1.182 1.00 0.00 PROT H ATOM 2723 C ALA P 200 2.890 -9.273 -2.370 1.00 0.00 PROT C ATOM 2724 O ALA P 200 2.075 -9.763 -3.140 1.00 0.00 PROT O ATOM 2725 N PRO P 201 2.975 -9.628 -1.119 1.00 0.00 PROT N ATOM 2726 CD PRO P 201 3.961 -9.046 -0.106 1.00 0.00 PROT C ATOM 2727 HD1 PRO P 201 4.107 -9.299 -1.181 1.00 0.00 PROT H ATOM 2728 HD2 PRO P 201 4.653 -8.228 0.200 1.00 0.00 PROT H ATOM 2729 CA PRO P 201 2.104 -10.617 -0.470 1.00 0.00 PROT C ATOM 2730 HA PRO P 201 2.118 -11.573 -0.979 1.00 0.00 PROT H ATOM 2731 CB PRO P 201 2.765 -10.825 0.884 1.00 0.00 PROT C ATOM 2732 HB1 PRO P 201 3.569 -11.588 0.782 1.00 0.00 PROT H ATOM 2733 HB2 PRO P 201 2.050 -11.157 1.664 1.00 0.00 PROT H ATOM 2734 CG PRO P 201 4.200 -10.285 0.761 1.00 0.00 PROT C ATOM 2735 HG1 PRO P 201 4.894 -10.729 1.501 1.00 0.00 PROT H ATOM 2736 HG2 PRO P 201 5.124 -10.399 0.397 1.00 0.00 PROT H ATOM 2737 C PRO P 201 0.676 -10.070 -0.472 1.00 0.00 PROT C ATOM 2738 O PRO P 201 0.356 -8.939 -0.037 1.00 0.00 PROT O ATOM 2739 N GLY P 202 -0.245 -10.881 -0.987 1.00 0.00 PROT N ATOM 2740 HN GLY P 202 0.028 -11.783 -1.319 1.00 0.00 PROT H ATOM 2741 CA GLY P 202 -1.662 -10.564 -1.116 1.00 0.00 PROT C ATOM 2742 HA1 GLY P 202 -1.808 -10.268 -2.146 1.00 0.00 PROT H ATOM 2743 HA2 GLY P 202 -1.864 -9.782 -0.396 1.00 0.00 PROT H ATOM 2744 C GLY P 202 -2.608 -11.735 -0.820 1.00 0.00 PROT C ATOM 2745 O GLY P 202 -3.843 -11.547 -0.797 1.00 0.00 PROT O ATOM 2746 N ALA P 203 -2.016 -12.894 -0.634 1.00 0.00 PROT N ATOM 2747 HN ALA P 203 -1.024 -13.005 -0.694 1.00 0.00 PROT H ATOM 2748 CA ALA P 203 -2.760 -14.100 -0.327 1.00 0.00 PROT C ATOM 2749 HA ALA P 203 -3.827 -13.976 -0.470 1.00 0.00 PROT H ATOM 2750 CB ALA P 203 -2.450 -15.333 -1.150 1.00 0.00 PROT C ATOM 2751 HB1 ALA P 203 -2.651 -15.125 -2.223 1.00 0.00 PROT H ATOM 2752 HB2 ALA P 203 -1.380 -15.620 -1.052 1.00 0.00 PROT H ATOM 2753 HB3 ALA P 203 -3.078 -16.198 -0.844 1.00 0.00 PROT H ATOM 2754 C ALA P 203 -2.554 -14.387 1.168 1.00 0.00 PROT C ATOM 2755 O ALA P 203 -1.471 -14.281 1.769 1.00 0.00 PROT O ATOM 2756 N GLY P 204 -3.694 -14.779 1.681 1.00 0.00 PROT N ATOM 2757 HN GLY P 204 -4.509 -14.835 1.106 1.00 0.00 PROT H ATOM 2758 CA GLY P 204 -3.881 -15.158 3.086 1.00 0.00 PROT C ATOM 2759 HA1 GLY P 204 -3.526 -16.169 3.235 1.00 0.00 PROT H ATOM 2760 HA2 GLY P 204 -4.914 -15.004 3.369 1.00 0.00 PROT H ATOM 2761 C GLY P 204 -3.013 -14.220 3.935 1.00 0.00 PROT C ATOM 2762 O GLY P 204 -2.004 -14.671 4.452 1.00 0.00 PROT O ATOM 2763 N VAL P 205 -3.466 -12.976 3.957 1.00 0.00 PROT N ATOM 2764 HN VAL P 205 -4.277 -12.682 3.458 1.00 0.00 PROT H ATOM 2765 CA VAL P 205 -2.806 -11.911 4.726 1.00 0.00 PROT C ATOM 2766 HA VAL P 205 -1.943 -12.297 5.254 1.00 0.00 PROT H ATOM 2767 CB VAL P 205 -2.139 -10.726 4.023 1.00 0.00 PROT C ATOM 2768 HB VAL P 205 -1.050 -10.958 3.930 1.00 0.00 PROT H ATOM 2769 CG1 VAL P 205 -2.631 -10.405 2.613 1.00 0.00 PROT C ATOM 2770 HG11 VAL P 205 -2.108 -9.508 2.217 1.00 0.00 PROT H ATOM 2771 HG12 VAL P 205 -2.433 -11.240 1.910 1.00 0.00 PROT H ATOM 2772 HG13 VAL P 205 -3.722 -10.193 2.616 1.00 0.00 PROT H ATOM 2773 CG2 VAL P 205 -2.198 -9.439 4.824 1.00 0.00 PROT C ATOM 2774 HG21 VAL P 205 -1.738 -8.602 4.257 1.00 0.00 PROT H ATOM 2775 HG22 VAL P 205 -3.252 -9.169 5.052 1.00 0.00 PROT H ATOM 2776 HG23 VAL P 205 -1.648 -9.537 5.783 1.00 0.00 PROT H ATOM 2777 C VAL P 205 -3.864 -11.523 5.786 1.00 0.00 PROT C ATOM 2778 O VAL P 205 -5.011 -11.109 5.583 1.00 0.00 PROT O ATOM 2779 N TYR P 206 -3.350 -11.779 6.962 1.00 0.00 PROT N ATOM 2780 HN TYR P 206 -2.438 -12.181 6.906 1.00 0.00 PROT H ATOM 2781 CA TYR P 206 -3.836 -11.596 8.290 1.00 0.00 PROT C ATOM 2782 HA TYR P 206 -4.919 -11.572 8.265 1.00 0.00 PROT H ATOM 2783 CB TYR P 206 -3.234 -12.639 9.231 1.00 0.00 PROT C ATOM 2784 HB1 TYR P 206 -3.375 -13.651 8.792 1.00 0.00 PROT H ATOM 2785 HB2 TYR P 206 -2.140 -12.480 9.345 1.00 0.00 PROT H ATOM 2786 CG TYR P 206 -3.759 -12.799 10.630 1.00 0.00 PROT C ATOM 2787 CD1 TYR P 206 -3.046 -12.358 11.750 1.00 0.00 PROT C ATOM 2788 HD1 TYR P 206 -2.083 -11.882 11.621 1.00 0.00 PROT H ATOM 2789 CE1 TYR P 206 -3.529 -12.531 13.057 1.00 0.00 PROT C ATOM 2790 HE1 TYR P 206 -2.973 -12.154 13.903 1.00 0.00 PROT H ATOM 2791 CZ TYR P 206 -4.718 -13.193 13.266 1.00 0.00 PROT C ATOM 2792 OH TYR P 206 -5.251 -13.408 14.508 1.00 0.00 PROT O ATOM 2793 HH TYR P 206 -6.108 -13.821 14.386 1.00 0.00 PROT H ATOM 2794 CD2 TYR P 206 -4.981 -13.442 10.880 1.00 0.00 PROT C ATOM 2795 HD2 TYR P 206 -5.567 -13.827 10.057 1.00 0.00 PROT H ATOM 2796 CE2 TYR P 206 -5.442 -13.644 12.166 1.00 0.00 PROT C ATOM 2797 HE2 TYR P 206 -6.367 -14.178 12.326 1.00 0.00 PROT H ATOM 2798 C TYR P 206 -3.364 -10.206 8.725 1.00 0.00 PROT C ATOM 2799 O TYR P 206 -2.162 -9.838 8.635 1.00 0.00 PROT O ATOM 2800 N SER P 207 -4.360 -9.484 9.200 1.00 0.00 PROT N ATOM 2801 HN SER P 207 -5.309 -9.794 9.261 1.00 0.00 PROT H ATOM 2802 CA SER P 207 -4.139 -8.114 9.695 1.00 0.00 PROT C ATOM 2803 HA SER P 207 -3.273 -8.122 10.343 1.00 0.00 PROT H ATOM 2804 CB SER P 207 -4.015 -7.140 8.541 1.00 0.00 PROT C ATOM 2805 HB1 SER P 207 -3.383 -7.613 7.755 1.00 0.00 PROT H ATOM 2806 HB2 SER P 207 -5.013 -6.948 8.087 1.00 0.00 PROT H ATOM 2807 OG SER P 207 -3.413 -5.926 8.891 1.00 0.00 PROT O ATOM 2808 HG1 SER P 207 -3.179 -5.478 8.068 1.00 0.00 PROT H ATOM 2809 C SER P 207 -5.356 -7.778 10.565 1.00 0.00 PROT C ATOM 2810 O SER P 207 -6.308 -8.563 10.755 1.00 0.00 PROT O ATOM 2811 N THR P 208 -5.270 -6.557 11.036 1.00 0.00 PROT N ATOM 2812 HN THR P 208 -4.479 -5.974 10.854 1.00 0.00 PROT H ATOM 2813 CA THR P 208 -6.297 -5.932 11.858 1.00 0.00 PROT C ATOM 2814 HA THR P 208 -6.461 -6.581 12.708 1.00 0.00 PROT H ATOM 2815 CB THR P 208 -5.763 -4.519 12.164 1.00 0.00 PROT C ATOM 2816 HB THR P 208 -6.443 -4.092 12.942 1.00 0.00 PROT H ATOM 2817 OG1 THR P 208 -5.926 -3.833 10.922 1.00 0.00 PROT O ATOM 2818 HG1 THR P 208 -5.589 -2.943 11.074 1.00 0.00 PROT H ATOM 2819 CG2 THR P 208 -4.322 -4.539 12.583 1.00 0.00 PROT C ATOM 2820 HG21 THR P 208 -3.991 -3.530 12.907 1.00 0.00 PROT H ATOM 2821 HG22 THR P 208 -4.176 -5.236 13.435 1.00 0.00 PROT H ATOM 2822 HG23 THR P 208 -3.667 -4.869 11.748 1.00 0.00 PROT H ATOM 2823 C THR P 208 -7.603 -5.913 11.068 1.00 0.00 PROT C ATOM 2824 O THR P 208 -7.673 -5.554 9.912 1.00 0.00 PROT O ATOM 2825 N TYR P 209 -8.652 -6.323 11.710 1.00 0.00 PROT N ATOM 2826 HN TYR P 209 -8.454 -6.652 12.632 1.00 0.00 PROT H ATOM 2827 CA TYR P 209 -10.036 -6.389 11.339 1.00 0.00 PROT C ATOM 2828 HA TYR P 209 -10.173 -5.811 10.433 1.00 0.00 PROT H ATOM 2829 CB TYR P 209 -10.692 -7.744 11.044 1.00 0.00 PROT C ATOM 2830 HB1 TYR P 209 -9.898 -8.501 10.860 1.00 0.00 PROT H ATOM 2831 HB2 TYR P 209 -11.283 -8.093 11.918 1.00 0.00 PROT H ATOM 2832 CG TYR P 209 -11.569 -7.667 9.795 1.00 0.00 PROT C ATOM 2833 CD1 TYR P 209 -11.012 -7.306 8.547 1.00 0.00 PROT C ATOM 2834 HD1 TYR P 209 -9.966 -7.038 8.482 1.00 0.00 PROT H ATOM 2835 CE1 TYR P 209 -11.733 -7.248 7.368 1.00 0.00 PROT C ATOM 2836 HE1 TYR P 209 -11.246 -6.992 6.438 1.00 0.00 PROT H ATOM 2837 CZ TYR P 209 -13.092 -7.527 7.464 1.00 0.00 PROT C ATOM 2838 OH TYR P 209 -13.942 -7.454 6.382 1.00 0.00 PROT O ATOM 2839 HH TYR P 209 -14.805 -7.756 6.673 1.00 0.00 PROT H ATOM 2840 CD2 TYR P 209 -12.909 -7.944 9.827 1.00 0.00 PROT C ATOM 2841 HD2 TYR P 209 -13.390 -8.180 10.766 1.00 0.00 PROT H ATOM 2842 CE2 TYR P 209 -13.678 -7.878 8.672 1.00 0.00 PROT C ATOM 2843 HE2 TYR P 209 -14.738 -8.080 8.721 1.00 0.00 PROT H ATOM 2844 C TYR P 209 -10.844 -5.681 12.460 1.00 0.00 PROT C ATOM 2845 O TYR P 209 -10.692 -5.893 13.674 1.00 0.00 PROT O ATOM 2846 N PRO P 210 -11.714 -4.835 11.951 1.00 0.00 PROT N ATOM 2847 CD PRO P 210 -11.928 -4.540 10.472 1.00 0.00 PROT C ATOM 2848 HD1 PRO P 210 -11.426 -3.775 9.837 1.00 0.00 PROT H ATOM 2849 HD2 PRO P 210 -11.682 -5.566 10.115 1.00 0.00 PROT H ATOM 2850 CA PRO P 210 -12.650 -4.034 12.710 1.00 0.00 PROT C ATOM 2851 HA PRO P 210 -12.122 -3.190 13.139 1.00 0.00 PROT H ATOM 2852 CB PRO P 210 -13.630 -3.455 11.676 1.00 0.00 PROT C ATOM 2853 HB1 PRO P 210 -13.195 -2.525 11.245 1.00 0.00 PROT H ATOM 2854 HB2 PRO P 210 -14.623 -3.221 12.111 1.00 0.00 PROT H ATOM 2855 CG PRO P 210 -13.445 -4.327 10.449 1.00 0.00 PROT C ATOM 2856 HG1 PRO P 210 -13.751 -3.823 9.511 1.00 0.00 PROT H ATOM 2857 HG2 PRO P 210 -14.032 -5.266 10.574 1.00 0.00 PROT H ATOM 2858 C PRO P 210 -13.377 -4.787 13.823 1.00 0.00 PROT C ATOM 2859 O PRO P 210 -14.042 -5.836 13.808 1.00 0.00 PROT O ATOM 2860 N THR P 211 -13.189 -4.120 14.922 1.00 0.00 PROT N ATOM 2861 HN THR P 211 -12.603 -3.326 14.760 1.00 0.00 PROT H ATOM 2862 CA THR P 211 -13.624 -4.265 16.284 1.00 0.00 PROT C ATOM 2863 HA THR P 211 -13.563 -3.266 16.695 1.00 0.00 PROT H ATOM 2864 CB THR P 211 -15.129 -4.486 16.451 1.00 0.00 PROT C ATOM 2865 HB THR P 211 -15.316 -5.556 16.189 1.00 0.00 PROT H ATOM 2866 OG1 THR P 211 -15.642 -3.597 15.444 1.00 0.00 PROT O ATOM 2867 HG1 THR P 211 -16.601 -3.674 15.498 1.00 0.00 PROT H ATOM 2868 CG2 THR P 211 -15.529 -4.002 17.821 1.00 0.00 PROT C ATOM 2869 HG21 THR P 211 -16.592 -4.246 18.032 1.00 0.00 PROT H ATOM 2870 HG22 THR P 211 -14.906 -4.489 18.601 1.00 0.00 PROT H ATOM 2871 HG23 THR P 211 -15.401 -2.902 17.910 1.00 0.00 PROT H ATOM 2872 C THR P 211 -12.730 -5.136 17.136 1.00 0.00 PROT C ATOM 2873 O THR P 211 -13.138 -6.105 17.768 1.00 0.00 PROT O ATOM 2874 N ASN P 212 -11.521 -4.615 17.152 1.00 0.00 PROT N ATOM 2875 HN ASN P 212 -11.315 -3.779 16.645 1.00 0.00 PROT H ATOM 2876 CA ASN P 212 -10.381 -5.178 17.885 1.00 0.00 PROT C ATOM 2877 HA ASN P 212 -9.485 -4.823 17.387 1.00 0.00 PROT H ATOM 2878 CB ASN P 212 -10.309 -4.555 19.261 1.00 0.00 PROT C ATOM 2879 HB1 ASN P 212 -10.508 -5.355 20.008 1.00 0.00 PROT H ATOM 2880 HB2 ASN P 212 -9.289 -4.165 19.455 1.00 0.00 PROT H ATOM 2881 CG ASN P 212 -11.296 -3.445 19.568 1.00 0.00 PROT C ATOM 2882 OD1 ASN P 212 -11.596 -2.457 18.896 1.00 0.00 PROT O ATOM 2883 ND2 ASN P 212 -11.873 -3.612 20.773 1.00 0.00 PROT N ATOM 2884 HD21 ASN P 212 -12.546 -2.934 21.056 1.00 0.00 PROT H ATOM 2885 HD22 ASN P 212 -11.644 -4.404 21.330 1.00 0.00 PROT H ATOM 2886 C ASN P 212 -10.405 -6.703 17.765 1.00 0.00 PROT C ATOM 2887 O ASN P 212 -10.768 -7.549 18.588 1.00 0.00 PROT O ATOM 2888 N THR P 213 -9.969 -7.085 16.580 1.00 0.00 PROT N ATOM 2889 HN THR P 213 -9.709 -6.399 15.901 1.00 0.00 PROT H ATOM 2890 CA THR P 213 -9.816 -8.465 16.128 1.00 0.00 PROT C ATOM 2891 HA THR P 213 -9.255 -8.999 16.883 1.00 0.00 PROT H ATOM 2892 CB THR P 213 -11.135 -9.212 16.082 1.00 0.00 PROT C ATOM 2893 HB THR P 213 -11.820 -8.676 16.784 1.00 0.00 PROT H ATOM 2894 OG1 THR P 213 -10.666 -10.445 16.606 1.00 0.00 PROT O ATOM 2895 HG1 THR P 213 -11.433 -11.028 16.617 1.00 0.00 PROT H ATOM 2896 CG2 THR P 213 -11.862 -9.397 14.761 1.00 0.00 PROT C ATOM 2897 HG21 THR P 213 -12.858 -9.861 14.920 1.00 0.00 PROT H ATOM 2898 HG22 THR P 213 -12.018 -8.416 14.264 1.00 0.00 PROT H ATOM 2899 HG23 THR P 213 -11.281 -10.047 14.072 1.00 0.00 PROT H ATOM 2900 C THR P 213 -8.940 -8.426 14.884 1.00 0.00 PROT C ATOM 2901 O THR P 213 -8.590 -7.330 14.453 1.00 0.00 PROT O ATOM 2902 N TYR P 214 -8.590 -9.607 14.425 1.00 0.00 PROT N ATOM 2903 HN TYR P 214 -8.882 -10.493 14.781 1.00 0.00 PROT H ATOM 2904 CA TYR P 214 -7.666 -9.682 13.257 1.00 0.00 PROT C ATOM 2905 HA TYR P 214 -7.714 -8.729 12.744 1.00 0.00 PROT H ATOM 2906 CB TYR P 214 -6.268 -9.856 13.856 1.00 0.00 PROT C ATOM 2907 HB1 TYR P 214 -6.135 -10.915 14.168 1.00 0.00 PROT H ATOM 2908 HB2 TYR P 214 -5.486 -9.636 13.098 1.00 0.00 PROT H ATOM 2909 CG TYR P 214 -5.928 -9.042 15.097 1.00 0.00 PROT C ATOM 2910 CD1 TYR P 214 -6.337 -9.498 16.365 1.00 0.00 PROT C ATOM 2911 HD1 TYR P 214 -6.907 -10.413 16.449 1.00 0.00 PROT H ATOM 2912 CE1 TYR P 214 -6.022 -8.754 17.499 1.00 0.00 PROT C ATOM 2913 HE1 TYR P 214 -6.368 -9.065 18.474 1.00 0.00 PROT H ATOM 2914 CZ TYR P 214 -5.245 -7.573 17.368 1.00 0.00 PROT C ATOM 2915 OH TYR P 214 -4.930 -6.884 18.494 1.00 0.00 PROT O ATOM 2916 HH TYR P 214 -4.349 -6.164 18.238 1.00 0.00 PROT H ATOM 2917 CD2 TYR P 214 -5.154 -7.873 14.999 1.00 0.00 PROT C ATOM 2918 HD2 TYR P 214 -4.851 -7.506 14.028 1.00 0.00 PROT H ATOM 2919 CE2 TYR P 214 -4.791 -7.119 16.126 1.00 0.00 PROT C ATOM 2920 HE2 TYR P 214 -4.205 -6.221 16.004 1.00 0.00 PROT H ATOM 2921 C TYR P 214 -8.173 -10.742 12.286 1.00 0.00 PROT C ATOM 2922 O TYR P 214 -8.841 -11.730 12.682 1.00 0.00 PROT O ATOM 2923 N ALA P 215 -7.927 -10.531 10.985 1.00 0.00 PROT N ATOM 2924 HN ALA P 215 -7.417 -9.792 10.545 1.00 0.00 PROT H ATOM 2925 CA ALA P 215 -8.498 -11.546 10.066 1.00 0.00 PROT C ATOM 2926 HA ALA P 215 -8.561 -12.495 10.586 1.00 0.00 PROT H ATOM 2927 CB ALA P 215 -9.930 -11.072 9.771 1.00 0.00 PROT C ATOM 2928 HB1 ALA P 215 -10.488 -10.955 10.725 1.00 0.00 PROT H ATOM 2929 HB2 ALA P 215 -9.926 -10.087 9.254 1.00 0.00 PROT H ATOM 2930 HB3 ALA P 215 -10.480 -11.801 9.138 1.00 0.00 PROT H ATOM 2931 C ALA P 215 -7.689 -11.794 8.830 1.00 0.00 PROT C ATOM 2932 O ALA P 215 -6.696 -11.080 8.608 1.00 0.00 PROT O ATOM 2933 N THR P 216 -8.136 -12.785 8.070 1.00 0.00 PROT N ATOM 2934 HN THR P 216 -8.937 -13.357 8.243 1.00 0.00 PROT H ATOM 2935 CA THR P 216 -7.407 -13.119 6.824 1.00 0.00 PROT C ATOM 2936 HA THR P 216 -6.596 -12.404 6.786 1.00 0.00 PROT H ATOM 2937 CB THR P 216 -6.838 -14.550 6.866 1.00 0.00 PROT C ATOM 2938 HB THR P 216 -7.713 -15.227 7.026 1.00 0.00 PROT H ATOM 2939 OG1 THR P 216 -6.036 -14.443 8.013 1.00 0.00 PROT O ATOM 2940 HG1 THR P 216 -5.620 -15.306 8.117 1.00 0.00 PROT H ATOM 2941 CG2 THR P 216 -6.112 -14.864 5.581 1.00 0.00 PROT C ATOM 2942 HG21 THR P 216 -5.797 -15.929 5.555 1.00 0.00 PROT H ATOM 2943 HG22 THR P 216 -6.774 -14.682 4.708 1.00 0.00 PROT H ATOM 2944 HG23 THR P 216 -5.206 -14.231 5.468 1.00 0.00 PROT H ATOM 2945 C THR P 216 -8.210 -12.928 5.555 1.00 0.00 PROT C ATOM 2946 O THR P 216 -9.166 -13.652 5.350 1.00 0.00 PROT O ATOM 2947 N LEU P 217 -7.727 -11.999 4.779 1.00 0.00 PROT N ATOM 2948 HN LEU P 217 -6.909 -11.508 5.072 1.00 0.00 PROT H ATOM 2949 CA LEU P 217 -8.251 -11.572 3.489 1.00 0.00 PROT C ATOM 2950 HA LEU P 217 -9.116 -12.180 3.256 1.00 0.00 PROT H ATOM 2951 CB LEU P 217 -8.515 -10.080 3.577 1.00 0.00 PROT C ATOM 2952 HB1 LEU P 217 -8.035 -9.716 4.515 1.00 0.00 PROT H ATOM 2953 HB2 LEU P 217 -7.986 -9.569 2.742 1.00 0.00 PROT H ATOM 2954 CG LEU P 217 -9.836 -9.359 3.616 1.00 0.00 PROT C ATOM 2955 HG LEU P 217 -10.425 -9.673 2.721 1.00 0.00 PROT H ATOM 2956 CD1 LEU P 217 -10.568 -9.711 4.879 1.00 0.00 PROT C ATOM 2957 HD11 LEU P 217 -11.524 -9.149 4.945 1.00 0.00 PROT H ATOM 2958 HD12 LEU P 217 -10.799 -10.798 4.908 1.00 0.00 PROT H ATOM 2959 HD13 LEU P 217 -9.956 -9.459 5.771 1.00 0.00 PROT H ATOM 2960 CD2 LEU P 217 -9.662 -7.857 3.558 1.00 0.00 PROT C ATOM 2961 HD21 LEU P 217 -10.653 -7.353 3.570 1.00 0.00 PROT H ATOM 2962 HD22 LEU P 217 -9.082 -7.478 4.423 1.00 0.00 PROT H ATOM 2963 HD23 LEU P 217 -9.133 -7.562 2.626 1.00 0.00 PROT H ATOM 2964 C LEU P 217 -7.186 -11.863 2.436 1.00 0.00 PROT C ATOM 2965 O LEU P 217 -5.998 -12.129 2.748 1.00 0.00 PROT O ATOM 2966 N ASN P 218 -7.636 -11.803 1.210 1.00 0.00 PROT N ATOM 2967 HN ASN P 218 -8.583 -11.568 0.996 1.00 0.00 PROT H ATOM 2968 CA ASN P 218 -6.791 -12.076 0.028 1.00 0.00 PROT C ATOM 2969 HA ASN P 218 -5.759 -12.051 0.362 1.00 0.00 PROT H ATOM 2970 CB ASN P 218 -7.284 -13.366 -0.655 1.00 0.00 PROT C ATOM 2971 HB1 ASN P 218 -8.392 -13.311 -0.726 1.00 0.00 PROT H ATOM 2972 HB2 ASN P 218 -6.887 -13.431 -1.689 1.00 0.00 PROT H ATOM 2973 CG ASN P 218 -6.944 -14.619 0.092 1.00 0.00 PROT C ATOM 2974 OD1 ASN P 218 -5.816 -14.797 0.539 1.00 0.00 PROT O ATOM 2975 ND2 ASN P 218 -7.864 -15.558 0.291 1.00 0.00 PROT N ATOM 2976 HD21 ASN P 218 -7.589 -16.367 0.804 1.00 0.00 PROT H ATOM 2977 HD22 ASN P 218 -8.792 -15.424 -0.041 1.00 0.00 PROT H ATOM 2978 C ASN P 218 -6.980 -10.938 -0.980 1.00 0.00 PROT C ATOM 2979 O ASN P 218 -8.086 -10.396 -0.991 1.00 0.00 PROT O ATOM 2980 N GLY P 219 -5.972 -10.662 -1.767 1.00 0.00 PROT N ATOM 2981 HN GLY P 219 -5.089 -11.127 -1.716 1.00 0.00 PROT H ATOM 2982 CA GLY P 219 -6.083 -9.631 -2.792 1.00 0.00 PROT C ATOM 2983 HA1 GLY P 219 -6.906 -8.991 -2.505 1.00 0.00 PROT H ATOM 2984 HA2 GLY P 219 -6.222 -10.137 -3.738 1.00 0.00 PROT H ATOM 2985 C GLY P 219 -4.843 -8.778 -2.899 1.00 0.00 PROT C ATOM 2986 O GLY P 219 -3.906 -8.689 -2.097 1.00 0.00 PROT O ATOM 2987 N THR P 220 -4.871 -8.096 -4.017 1.00 0.00 PROT N ATOM 2988 HN THR P 220 -5.634 -8.234 -4.648 1.00 0.00 PROT H ATOM 2989 CA THR P 220 -3.887 -7.122 -4.471 1.00 0.00 PROT C ATOM 2990 HA THR P 220 -2.900 -7.544 -4.334 1.00 0.00 PROT H ATOM 2991 CB THR P 220 -4.311 -6.864 -5.928 1.00 0.00 PROT C ATOM 2992 HB THR P 220 -4.726 -7.830 -6.306 1.00 0.00 PROT H ATOM 2993 OG1 THR P 220 -3.118 -6.552 -6.630 1.00 0.00 PROT O ATOM 2994 HG1 THR P 220 -3.392 -6.381 -7.538 1.00 0.00 PROT H ATOM 2995 CG2 THR P 220 -5.308 -5.774 -6.071 1.00 0.00 PROT C ATOM 2996 HG21 THR P 220 -5.667 -5.701 -7.119 1.00 0.00 PROT H ATOM 2997 HG22 THR P 220 -6.188 -5.967 -5.422 1.00 0.00 PROT H ATOM 2998 HG23 THR P 220 -4.872 -4.793 -5.784 1.00 0.00 PROT H ATOM 2999 C THR P 220 -4.001 -5.957 -3.492 1.00 0.00 PROT C ATOM 3000 O THR P 220 -3.092 -5.159 -3.250 1.00 0.00 PROT O ATOM 3001 N SER P 221 -5.183 -5.840 -2.932 1.00 0.00 PROT N ATOM 3002 HN SER P 221 -5.899 -6.509 -3.128 1.00 0.00 PROT H ATOM 3003 CA SER P 221 -5.588 -4.784 -2.005 1.00 0.00 PROT C ATOM 3004 HA SER P 221 -5.391 -3.837 -2.491 1.00 0.00 PROT H ATOM 3005 CB SER P 221 -7.081 -4.870 -1.706 1.00 0.00 PROT C ATOM 3006 HB1 SER P 221 -7.553 -5.516 -2.481 1.00 0.00 PROT H ATOM 3007 HB2 SER P 221 -7.252 -5.362 -0.722 1.00 0.00 PROT H ATOM 3008 OG SER P 221 -7.776 -3.625 -1.728 1.00 0.00 PROT O ATOM 3009 HG1 SER P 221 -8.720 -3.827 -1.750 1.00 0.00 PROT H ATOM 3010 C SER P 221 -4.697 -4.855 -0.775 1.00 0.00 PROT C ATOM 3011 O SER P 221 -4.471 -3.855 -0.086 1.00 0.00 PROT O ATOM 3012 N MET P 222 -4.230 -6.053 -0.523 1.00 0.00 PROT N ATOM 3013 HN MET P 222 -4.512 -6.790 -1.133 1.00 0.00 PROT H ATOM 3014 CA MET P 222 -3.335 -6.469 0.549 1.00 0.00 PROT C ATOM 3015 HA MET P 222 -3.465 -5.760 1.357 1.00 0.00 PROT H ATOM 3016 CB MET P 222 -3.636 -7.918 0.960 1.00 0.00 PROT C ATOM 3017 HB1 MET P 222 -3.831 -8.488 0.021 1.00 0.00 PROT H ATOM 3018 HB2 MET P 222 -2.726 -8.369 1.415 1.00 0.00 PROT H ATOM 3019 CG MET P 222 -4.774 -8.222 1.860 1.00 0.00 PROT C ATOM 3020 HG1 MET P 222 -4.703 -9.265 2.234 1.00 0.00 PROT H ATOM 3021 HG2 MET P 222 -4.744 -7.546 2.742 1.00 0.00 PROT H ATOM 3022 SD MET P 222 -6.411 -8.049 1.081 1.00 0.00 PROT S ATOM 3023 CE MET P 222 -7.107 -6.927 2.317 1.00 0.00 PROT C ATOM 3024 HE1 MET P 222 -8.157 -6.663 2.066 1.00 0.00 PROT H ATOM 3025 HE2 MET P 222 -7.104 -7.393 3.326 1.00 0.00 PROT H ATOM 3026 HE3 MET P 222 -6.523 -5.984 2.375 1.00 0.00 PROT H ATOM 3027 C MET P 222 -1.860 -6.417 0.118 1.00 0.00 PROT C ATOM 3028 O MET P 222 -0.946 -6.263 0.958 1.00 0.00 PROT O ATOM 3029 N ALA P 223 -1.649 -6.587 -1.182 1.00 0.00 PROT N ATOM 3030 HN ALA P 223 -2.420 -6.745 -1.799 1.00 0.00 PROT H ATOM 3031 CA ALA P 223 -0.328 -6.562 -1.819 1.00 0.00 PROT C ATOM 3032 HA ALA P 223 0.358 -7.220 -1.297 1.00 0.00 PROT H ATOM 3033 CB ALA P 223 -0.412 -7.153 -3.227 1.00 0.00 PROT C ATOM 3034 HB1 ALA P 223 -0.823 -8.184 -3.175 1.00 0.00 PROT H ATOM 3035 HB2 ALA P 223 -1.085 -6.549 -3.874 1.00 0.00 PROT H ATOM 3036 HB3 ALA P 223 0.588 -7.207 -3.709 1.00 0.00 PROT H ATOM 3037 C ALA P 223 0.288 -5.167 -1.765 1.00 0.00 PROT C ATOM 3038 O ALA P 223 1.446 -4.945 -1.349 1.00 0.00 PROT O ATOM 3039 N SER P 224 -0.446 -4.178 -2.169 1.00 0.00 PROT N ATOM 3040 HN SER P 224 -1.341 -4.465 -2.512 1.00 0.00 PROT H ATOM 3041 CA SER P 224 -0.223 -2.756 -2.219 1.00 0.00 PROT C ATOM 3042 HA SER P 224 0.527 -2.671 -2.995 1.00 0.00 PROT H ATOM 3043 CB SER P 224 -1.609 -2.126 -2.534 1.00 0.00 PROT C ATOM 3044 HB1 SER P 224 -1.923 -2.470 -3.546 1.00 0.00 PROT H ATOM 3045 HB2 SER P 224 -2.374 -2.491 -1.812 1.00 0.00 PROT H ATOM 3046 OG SER P 224 -1.419 -0.717 -2.507 1.00 0.00 PROT O ATOM 3047 HG1 SER P 224 -2.198 -0.318 -2.914 1.00 0.00 PROT H ATOM 3048 C SER P 224 0.311 -2.032 -0.992 1.00 0.00 PROT C ATOM 3049 O SER P 224 1.131 -1.088 -1.086 1.00 0.00 PROT O ATOM 3050 N PRO P 225 -0.184 -2.356 0.193 1.00 0.00 PROT N ATOM 3051 CD PRO P 225 -1.189 -3.447 0.438 1.00 0.00 PROT C ATOM 3052 HD1 PRO P 225 -2.261 -3.359 0.150 1.00 0.00 PROT H ATOM 3053 HD2 PRO P 225 -0.701 -4.276 -0.124 1.00 0.00 PROT H ATOM 3054 CA PRO P 225 0.185 -1.770 1.479 1.00 0.00 PROT C ATOM 3055 HA PRO P 225 0.150 -0.688 1.430 1.00 0.00 PROT H ATOM 3056 CB PRO P 225 -0.898 -2.269 2.454 1.00 0.00 PROT C ATOM 3057 HB1 PRO P 225 -1.778 -1.589 2.398 1.00 0.00 PROT H ATOM 3058 HB2 PRO P 225 -0.543 -2.312 3.504 1.00 0.00 PROT H ATOM 3059 CG PRO P 225 -1.069 -3.695 1.948 1.00 0.00 PROT C ATOM 3060 HG1 PRO P 225 -2.055 -4.130 2.206 1.00 0.00 PROT H ATOM 3061 HG2 PRO P 225 -0.260 -4.334 2.371 1.00 0.00 PROT H ATOM 3062 C PRO P 225 1.585 -2.206 1.907 1.00 0.00 PROT C ATOM 3063 O PRO P 225 2.252 -1.384 2.563 1.00 0.00 PROT O ATOM 3064 N HSD P 226 1.927 -3.434 1.531 1.00 0.00 PROT N ATOM 3065 HN HSD P 226 1.319 -4.046 1.027 1.00 0.00 PROT H ATOM 3066 CA HSD P 226 3.269 -3.991 1.843 1.00 0.00 PROT C ATOM 3067 HA HSD P 226 3.484 -3.910 2.901 1.00 0.00 PROT H ATOM 3068 CB HSD P 226 3.496 -5.433 1.440 1.00 0.00 PROT C ATOM 3069 HB1 HSD P 226 3.239 -5.553 0.365 1.00 0.00 PROT H ATOM 3070 HB2 HSD P 226 4.575 -5.682 1.542 1.00 0.00 PROT H ATOM 3071 ND1 HSD P 226 1.572 -6.954 1.636 1.00 0.00 PROT N ATOM 3072 HD1 HSD P 226 1.118 -6.614 0.812 1.00 0.00 PROT H ATOM 3073 CG HSD P 226 2.781 -6.545 2.118 1.00 0.00 PROT C ATOM 3074 CE1 HSD P 226 1.141 -7.961 2.372 1.00 0.00 PROT C ATOM 3075 HE1 HSD P 226 0.211 -8.503 2.179 1.00 0.00 PROT H ATOM 3076 NE2 HSD P 226 1.996 -8.212 3.354 1.00 0.00 PROT N ATOM 3077 CD2 HSD P 226 3.067 -7.336 3.184 1.00 0.00 PROT C ATOM 3078 HD2 HSD P 226 3.925 -7.321 3.845 1.00 0.00 PROT H ATOM 3079 C HSD P 226 4.235 -3.056 1.107 1.00 0.00 PROT C ATOM 3080 O HSD P 226 5.180 -2.584 1.707 1.00 0.00 PROT O ATOM 3081 N VAL P 227 3.918 -2.773 -0.150 1.00 0.00 PROT N ATOM 3082 HN VAL P 227 3.143 -3.159 -0.644 1.00 0.00 PROT H ATOM 3083 CA VAL P 227 4.732 -1.822 -0.937 1.00 0.00 PROT C ATOM 3084 HA VAL P 227 5.763 -2.152 -0.901 1.00 0.00 PROT H ATOM 3085 CB VAL P 227 4.358 -1.852 -2.429 1.00 0.00 PROT C ATOM 3086 HB VAL P 227 3.351 -1.377 -2.534 1.00 0.00 PROT H ATOM 3087 CG1 VAL P 227 5.338 -1.074 -3.342 1.00 0.00 PROT C ATOM 3088 HG11 VAL P 227 5.032 -1.169 -4.406 1.00 0.00 PROT H ATOM 3089 HG12 VAL P 227 5.354 0.008 -3.098 1.00 0.00 PROT H ATOM 3090 HG13 VAL P 227 6.369 -1.476 -3.244 1.00 0.00 PROT H ATOM 3091 CG2 VAL P 227 4.174 -3.255 -2.939 1.00 0.00 PROT C ATOM 3092 HG21 VAL P 227 3.944 -3.251 -4.026 1.00 0.00 PROT H ATOM 3093 HG22 VAL P 227 5.097 -3.853 -2.779 1.00 0.00 PROT H ATOM 3094 HG23 VAL P 227 3.335 -3.764 -2.421 1.00 0.00 PROT H ATOM 3095 C VAL P 227 4.671 -0.433 -0.291 1.00 0.00 PROT C ATOM 3096 O VAL P 227 5.713 0.246 -0.220 1.00 0.00 PROT O ATOM 3097 N ALA P 228 3.545 0.062 0.166 1.00 0.00 PROT N ATOM 3098 HN ALA P 228 2.698 -0.466 0.106 1.00 0.00 PROT H ATOM 3099 CA ALA P 228 3.417 1.405 0.794 1.00 0.00 PROT C ATOM 3100 HA ALA P 228 3.778 2.163 0.108 1.00 0.00 PROT H ATOM 3101 CB ALA P 228 1.961 1.809 1.049 1.00 0.00 PROT C ATOM 3102 HB1 ALA P 228 1.385 1.744 0.102 1.00 0.00 PROT H ATOM 3103 HB2 ALA P 228 1.482 1.130 1.788 1.00 0.00 PROT H ATOM 3104 HB3 ALA P 228 1.886 2.852 1.425 1.00 0.00 PROT H ATOM 3105 C ALA P 228 4.234 1.554 2.065 1.00 0.00 PROT C ATOM 3106 O ALA P 228 4.719 2.669 2.330 1.00 0.00 PROT O ATOM 3107 N GLY P 229 4.377 0.468 2.838 1.00 0.00 PROT N ATOM 3108 HN GLY P 229 3.954 -0.421 2.666 1.00 0.00 PROT H ATOM 3109 CA GLY P 229 5.222 0.551 4.054 1.00 0.00 PROT C ATOM 3110 HA1 GLY P 229 4.961 -0.291 4.680 1.00 0.00 PROT H ATOM 3111 HA2 GLY P 229 5.039 1.516 4.508 1.00 0.00 PROT H ATOM 3112 C GLY P 229 6.728 0.456 3.730 1.00 0.00 PROT C ATOM 3113 O GLY P 229 7.605 1.212 4.229 1.00 0.00 PROT O ATOM 3114 N ALA P 230 7.086 -0.496 2.882 1.00 0.00 PROT N ATOM 3115 HN ALA P 230 6.406 -1.113 2.488 1.00 0.00 PROT H ATOM 3116 CA ALA P 230 8.473 -0.729 2.453 1.00 0.00 PROT C ATOM 3117 HA ALA P 230 9.077 -1.121 3.264 1.00 0.00 PROT H ATOM 3118 CB ALA P 230 8.582 -1.765 1.346 1.00 0.00 PROT C ATOM 3119 HB1 ALA P 230 8.155 -2.729 1.695 1.00 0.00 PROT H ATOM 3120 HB2 ALA P 230 8.016 -1.447 0.444 1.00 0.00 PROT H ATOM 3121 HB3 ALA P 230 9.640 -1.943 1.055 1.00 0.00 PROT H ATOM 3122 C ALA P 230 9.108 0.595 2.045 1.00 0.00 PROT C ATOM 3123 O ALA P 230 10.307 0.771 2.285 1.00 0.00 PROT O ATOM 3124 N ALA P 231 8.347 1.519 1.459 1.00 0.00 PROT N ATOM 3125 HN ALA P 231 7.380 1.358 1.266 1.00 0.00 PROT H ATOM 3126 CA ALA P 231 8.862 2.838 1.052 1.00 0.00 PROT C ATOM 3127 HA ALA P 231 9.835 2.722 0.588 1.00 0.00 PROT H ATOM 3128 CB ALA P 231 7.901 3.407 0.016 1.00 0.00 PROT C ATOM 3129 HB1 ALA P 231 7.824 2.708 -0.844 1.00 0.00 PROT H ATOM 3130 HB2 ALA P 231 6.883 3.536 0.444 1.00 0.00 PROT H ATOM 3131 HB3 ALA P 231 8.250 4.389 -0.370 1.00 0.00 PROT H ATOM 3132 C ALA P 231 9.055 3.793 2.225 1.00 0.00 PROT C ATOM 3133 O ALA P 231 9.916 4.698 2.221 1.00 0.00 PROT O ATOM 3134 N ALA P 232 8.236 3.621 3.255 1.00 0.00 PROT N ATOM 3135 HN ALA P 232 7.540 2.904 3.259 1.00 0.00 PROT H ATOM 3136 CA ALA P 232 8.285 4.469 4.473 1.00 0.00 PROT C ATOM 3137 HA ALA P 232 8.311 5.523 4.221 1.00 0.00 PROT H ATOM 3138 CB ALA P 232 7.024 4.335 5.284 1.00 0.00 PROT C ATOM 3139 HB1 ALA P 232 6.148 4.613 4.660 1.00 0.00 PROT H ATOM 3140 HB2 ALA P 232 6.880 3.288 5.628 1.00 0.00 PROT H ATOM 3141 HB3 ALA P 232 7.037 5.001 6.173 1.00 0.00 PROT H ATOM 3142 C ALA P 232 9.583 4.175 5.248 1.00 0.00 PROT C ATOM 3143 O ALA P 232 10.280 5.088 5.735 1.00 0.00 PROT O ATOM 3144 N LEU P 233 9.857 2.862 5.266 1.00 0.00 PROT N ATOM 3145 HN LEU P 233 9.240 2.197 4.850 1.00 0.00 PROT H ATOM 3146 CA LEU P 233 11.057 2.272 5.879 1.00 0.00 PROT C ATOM 3147 HA LEU P 233 11.031 2.503 6.936 1.00 0.00 PROT H ATOM 3148 CB LEU P 233 11.143 0.784 5.530 1.00 0.00 PROT C ATOM 3149 HB1 LEU P 233 10.508 0.620 4.629 1.00 0.00 PROT H ATOM 3150 HB2 LEU P 233 12.185 0.545 5.221 1.00 0.00 PROT H ATOM 3151 CG LEU P 233 10.694 -0.182 6.600 1.00 0.00 PROT C ATOM 3152 HG LEU P 233 11.622 -0.681 6.970 1.00 0.00 PROT H ATOM 3153 CD1 LEU P 233 10.099 0.634 7.726 1.00 0.00 PROT C ATOM 3154 HD11 LEU P 233 9.706 -0.031 8.524 1.00 0.00 PROT H ATOM 3155 HD12 LEU P 233 10.867 1.301 8.174 1.00 0.00 PROT H ATOM 3156 HD13 LEU P 233 9.261 1.262 7.355 1.00 0.00 PROT H ATOM 3157 CD2 LEU P 233 9.752 -1.254 6.105 1.00 0.00 PROT C ATOM 3158 HD21 LEU P 233 9.477 -1.939 6.936 1.00 0.00 PROT H ATOM 3159 HD22 LEU P 233 8.815 -0.821 5.701 1.00 0.00 PROT H ATOM 3160 HD23 LEU P 233 10.233 -1.855 5.304 1.00 0.00 PROT H ATOM 3161 C LEU P 233 12.299 2.936 5.293 1.00 0.00 PROT C ATOM 3162 O LEU P 233 13.161 3.429 6.034 1.00 0.00 PROT O ATOM 3163 N ILE P 234 12.316 2.857 3.981 1.00 0.00 PROT N ATOM 3164 HN ILE P 234 11.565 2.395 3.514 1.00 0.00 PROT H ATOM 3165 CA ILE P 234 13.358 3.393 3.073 1.00 0.00 PROT C ATOM 3166 HA ILE P 234 14.307 2.978 3.387 1.00 0.00 PROT H ATOM 3167 CB ILE P 234 12.896 3.184 1.631 1.00 0.00 PROT C ATOM 3168 HB ILE P 234 11.792 3.015 1.712 1.00 0.00 PROT H ATOM 3169 CG2 ILE P 234 13.139 4.437 0.818 1.00 0.00 PROT C ATOM 3170 HG21 ILE P 234 12.667 4.351 -0.183 1.00 0.00 PROT H ATOM 3171 HG22 ILE P 234 12.703 5.326 1.320 1.00 0.00 PROT H ATOM 3172 HG23 ILE P 234 14.226 4.613 0.675 1.00 0.00 PROT H ATOM 3173 CG1 ILE P 234 13.423 1.943 0.940 1.00 0.00 PROT C ATOM 3174 HG11 ILE P 234 14.528 2.014 0.830 1.00 0.00 PROT H ATOM 3175 HG12 ILE P 234 13.212 1.056 1.581 1.00 0.00 PROT H ATOM 3176 CD ILE P 234 12.768 1.734 -0.442 1.00 0.00 PROT C ATOM 3177 HD1 ILE P 234 13.129 0.788 -0.901 1.00 0.00 PROT H ATOM 3178 HD2 ILE P 234 11.662 1.675 -0.347 1.00 0.00 PROT H ATOM 3179 HD3 ILE P 234 13.018 2.567 -1.132 1.00 0.00 PROT H ATOM 3180 C ILE P 234 13.449 4.913 3.274 1.00 0.00 PROT C ATOM 3181 O ILE P 234 14.533 5.489 3.391 1.00 0.00 PROT O ATOM 3182 N LEU P 235 12.252 5.512 3.303 1.00 0.00 PROT N ATOM 3183 HN LEU P 235 11.401 5.004 3.189 1.00 0.00 PROT H ATOM 3184 CA LEU P 235 12.071 6.955 3.502 1.00 0.00 PROT C ATOM 3185 HA LEU P 235 12.711 7.478 2.804 1.00 0.00 PROT H ATOM 3186 CB LEU P 235 10.656 7.335 3.249 1.00 0.00 PROT C ATOM 3187 HB1 LEU P 235 10.161 6.459 2.769 1.00 0.00 PROT H ATOM 3188 HB2 LEU P 235 10.141 7.483 4.224 1.00 0.00 PROT H ATOM 3189 CG LEU P 235 10.004 8.429 2.456 1.00 0.00 PROT C ATOM 3190 HG LEU P 235 9.974 9.320 3.129 1.00 0.00 PROT H ATOM 3191 CD1 LEU P 235 10.798 8.750 1.207 1.00 0.00 PROT C ATOM 3192 HD11 LEU P 235 10.280 9.527 0.605 1.00 0.00 PROT H ATOM 3193 HD12 LEU P 235 11.808 9.129 1.472 1.00 0.00 PROT H ATOM 3194 HD13 LEU P 235 10.918 7.845 0.575 1.00 0.00 PROT H ATOM 3195 CD2 LEU P 235 8.564 8.070 2.080 1.00 0.00 PROT C ATOM 3196 HD21 LEU P 235 8.095 8.901 1.510 1.00 0.00 PROT H ATOM 3197 HD22 LEU P 235 8.520 7.161 1.447 1.00 0.00 PROT H ATOM 3198 HD23 LEU P 235 7.957 7.889 2.993 1.00 0.00 PROT H ATOM 3199 C LEU P 235 12.558 7.290 4.917 1.00 0.00 PROT C ATOM 3200 O LEU P 235 12.944 8.445 5.134 1.00 0.00 PROT O ATOM 3201 N SER P 236 12.580 6.301 5.808 1.00 0.00 PROT N ATOM 3202 HN SER P 236 12.292 5.358 5.640 1.00 0.00 PROT H ATOM 3203 CA SER P 236 13.061 6.552 7.187 1.00 0.00 PROT C ATOM 3204 HA SER P 236 12.834 7.590 7.392 1.00 0.00 PROT H ATOM 3205 CB SER P 236 12.210 5.792 8.168 1.00 0.00 PROT C ATOM 3206 HB1 SER P 236 12.294 6.292 9.160 1.00 0.00 PROT H ATOM 3207 HB2 SER P 236 11.138 5.838 7.869 1.00 0.00 PROT H ATOM 3208 OG SER P 236 12.529 4.460 8.391 1.00 0.00 PROT O ATOM 3209 HG1 SER P 236 12.055 4.184 9.185 1.00 0.00 PROT H ATOM 3210 C SER P 236 14.585 6.385 7.305 1.00 0.00 PROT C ATOM 3211 O SER P 236 15.249 6.920 8.240 1.00 0.00 PROT O ATOM 3212 N LYS P 237 15.169 5.675 6.333 1.00 0.00 PROT N ATOM 3213 HN LYS P 237 14.643 5.260 5.593 1.00 0.00 PROT H ATOM 3214 CA LYS P 237 16.621 5.447 6.271 1.00 0.00 PROT C ATOM 3215 HA LYS P 237 16.999 5.502 7.285 1.00 0.00 PROT H ATOM 3216 CB LYS P 237 17.008 4.125 5.655 1.00 0.00 PROT C ATOM 3217 HB1 LYS P 237 16.234 3.383 5.959 1.00 0.00 PROT H ATOM 3218 HB2 LYS P 237 16.943 4.209 4.547 1.00 0.00 PROT H ATOM 3219 CG LYS P 237 18.340 3.458 5.958 1.00 0.00 PROT C ATOM 3220 HG1 LYS P 237 19.130 3.914 5.319 1.00 0.00 PROT H ATOM 3221 HG2 LYS P 237 18.613 3.660 7.019 1.00 0.00 PROT H ATOM 3222 CD LYS P 237 18.231 1.959 5.678 1.00 0.00 PROT C ATOM 3223 HD1 LYS P 237 17.591 1.500 6.466 1.00 0.00 PROT H ATOM 3224 HD2 LYS P 237 17.707 1.825 4.703 1.00 0.00 PROT H ATOM 3225 CE LYS P 237 19.600 1.253 5.632 1.00 0.00 PROT C ATOM 3226 HE1 LYS P 237 20.411 1.956 5.927 1.00 0.00 PROT H ATOM 3227 HE2 LYS P 237 19.616 0.385 6.328 1.00 0.00 PROT H ATOM 3228 NZ LYS P 237 19.817 0.784 4.222 1.00 0.00 PROT N ATOM 3229 HZ1 LYS P 237 20.735 0.300 4.145 1.00 0.00 PROT H ATOM 3230 HZ2 LYS P 237 19.057 0.127 3.954 1.00 0.00 PROT H ATOM 3231 HZ3 LYS P 237 19.804 1.602 3.580 1.00 0.00 PROT H ATOM 3232 C LYS P 237 17.315 6.557 5.461 1.00 0.00 PROT C ATOM 3233 O LYS P 237 18.381 7.048 5.847 1.00 0.00 PROT O ATOM 3234 N HSE P 238 16.738 6.900 4.337 1.00 0.00 PROT N ATOM 3235 HN HSE P 238 15.882 6.460 4.069 1.00 0.00 PROT H ATOM 3236 CA HSE P 238 17.228 7.904 3.383 1.00 0.00 PROT C ATOM 3237 HA HSE P 238 18.031 8.469 3.840 1.00 0.00 PROT H ATOM 3238 CB HSE P 238 17.558 7.238 2.055 1.00 0.00 PROT C ATOM 3239 HB1 HSE P 238 16.637 6.737 1.686 1.00 0.00 PROT H ATOM 3240 HB2 HSE P 238 17.828 8.014 1.308 1.00 0.00 PROT H ATOM 3241 ND1 HSE P 238 18.385 4.875 2.260 1.00 0.00 PROT N ATOM 3242 CG HSE P 238 18.648 6.222 2.241 1.00 0.00 PROT C ATOM 3243 CE1 HSE P 238 19.515 4.264 2.415 1.00 0.00 PROT C ATOM 3244 HE1 HSE P 238 19.630 3.179 2.480 1.00 0.00 PROT H ATOM 3245 NE2 HSE P 238 20.521 5.153 2.491 1.00 0.00 PROT N ATOM 3246 HE2 HSE P 238 21.491 4.943 2.612 1.00 0.00 PROT H ATOM 3247 CD2 HSE P 238 19.973 6.415 2.402 1.00 0.00 PROT C ATOM 3248 HD2 HSE P 238 20.537 7.335 2.466 1.00 0.00 PROT H ATOM 3249 C HSE P 238 16.064 8.874 3.162 1.00 0.00 PROT C ATOM 3250 O HSE P 238 15.319 8.658 2.227 1.00 0.00 PROT O ATOM 3251 N PRO P 239 15.972 9.818 4.053 1.00 0.00 PROT N ATOM 3252 CD PRO P 239 16.969 10.006 5.197 1.00 0.00 PROT C ATOM 3253 HD1 PRO P 239 17.023 9.220 5.984 1.00 0.00 PROT H ATOM 3254 HD2 PRO P 239 17.960 10.131 4.703 1.00 0.00 PROT H ATOM 3255 CA PRO P 239 14.901 10.793 4.106 1.00 0.00 PROT C ATOM 3256 HA PRO P 239 13.956 10.313 3.882 1.00 0.00 PROT H ATOM 3257 CB PRO P 239 15.008 11.263 5.579 1.00 0.00 PROT C ATOM 3258 HB1 PRO P 239 14.434 10.563 6.226 1.00 0.00 PROT H ATOM 3259 HB2 PRO P 239 14.622 12.291 5.730 1.00 0.00 PROT H ATOM 3260 CG PRO P 239 16.517 11.338 5.813 1.00 0.00 PROT C ATOM 3261 HG1 PRO P 239 16.793 11.256 6.883 1.00 0.00 PROT H ATOM 3262 HG2 PRO P 239 16.905 12.299 5.403 1.00 0.00 PROT H ATOM 3263 C PRO P 239 15.109 11.949 3.150 1.00 0.00 PROT C ATOM 3264 O PRO P 239 14.360 12.913 3.180 1.00 0.00 PROT O ATOM 3265 N ASN P 240 16.151 11.798 2.380 1.00 0.00 PROT N ATOM 3266 HN ASN P 240 16.715 10.974 2.413 1.00 0.00 PROT H ATOM 3267 CA ASN P 240 16.595 12.799 1.406 1.00 0.00 PROT C ATOM 3268 HA ASN P 240 16.081 13.721 1.657 1.00 0.00 PROT H ATOM 3269 CB ASN P 240 18.109 12.920 1.633 1.00 0.00 PROT C ATOM 3270 HB1 ASN P 240 18.543 13.450 0.757 1.00 0.00 PROT H ATOM 3271 HB2 ASN P 240 18.316 13.537 2.531 1.00 0.00 PROT H ATOM 3272 CG ASN P 240 18.706 11.514 1.741 1.00 0.00 PROT C ATOM 3273 OD1 ASN P 240 18.622 10.739 0.777 1.00 0.00 PROT O ATOM 3274 ND2 ASN P 240 19.270 11.156 2.881 1.00 0.00 PROT N ATOM 3275 HD21 ASN P 240 19.663 10.242 2.930 1.00 0.00 PROT H ATOM 3276 HD22 ASN P 240 19.316 11.800 3.638 1.00 0.00 PROT H ATOM 3277 C ASN P 240 16.156 12.393 0.013 1.00 0.00 PROT C ATOM 3278 O ASN P 240 15.959 13.264 -0.842 1.00 0.00 PROT O ATOM 3279 N LEU P 241 15.993 11.102 -0.188 1.00 0.00 PROT N ATOM 3280 HN LEU P 241 16.153 10.443 0.544 1.00 0.00 PROT H ATOM 3281 CA LEU P 241 15.578 10.506 -1.447 1.00 0.00 PROT C ATOM 3282 HA LEU P 241 16.377 10.682 -2.156 1.00 0.00 PROT H ATOM 3283 CB LEU P 241 15.298 9.025 -1.268 1.00 0.00 PROT C ATOM 3284 HB1 LEU P 241 14.395 8.937 -0.621 1.00 0.00 PROT H ATOM 3285 HB2 LEU P 241 15.016 8.589 -2.252 1.00 0.00 PROT H ATOM 3286 CG LEU P 241 16.345 8.122 -0.651 1.00 0.00 PROT C ATOM 3287 HG LEU P 241 16.279 8.234 0.458 1.00 0.00 PROT H ATOM 3288 CD1 LEU P 241 15.967 6.715 -1.021 1.00 0.00 PROT C ATOM 3289 HD11 LEU P 241 16.723 5.995 -0.640 1.00 0.00 PROT H ATOM 3290 HD12 LEU P 241 14.980 6.448 -0.586 1.00 0.00 PROT H ATOM 3291 HD13 LEU P 241 15.907 6.602 -2.124 1.00 0.00 PROT H ATOM 3292 CD2 LEU P 241 17.755 8.463 -1.072 1.00 0.00 PROT C ATOM 3293 HD21 LEU P 241 18.481 7.783 -0.576 1.00 0.00 PROT H ATOM 3294 HD22 LEU P 241 17.892 8.361 -2.167 1.00 0.00 PROT H ATOM 3295 HD23 LEU P 241 18.005 9.507 -0.784 1.00 0.00 PROT H ATOM 3296 C LEU P 241 14.326 11.189 -1.985 1.00 0.00 PROT C ATOM 3297 O LEU P 241 13.624 11.848 -1.229 1.00 0.00 PROT O ATOM 3298 N SER P 242 14.137 10.980 -3.271 1.00 0.00 PROT N ATOM 3299 HN SER P 242 14.745 10.459 -3.870 1.00 0.00 PROT H ATOM 3300 CA SER P 242 12.937 11.538 -3.956 1.00 0.00 PROT C ATOM 3301 HA SER P 242 12.430 12.203 -3.270 1.00 0.00 PROT H ATOM 3302 CB SER P 242 13.325 12.303 -5.195 1.00 0.00 PROT C ATOM 3303 HB1 SER P 242 12.392 12.588 -5.732 1.00 0.00 PROT H ATOM 3304 HB2 SER P 242 13.846 13.248 -4.920 1.00 0.00 PROT H ATOM 3305 OG SER P 242 14.119 11.546 -6.074 1.00 0.00 PROT O ATOM 3306 HG1 SER P 242 14.133 12.014 -6.918 1.00 0.00 PROT H ATOM 3307 C SER P 242 12.004 10.337 -4.204 1.00 0.00 PROT C ATOM 3308 O SER P 242 12.344 9.148 -4.005 1.00 0.00 PROT O ATOM 3309 N ALA P 243 10.784 10.682 -4.595 1.00 0.00 PROT N ATOM 3310 HN ALA P 243 10.472 11.619 -4.750 1.00 0.00 PROT H ATOM 3311 CA ALA P 243 9.765 9.620 -4.834 1.00 0.00 PROT C ATOM 3312 HA ALA P 243 9.509 9.034 -3.959 1.00 0.00 PROT H ATOM 3313 CB ALA P 243 8.470 10.220 -5.259 1.00 0.00 PROT C ATOM 3314 HB1 ALA P 243 8.054 10.833 -4.431 1.00 0.00 PROT H ATOM 3315 HB2 ALA P 243 8.607 10.884 -6.140 1.00 0.00 PROT H ATOM 3316 HB3 ALA P 243 7.722 9.439 -5.517 1.00 0.00 PROT H ATOM 3317 C ALA P 243 10.499 8.685 -5.776 1.00 0.00 PROT C ATOM 3318 O ALA P 243 11.031 7.645 -5.308 1.00 0.00 PROT O ATOM 3319 N SER P 244 10.607 9.098 -7.026 1.00 0.00 PROT N ATOM 3320 HN SER P 244 10.216 9.964 -7.338 1.00 0.00 PROT H ATOM 3321 CA SER P 244 11.301 8.342 -8.071 1.00 0.00 PROT C ATOM 3322 HA SER P 244 10.594 7.580 -8.373 1.00 0.00 PROT H ATOM 3323 CB SER P 244 11.702 9.296 -9.204 1.00 0.00 PROT C ATOM 3324 HB1 SER P 244 12.796 9.184 -9.380 1.00 0.00 PROT H ATOM 3325 HB2 SER P 244 11.188 9.012 -10.150 1.00 0.00 PROT H ATOM 3326 OG SER P 244 11.417 10.634 -8.824 1.00 0.00 PROT O ATOM 3327 HG1 SER P 244 11.878 11.210 -9.447 1.00 0.00 PROT H ATOM 3328 C SER P 244 12.560 7.629 -7.596 1.00 0.00 PROT C ATOM 3329 O SER P 244 12.907 6.534 -8.093 1.00 0.00 PROT O ATOM 3330 N GLN P 245 13.231 8.266 -6.677 1.00 0.00 PROT N ATOM 3331 HN GLN P 245 12.916 9.139 -6.309 1.00 0.00 PROT H ATOM 3332 CA GLN P 245 14.503 7.776 -6.092 1.00 0.00 PROT C ATOM 3333 HA GLN P 245 15.206 7.550 -6.885 1.00 0.00 PROT H ATOM 3334 CB GLN P 245 15.095 8.883 -5.249 1.00 0.00 PROT C ATOM 3335 HB1 GLN P 245 14.304 9.660 -5.136 1.00 0.00 PROT H ATOM 3336 HB2 GLN P 245 15.300 8.497 -4.224 1.00 0.00 PROT H ATOM 3337 CG GLN P 245 16.347 9.653 -5.659 1.00 0.00 PROT C ATOM 3338 HG1 GLN P 245 17.134 8.953 -6.012 1.00 0.00 PROT H ATOM 3339 HG2 GLN P 245 16.122 10.357 -6.486 1.00 0.00 PROT H ATOM 3340 CD GLN P 245 17.040 10.470 -4.587 1.00 0.00 PROT C ATOM 3341 OE1 GLN P 245 17.346 11.660 -4.670 1.00 0.00 PROT O ATOM 3342 NE2 GLN P 245 17.359 9.927 -3.417 1.00 0.00 PROT N ATOM 3343 HE21 GLN P 245 17.809 10.519 -2.754 1.00 0.00 PROT H ATOM 3344 HE22 GLN P 245 17.160 8.968 -3.246 1.00 0.00 PROT H ATOM 3345 C GLN P 245 14.146 6.458 -5.404 1.00 0.00 PROT C ATOM 3346 O GLN P 245 14.768 5.413 -5.628 1.00 0.00 PROT O ATOM 3347 N VAL P 246 13.054 6.515 -4.641 1.00 0.00 PROT N ATOM 3348 HN VAL P 246 12.601 7.402 -4.605 1.00 0.00 PROT H ATOM 3349 CA VAL P 246 12.408 5.472 -3.840 1.00 0.00 PROT C ATOM 3350 HA VAL P 246 13.176 4.991 -3.248 1.00 0.00 PROT H ATOM 3351 CB VAL P 246 11.427 6.097 -2.818 1.00 0.00 PROT C ATOM 3352 HB VAL P 246 10.599 6.578 -3.395 1.00 0.00 PROT H ATOM 3353 CG1 VAL P 246 10.758 5.149 -1.833 1.00 0.00 PROT C ATOM 3354 HG11 VAL P 246 10.111 5.717 -1.130 1.00 0.00 PROT H ATOM 3355 HG12 VAL P 246 10.114 4.408 -2.350 1.00 0.00 PROT H ATOM 3356 HG13 VAL P 246 11.519 4.603 -1.235 1.00 0.00 PROT H ATOM 3357 CG2 VAL P 246 12.072 7.200 -1.954 1.00 0.00 PROT C ATOM 3358 HG21 VAL P 246 11.346 7.591 -1.210 1.00 0.00 PROT H ATOM 3359 HG22 VAL P 246 12.953 6.801 -1.406 1.00 0.00 PROT H ATOM 3360 HG23 VAL P 246 12.407 8.055 -2.578 1.00 0.00 PROT H ATOM 3361 C VAL P 246 11.792 4.410 -4.739 1.00 0.00 PROT C ATOM 3362 O VAL P 246 11.950 3.218 -4.472 1.00 0.00 PROT O ATOM 3363 N ARG P 247 11.120 4.783 -5.812 1.00 0.00 PROT N ATOM 3364 HN ARG P 247 11.015 5.757 -6.001 1.00 0.00 PROT H ATOM 3365 CA ARG P 247 10.504 3.857 -6.767 1.00 0.00 PROT C ATOM 3366 HA ARG P 247 9.831 3.224 -6.202 1.00 0.00 PROT H ATOM 3367 CB ARG P 247 9.739 4.642 -7.839 1.00 0.00 PROT C ATOM 3368 HB1 ARG P 247 9.070 5.350 -7.294 1.00 0.00 PROT H ATOM 3369 HB2 ARG P 247 10.450 5.275 -8.415 1.00 0.00 PROT H ATOM 3370 CG ARG P 247 8.869 3.842 -8.798 1.00 0.00 PROT C ATOM 3371 HG1 ARG P 247 9.532 3.291 -9.501 1.00 0.00 PROT H ATOM 3372 HG2 ARG P 247 8.324 3.058 -8.224 1.00 0.00 PROT H ATOM 3373 CD ARG P 247 7.867 4.728 -9.496 1.00 0.00 PROT C ATOM 3374 HD1 ARG P 247 7.299 5.314 -8.737 1.00 0.00 PROT H ATOM 3375 HD2 ARG P 247 8.367 5.439 -10.195 1.00 0.00 PROT H ATOM 3376 NE ARG P 247 6.963 3.931 -10.270 1.00 0.00 PROT N ATOM 3377 HE ARG P 247 7.012 2.950 -10.049 1.00 0.00 PROT H ATOM 3378 CZ ARG P 247 6.049 3.971 -11.201 1.00 0.00 PROT C ATOM 3379 NH1 ARG P 247 5.369 2.864 -11.597 1.00 0.00 PROT N ATOM 3380 HH11 ARG P 247 4.698 2.917 -12.324 1.00 0.00 PROT H ATOM 3381 HH12 ARG P 247 5.681 1.991 -11.215 1.00 0.00 PROT H ATOM 3382 NH2 ARG P 247 5.759 5.119 -11.788 1.00 0.00 PROT N ATOM 3383 HH21 ARG P 247 5.008 5.169 -12.431 1.00 0.00 PROT H ATOM 3384 HH22 ARG P 247 6.172 5.935 -11.405 1.00 0.00 PROT H ATOM 3385 C ARG P 247 11.500 2.918 -7.478 1.00 0.00 PROT C ATOM 3386 O ARG P 247 11.252 1.687 -7.574 1.00 0.00 PROT O ATOM 3387 N ASN P 248 12.544 3.502 -8.013 1.00 0.00 PROT N ATOM 3388 HN ASN P 248 12.613 4.493 -7.902 1.00 0.00 PROT H ATOM 3389 CA ASN P 248 13.648 2.896 -8.767 1.00 0.00 PROT C ATOM 3390 HA ASN P 248 13.214 2.513 -9.685 1.00 0.00 PROT H ATOM 3391 CB ASN P 248 14.734 3.918 -9.140 1.00 0.00 PROT C ATOM 3392 HB1 ASN P 248 14.321 4.579 -9.933 1.00 0.00 PROT H ATOM 3393 HB2 ASN P 248 14.977 4.558 -8.267 1.00 0.00 PROT H ATOM 3394 CG ASN P 248 16.068 3.552 -9.693 1.00 0.00 PROT C ATOM 3395 OD1 ASN P 248 16.748 4.200 -10.530 1.00 0.00 PROT O ATOM 3396 ND2 ASN P 248 16.686 2.434 -9.289 1.00 0.00 PROT N ATOM 3397 HD21 ASN P 248 17.581 2.239 -9.680 1.00 0.00 PROT H ATOM 3398 HD22 ASN P 248 16.263 1.851 -8.602 1.00 0.00 PROT H ATOM 3399 C ASN P 248 14.229 1.708 -7.998 1.00 0.00 PROT C ATOM 3400 O ASN P 248 14.490 0.665 -8.589 1.00 0.00 PROT O ATOM 3401 N ARG P 249 14.385 1.952 -6.721 1.00 0.00 PROT N ATOM 3402 HN ARG P 249 14.083 2.858 -6.432 1.00 0.00 PROT H ATOM 3403 CA ARG P 249 14.931 1.088 -5.691 1.00 0.00 PROT C ATOM 3404 HA ARG P 249 15.853 0.673 -6.081 1.00 0.00 PROT H ATOM 3405 CB ARG P 249 15.180 1.839 -4.373 1.00 0.00 PROT C ATOM 3406 HB1 ARG P 249 14.613 2.798 -4.445 1.00 0.00 PROT H ATOM 3407 HB2 ARG P 249 14.722 1.275 -3.531 1.00 0.00 PROT H ATOM 3408 CG ARG P 249 16.664 2.162 -4.089 1.00 0.00 PROT C ATOM 3409 HG1 ARG P 249 16.711 3.054 -3.427 1.00 0.00 PROT H ATOM 3410 HG2 ARG P 249 17.110 1.328 -3.500 1.00 0.00 PROT H ATOM 3411 CD ARG P 249 17.502 2.344 -5.273 1.00 0.00 PROT C ATOM 3412 HD1 ARG P 249 17.000 3.047 -5.977 1.00 0.00 PROT H ATOM 3413 HD2 ARG P 249 18.502 2.758 -5.006 1.00 0.00 PROT H ATOM 3414 NE ARG P 249 17.823 1.162 -6.051 1.00 0.00 PROT N ATOM 3415 HE ARG P 249 17.167 0.987 -6.794 1.00 0.00 PROT H ATOM 3416 CZ ARG P 249 18.856 0.331 -5.878 1.00 0.00 PROT C ATOM 3417 NH1 ARG P 249 19.683 0.224 -4.828 1.00 0.00 PROT N ATOM 3418 HH11 ARG P 249 20.432 -0.424 -4.840 1.00 0.00 PROT H ATOM 3419 HH12 ARG P 249 19.583 0.918 -4.112 1.00 0.00 PROT H ATOM 3420 NH2 ARG P 249 19.143 -0.411 -6.965 1.00 0.00 PROT N ATOM 3421 HH21 ARG P 249 19.834 -1.118 -6.912 1.00 0.00 PROT H ATOM 3422 HH22 ARG P 249 18.505 -0.363 -7.722 1.00 0.00 PROT H ATOM 3423 C ARG P 249 14.043 -0.088 -5.333 1.00 0.00 PROT C ATOM 3424 O ARG P 249 14.554 -1.158 -4.981 1.00 0.00 PROT O ATOM 3425 N LEU P 250 12.751 0.188 -5.396 1.00 0.00 PROT N ATOM 3426 HN LEU P 250 12.354 1.070 -5.641 1.00 0.00 PROT H ATOM 3427 CA LEU P 250 11.758 -0.860 -5.087 1.00 0.00 PROT C ATOM 3428 HA LEU P 250 12.096 -1.497 -4.279 1.00 0.00 PROT H ATOM 3429 CB LEU P 250 10.492 -0.145 -4.705 1.00 0.00 PROT C ATOM 3430 HB1 LEU P 250 10.657 0.941 -4.896 1.00 0.00 PROT H ATOM 3431 HB2 LEU P 250 9.677 -0.459 -5.395 1.00 0.00 PROT H ATOM 3432 CG LEU P 250 9.847 -0.161 -3.326 1.00 0.00 PROT C ATOM 3433 HG LEU P 250 8.932 -0.778 -3.500 1.00 0.00 PROT H ATOM 3434 CD1 LEU P 250 10.731 -0.825 -2.316 1.00 0.00 PROT C ATOM 3435 HD11 LEU P 250 10.268 -0.786 -1.307 1.00 0.00 PROT H ATOM 3436 HD12 LEU P 250 10.898 -1.891 -2.582 1.00 0.00 PROT H ATOM 3437 HD13 LEU P 250 11.718 -0.318 -2.264 1.00 0.00 PROT H ATOM 3438 CD2 LEU P 250 9.405 1.200 -2.804 1.00 0.00 PROT C ATOM 3439 HD21 LEU P 250 8.930 1.094 -1.805 1.00 0.00 PROT H ATOM 3440 HD22 LEU P 250 10.261 1.896 -2.698 1.00 0.00 PROT H ATOM 3441 HD23 LEU P 250 8.664 1.659 -3.494 1.00 0.00 PROT H ATOM 3442 C LEU P 250 11.813 -1.683 -6.379 1.00 0.00 PROT C ATOM 3443 O LEU P 250 11.963 -2.914 -6.442 1.00 0.00 PROT O ATOM 3444 N SER P 251 11.779 -0.901 -7.469 1.00 0.00 PROT N ATOM 3445 HN SER P 251 11.762 0.098 -7.423 1.00 0.00 PROT H ATOM 3446 CA SER P 251 11.763 -1.442 -8.837 1.00 0.00 PROT C ATOM 3447 HA SER P 251 10.853 -2.025 -8.888 1.00 0.00 PROT H ATOM 3448 CB SER P 251 11.618 -0.314 -9.861 1.00 0.00 PROT C ATOM 3449 HB1 SER P 251 10.800 -0.589 -10.566 1.00 0.00 PROT H ATOM 3450 HB2 SER P 251 11.311 0.630 -9.357 1.00 0.00 PROT H ATOM 3451 OG SER P 251 12.804 -0.124 -10.604 1.00 0.00 PROT O ATOM 3452 HG1 SER P 251 12.578 0.429 -11.362 1.00 0.00 PROT H ATOM 3453 C SER P 251 12.920 -2.379 -9.161 1.00 0.00 PROT C ATOM 3454 O SER P 251 12.946 -3.606 -9.006 1.00 0.00 PROT O ATOM 3455 N SER P 252 13.924 -1.669 -9.649 1.00 0.00 PROT N ATOM 3456 HN SER P 252 13.779 -0.682 -9.722 1.00 0.00 PROT H ATOM 3457 CA SER P 252 15.227 -2.113 -10.102 1.00 0.00 PROT C ATOM 3458 HA SER P 252 15.055 -3.003 -10.694 1.00 0.00 PROT H ATOM 3459 CB SER P 252 15.939 -0.961 -10.820 1.00 0.00 PROT C ATOM 3460 HB1 SER P 252 16.463 -0.346 -10.053 1.00 0.00 PROT H ATOM 3461 HB2 SER P 252 16.718 -1.357 -11.510 1.00 0.00 PROT H ATOM 3462 OG SER P 252 15.015 -0.129 -11.516 1.00 0.00 PROT O ATOM 3463 HG1 SER P 252 15.484 0.682 -11.750 1.00 0.00 PROT H ATOM 3464 C SER P 252 16.101 -2.517 -8.919 1.00 0.00 PROT C ATOM 3465 O SER P 252 17.006 -1.675 -8.763 1.00 0.00 PROT O ATOM 3466 N THR P 253 15.851 -3.613 -8.250 1.00 0.00 PROT N ATOM 3467 HN THR P 253 15.058 -4.139 -8.555 1.00 0.00 PROT H ATOM 3468 CA THR P 253 16.547 -4.189 -7.129 1.00 0.00 PROT C ATOM 3469 HA THR P 253 17.422 -4.668 -7.548 1.00 0.00 PROT H ATOM 3470 CB THR P 253 17.173 -3.309 -6.033 1.00 0.00 PROT C ATOM 3471 HB THR P 253 18.243 -3.622 -5.957 1.00 0.00 PROT H ATOM 3472 OG1 THR P 253 16.511 -3.622 -4.813 1.00 0.00 PROT O ATOM 3473 HG1 THR P 253 16.913 -3.051 -4.149 1.00 0.00 PROT H ATOM 3474 CG2 THR P 253 17.086 -1.805 -6.084 1.00 0.00 PROT C ATOM 3475 HG21 THR P 253 17.690 -1.346 -5.273 1.00 0.00 PROT H ATOM 3476 HG22 THR P 253 17.474 -1.427 -7.054 1.00 0.00 PROT H ATOM 3477 HG23 THR P 253 16.035 -1.461 -5.972 1.00 0.00 PROT H ATOM 3478 C THR P 253 15.728 -5.296 -6.444 1.00 0.00 PROT C ATOM 3479 O THR P 253 16.198 -5.851 -5.436 1.00 0.00 PROT O ATOM 3480 N ALA P 254 14.586 -5.692 -6.894 1.00 0.00 PROT N ATOM 3481 HN ALA P 254 14.351 -5.180 -7.720 1.00 0.00 PROT H ATOM 3482 CA ALA P 254 13.611 -6.679 -6.476 1.00 0.00 PROT C ATOM 3483 HA ALA P 254 13.532 -6.661 -5.395 1.00 0.00 PROT H ATOM 3484 CB ALA P 254 12.290 -6.370 -7.207 1.00 0.00 PROT C ATOM 3485 HB1 ALA P 254 11.944 -5.350 -6.936 1.00 0.00 PROT H ATOM 3486 HB2 ALA P 254 12.427 -6.403 -8.310 1.00 0.00 PROT H ATOM 3487 HB3 ALA P 254 11.490 -7.089 -6.928 1.00 0.00 PROT H ATOM 3488 C ALA P 254 13.959 -8.112 -6.857 1.00 0.00 PROT C ATOM 3489 O ALA P 254 14.996 -8.272 -7.517 1.00 0.00 PROT O ATOM 3490 N THR P 255 13.111 -9.083 -6.517 1.00 0.00 PROT N ATOM 3491 HN THR P 255 12.243 -8.967 -6.035 1.00 0.00 PROT H ATOM 3492 CA THR P 255 13.431 -10.479 -6.858 1.00 0.00 PROT C ATOM 3493 HA THR P 255 14.477 -10.459 -7.132 1.00 0.00 PROT H ATOM 3494 CB THR P 255 13.309 -11.416 -5.636 1.00 0.00 PROT C ATOM 3495 HB THR P 255 12.230 -11.407 -5.344 1.00 0.00 PROT H ATOM 3496 OG1 THR P 255 14.056 -10.908 -4.533 1.00 0.00 PROT O ATOM 3497 HG1 THR P 255 13.937 -11.550 -3.825 1.00 0.00 PROT H ATOM 3498 CG2 THR P 255 13.837 -12.812 -5.964 1.00 0.00 PROT C ATOM 3499 HG21 THR P 255 13.645 -13.514 -5.125 1.00 0.00 PROT H ATOM 3500 HG22 THR P 255 13.333 -13.214 -6.868 1.00 0.00 PROT H ATOM 3501 HG23 THR P 255 14.931 -12.791 -6.157 1.00 0.00 PROT H ATOM 3502 C THR P 255 12.678 -11.014 -8.065 1.00 0.00 PROT C ATOM 3503 O THR P 255 11.444 -11.025 -8.099 1.00 0.00 PROT O ATOM 3504 N TYR P 256 13.373 -11.474 -9.078 1.00 0.00 PROT N ATOM 3505 HN TYR P 256 14.368 -11.433 -9.008 1.00 0.00 PROT H ATOM 3506 CA TYR P 256 12.879 -12.049 -10.317 1.00 0.00 PROT C ATOM 3507 HA TYR P 256 12.259 -11.277 -10.757 1.00 0.00 PROT H ATOM 3508 CB TYR P 256 14.071 -12.519 -11.199 1.00 0.00 PROT C ATOM 3509 HB1 TYR P 256 14.846 -11.722 -11.219 1.00 0.00 PROT H ATOM 3510 HB2 TYR P 256 14.545 -13.427 -10.768 1.00 0.00 PROT H ATOM 3511 CG TYR P 256 13.545 -12.752 -12.607 1.00 0.00 PROT C ATOM 3512 CD1 TYR P 256 13.504 -13.993 -13.197 1.00 0.00 PROT C ATOM 3513 HD1 TYR P 256 13.918 -14.848 -12.680 1.00 0.00 PROT H ATOM 3514 CE1 TYR P 256 12.958 -14.174 -14.462 1.00 0.00 PROT C ATOM 3515 HE1 TYR P 256 12.908 -15.158 -14.903 1.00 0.00 PROT H ATOM 3516 CZ TYR P 256 12.479 -13.073 -15.166 1.00 0.00 PROT C ATOM 3517 OH TYR P 256 11.980 -13.219 -16.415 1.00 0.00 PROT O ATOM 3518 HH TYR P 256 11.642 -12.365 -16.692 1.00 0.00 PROT H ATOM 3519 CD2 TYR P 256 13.034 -11.693 -13.331 1.00 0.00 PROT C ATOM 3520 HD2 TYR P 256 13.076 -10.691 -12.926 1.00 0.00 PROT H ATOM 3521 CE2 TYR P 256 12.496 -11.834 -14.605 1.00 0.00 PROT C ATOM 3522 HE2 TYR P 256 12.125 -10.966 -15.129 1.00 0.00 PROT H ATOM 3523 C TYR P 256 12.002 -13.283 -10.138 1.00 0.00 PROT C ATOM 3524 O TYR P 256 12.475 -14.309 -9.609 1.00 0.00 PROT O ATOM 3525 N LEU P 257 10.757 -13.253 -10.569 1.00 0.00 PROT N ATOM 3526 HN LEU P 257 10.318 -12.474 -11.013 1.00 0.00 PROT H ATOM 3527 CA LEU P 257 9.889 -14.429 -10.415 1.00 0.00 PROT C ATOM 3528 HA LEU P 257 10.474 -15.158 -9.869 1.00 0.00 PROT H ATOM 3529 CB LEU P 257 8.734 -14.023 -9.522 1.00 0.00 PROT C ATOM 3530 HB1 LEU P 257 8.451 -12.982 -9.803 1.00 0.00 PROT H ATOM 3531 HB2 LEU P 257 7.852 -14.657 -9.761 1.00 0.00 PROT H ATOM 3532 CG LEU P 257 8.965 -14.040 -8.001 1.00 0.00 PROT C ATOM 3533 HG LEU P 257 9.740 -14.801 -7.743 1.00 0.00 PROT H ATOM 3534 CD1 LEU P 257 9.445 -12.654 -7.653 1.00 0.00 PROT C ATOM 3535 HD11 LEU P 257 9.594 -12.557 -6.556 1.00 0.00 PROT H ATOM 3536 HD12 LEU P 257 10.411 -12.436 -8.157 1.00 0.00 PROT H ATOM 3537 HD13 LEU P 257 8.704 -11.890 -7.971 1.00 0.00 PROT H ATOM 3538 CD2 LEU P 257 7.732 -14.338 -7.191 1.00 0.00 PROT C ATOM 3539 HD21 LEU P 257 7.977 -14.352 -6.107 1.00 0.00 PROT H ATOM 3540 HD22 LEU P 257 6.944 -13.574 -7.348 1.00 0.00 PROT H ATOM 3541 HD23 LEU P 257 7.316 -15.331 -7.467 1.00 0.00 PROT H ATOM 3542 C LEU P 257 9.495 -15.056 -11.736 1.00 0.00 PROT C ATOM 3543 O LEU P 257 9.072 -16.217 -11.743 1.00 0.00 PROT O ATOM 3544 N GLY P 258 9.587 -14.327 -12.823 1.00 0.00 PROT N ATOM 3545 HN GLY P 258 9.936 -13.402 -12.680 1.00 0.00 PROT H ATOM 3546 CA GLY P 258 9.255 -14.670 -14.201 1.00 0.00 PROT C ATOM 3547 HA1 GLY P 258 8.390 -15.318 -14.200 1.00 0.00 PROT H ATOM 3548 HA2 GLY P 258 10.127 -15.094 -14.680 1.00 0.00 PROT H ATOM 3549 C GLY P 258 8.884 -13.385 -14.948 1.00 0.00 PROT C ATOM 3550 O GLY P 258 8.970 -12.268 -14.416 1.00 0.00 PROT O ATOM 3551 N SER P 259 8.434 -13.555 -16.172 1.00 0.00 PROT N ATOM 3552 HN SER P 259 8.377 -14.476 -16.558 1.00 0.00 PROT H ATOM 3553 CA SER P 259 7.987 -12.502 -17.073 1.00 0.00 PROT C ATOM 3554 HA SER P 259 8.898 -12.141 -17.533 1.00 0.00 PROT H ATOM 3555 CB SER P 259 6.969 -13.018 -18.109 1.00 0.00 PROT C ATOM 3556 HB1 SER P 259 7.352 -13.980 -18.521 1.00 0.00 PROT H ATOM 3557 HB2 SER P 259 5.994 -13.237 -17.618 1.00 0.00 PROT H ATOM 3558 OG SER P 259 6.877 -12.025 -19.140 1.00 0.00 PROT O ATOM 3559 HG1 SER P 259 6.423 -12.434 -19.888 1.00 0.00 PROT H ATOM 3560 C SER P 259 7.313 -11.303 -16.395 1.00 0.00 PROT C ATOM 3561 O SER P 259 6.570 -11.466 -15.424 1.00 0.00 PROT O ATOM 3562 N SER P 260 7.584 -10.154 -16.988 1.00 0.00 PROT N ATOM 3563 HN SER P 260 8.171 -10.138 -17.797 1.00 0.00 PROT H ATOM 3564 CA SER P 260 7.096 -8.830 -16.572 1.00 0.00 PROT C ATOM 3565 HA SER P 260 7.403 -8.714 -15.541 1.00 0.00 PROT H ATOM 3566 CB SER P 260 7.796 -7.698 -17.301 1.00 0.00 PROT C ATOM 3567 HB1 SER P 260 7.838 -6.820 -16.617 1.00 0.00 PROT H ATOM 3568 HB2 SER P 260 8.847 -7.980 -17.536 1.00 0.00 PROT H ATOM 3569 OG SER P 260 7.322 -7.130 -18.494 1.00 0.00 PROT O ATOM 3570 HG1 SER P 260 7.806 -6.305 -18.627 1.00 0.00 PROT H ATOM 3571 C SER P 260 5.578 -8.751 -16.604 1.00 0.00 PROT C ATOM 3572 O SER P 260 4.966 -8.195 -15.684 1.00 0.00 PROT O ATOM 3573 N PHE P 261 4.983 -9.321 -17.626 1.00 0.00 PROT N ATOM 3574 HN PHE P 261 5.536 -9.758 -18.333 1.00 0.00 PROT H ATOM 3575 CA PHE P 261 3.546 -9.391 -17.855 1.00 0.00 PROT C ATOM 3576 HA PHE P 261 3.213 -8.378 -18.047 1.00 0.00 PROT H ATOM 3577 CB PHE P 261 3.150 -10.371 -18.996 1.00 0.00 PROT C ATOM 3578 HB1 PHE P 261 3.849 -10.237 -19.850 1.00 0.00 PROT H ATOM 3579 HB2 PHE P 261 3.238 -11.428 -18.664 1.00 0.00 PROT H ATOM 3580 CG PHE P 261 1.779 -10.160 -19.563 1.00 0.00 PROT C ATOM 3581 CD1 PHE P 261 1.572 -9.251 -20.585 1.00 0.00 PROT C ATOM 3582 HD1 PHE P 261 2.408 -8.689 -20.978 1.00 0.00 PROT H ATOM 3583 CE1 PHE P 261 0.315 -9.019 -21.135 1.00 0.00 PROT C ATOM 3584 HE1 PHE P 261 0.201 -8.313 -21.945 1.00 0.00 PROT H ATOM 3585 CZ PHE P 261 -0.780 -9.712 -20.631 1.00 0.00 PROT C ATOM 3586 HZ PHE P 261 -1.764 -9.526 -21.038 1.00 0.00 PROT H ATOM 3587 CD2 PHE P 261 0.680 -10.857 -19.088 1.00 0.00 PROT C ATOM 3588 HD2 PHE P 261 0.797 -11.566 -18.280 1.00 0.00 PROT H ATOM 3589 CE2 PHE P 261 -0.612 -10.653 -19.610 1.00 0.00 PROT C ATOM 3590 HE2 PHE P 261 -1.446 -11.218 -19.219 1.00 0.00 PROT H ATOM 3591 C PHE P 261 2.827 -9.868 -16.586 1.00 0.00 PROT C ATOM 3592 O PHE P 261 1.842 -9.205 -16.202 1.00 0.00 PROT O ATOM 3593 N TYR P 262 3.322 -10.995 -16.064 1.00 0.00 PROT N ATOM 3594 HN TYR P 262 4.105 -11.504 -16.418 1.00 0.00 PROT H ATOM 3595 CA TYR P 262 2.702 -11.583 -14.865 1.00 0.00 PROT C ATOM 3596 HA TYR P 262 1.676 -11.236 -14.896 1.00 0.00 PROT H ATOM 3597 CB TYR P 262 2.719 -13.150 -14.907 1.00 0.00 PROT C ATOM 3598 HB1 TYR P 262 3.773 -13.503 -14.918 1.00 0.00 PROT H ATOM 3599 HB2 TYR P 262 2.240 -13.573 -13.997 1.00 0.00 PROT H ATOM 3600 CG TYR P 262 2.029 -13.598 -16.176 1.00 0.00 PROT C ATOM 3601 CD1 TYR P 262 2.646 -13.681 -17.419 1.00 0.00 PROT C ATOM 3602 HD1 TYR P 262 3.690 -13.419 -17.519 1.00 0.00 PROT H ATOM 3603 CE1 TYR P 262 1.940 -14.077 -18.559 1.00 0.00 PROT C ATOM 3604 HE1 TYR P 262 2.436 -14.145 -19.516 1.00 0.00 PROT H ATOM 3605 CZ TYR P 262 0.593 -14.376 -18.458 1.00 0.00 PROT C ATOM 3606 OH TYR P 262 -0.227 -14.748 -19.493 1.00 0.00 PROT O ATOM 3607 HH TYR P 262 -1.085 -14.960 -19.119 1.00 0.00 PROT H ATOM 3608 CD2 TYR P 262 0.678 -13.902 -16.109 1.00 0.00 PROT C ATOM 3609 HD2 TYR P 262 0.147 -13.798 -15.173 1.00 0.00 PROT H ATOM 3610 CE2 TYR P 262 -0.028 -14.291 -17.224 1.00 0.00 PROT C ATOM 3611 HE2 TYR P 262 -1.082 -14.512 -17.141 1.00 0.00 PROT H ATOM 3612 C TYR P 262 3.281 -11.147 -13.533 1.00 0.00 PROT C ATOM 3613 O TYR P 262 2.464 -11.083 -12.591 1.00 0.00 PROT O ATOM 3614 N TYR P 263 4.571 -10.931 -13.440 1.00 0.00 PROT N ATOM 3615 HN TYR P 263 5.197 -10.991 -14.216 1.00 0.00 PROT H ATOM 3616 CA TYR P 263 5.201 -10.583 -12.184 1.00 0.00 PROT C ATOM 3617 HA TYR P 263 4.398 -10.583 -11.457 1.00 0.00 PROT H ATOM 3618 CB TYR P 263 6.225 -11.662 -11.736 1.00 0.00 PROT C ATOM 3619 HB1 TYR P 263 7.131 -11.593 -12.377 1.00 0.00 PROT H ATOM 3620 HB2 TYR P 263 6.550 -11.484 -10.688 1.00 0.00 PROT H ATOM 3621 CG TYR P 263 5.832 -13.105 -11.816 1.00 0.00 PROT C ATOM 3622 CD1 TYR P 263 5.499 -13.793 -10.633 1.00 0.00 PROT C ATOM 3623 HD1 TYR P 263 5.561 -13.285 -9.680 1.00 0.00 PROT H ATOM 3624 CE1 TYR P 263 5.111 -15.116 -10.633 1.00 0.00 PROT C ATOM 3625 HE1 TYR P 263 4.874 -15.619 -9.707 1.00 0.00 PROT H ATOM 3626 CZ TYR P 263 5.034 -15.809 -11.851 1.00 0.00 PROT C ATOM 3627 OH TYR P 263 4.615 -17.133 -11.827 1.00 0.00 PROT O ATOM 3628 HH TYR P 263 4.550 -17.431 -12.737 1.00 0.00 PROT H ATOM 3629 CD2 TYR P 263 5.744 -13.843 -12.996 1.00 0.00 PROT C ATOM 3630 HD2 TYR P 263 6.018 -13.390 -13.939 1.00 0.00 PROT H ATOM 3631 CE2 TYR P 263 5.359 -15.183 -13.032 1.00 0.00 PROT C ATOM 3632 HE2 TYR P 263 5.342 -15.711 -13.974 1.00 0.00 PROT H ATOM 3633 C TYR P 263 5.833 -9.195 -12.156 1.00 0.00 PROT C ATOM 3634 O TYR P 263 6.320 -8.874 -11.034 1.00 0.00 PROT O ATOM 3635 N GLY P 264 5.829 -8.429 -13.240 1.00 0.00 PROT N ATOM 3636 HN GLY P 264 5.442 -8.639 -14.137 1.00 0.00 PROT H ATOM 3637 CA GLY P 264 6.486 -7.074 -13.113 1.00 0.00 PROT C ATOM 3638 HA1 GLY P 264 6.105 -6.557 -12.243 1.00 0.00 PROT H ATOM 3639 HA2 GLY P 264 6.387 -6.521 -14.037 1.00 0.00 PROT H ATOM 3640 C GLY P 264 7.987 -7.352 -12.884 1.00 0.00 PROT C ATOM 3641 O GLY P 264 8.573 -8.286 -13.470 1.00 0.00 PROT O ATOM 3642 N LYS P 265 8.618 -6.570 -12.029 1.00 0.00 PROT N ATOM 3643 HN LYS P 265 8.179 -5.826 -11.527 1.00 0.00 PROT H ATOM 3644 CA LYS P 265 10.077 -6.753 -11.747 1.00 0.00 PROT C ATOM 3645 HA LYS P 265 10.555 -7.128 -12.644 1.00 0.00 PROT H ATOM 3646 CB LYS P 265 10.750 -5.418 -11.509 1.00 0.00 PROT C ATOM 3647 HB1 LYS P 265 10.104 -4.847 -10.803 1.00 0.00 PROT H ATOM 3648 HB2 LYS P 265 11.716 -5.588 -10.982 1.00 0.00 PROT H ATOM 3649 CG LYS P 265 10.931 -4.639 -12.820 1.00 0.00 PROT C ATOM 3650 HG1 LYS P 265 10.898 -5.352 -13.675 1.00 0.00 PROT H ATOM 3651 HG2 LYS P 265 10.078 -3.933 -12.943 1.00 0.00 PROT H ATOM 3652 CD LYS P 265 12.227 -3.866 -12.915 1.00 0.00 PROT C ATOM 3653 HD1 LYS P 265 12.523 -3.548 -11.889 1.00 0.00 PROT H ATOM 3654 HD2 LYS P 265 13.016 -4.557 -13.291 1.00 0.00 PROT H ATOM 3655 CE LYS P 265 11.989 -2.687 -13.856 1.00 0.00 PROT C ATOM 3656 HE1 LYS P 265 11.066 -2.848 -14.457 1.00 0.00 PROT H ATOM 3657 HE2 LYS P 265 11.873 -1.743 -13.279 1.00 0.00 PROT H ATOM 3658 NZ LYS P 265 13.069 -2.421 -14.846 1.00 0.00 PROT N ATOM 3659 HZ1 LYS P 265 12.815 -1.605 -15.439 1.00 0.00 PROT H ATOM 3660 HZ2 LYS P 265 13.958 -2.221 -14.345 1.00 0.00 PROT H ATOM 3661 HZ3 LYS P 265 13.198 -3.258 -15.450 1.00 0.00 PROT H ATOM 3662 C LYS P 265 10.224 -7.814 -10.681 1.00 0.00 PROT C ATOM 3663 O LYS P 265 11.293 -8.375 -10.393 1.00 0.00 PROT O ATOM 3664 N GLY P 266 9.055 -8.194 -10.144 1.00 0.00 PROT N ATOM 3665 HN GLY P 266 8.185 -7.764 -10.381 1.00 0.00 PROT H ATOM 3666 CA GLY P 266 8.979 -9.273 -9.167 1.00 0.00 PROT C ATOM 3667 HA1 GLY P 266 9.938 -9.771 -9.218 1.00 0.00 PROT H ATOM 3668 HA2 GLY P 266 8.143 -9.886 -9.478 1.00 0.00 PROT H ATOM 3669 C GLY P 266 8.742 -8.854 -7.723 1.00 0.00 PROT C ATOM 3670 O GLY P 266 8.114 -7.826 -7.423 1.00 0.00 PROT O ATOM 3671 N LEU P 267 9.235 -9.739 -6.855 1.00 0.00 PROT N ATOM 3672 HN LEU P 267 9.737 -10.567 -7.098 1.00 0.00 PROT H ATOM 3673 CA LEU P 267 9.063 -9.543 -5.422 1.00 0.00 PROT C ATOM 3674 HA LEU P 267 8.066 -9.143 -5.290 1.00 0.00 PROT H ATOM 3675 CB LEU P 267 9.073 -10.889 -4.755 1.00 0.00 PROT C ATOM 3676 HB1 LEU P 267 8.223 -11.472 -5.179 1.00 0.00 PROT H ATOM 3677 HB2 LEU P 267 9.997 -11.433 -5.051 1.00 0.00 PROT H ATOM 3678 CG LEU P 267 8.945 -11.009 -3.250 1.00 0.00 PROT C ATOM 3679 HG LEU P 267 9.665 -10.283 -2.800 1.00 0.00 PROT H ATOM 3680 CD1 LEU P 267 7.558 -10.681 -2.762 1.00 0.00 PROT C ATOM 3681 HD11 LEU P 267 7.487 -10.825 -1.663 1.00 0.00 PROT H ATOM 3682 HD12 LEU P 267 7.302 -9.625 -2.993 1.00 0.00 PROT H ATOM 3683 HD13 LEU P 267 6.806 -11.339 -3.247 1.00 0.00 PROT H ATOM 3684 CD2 LEU P 267 9.385 -12.422 -2.852 1.00 0.00 PROT C ATOM 3685 HD21 LEU P 267 9.325 -12.549 -1.749 1.00 0.00 PROT H ATOM 3686 HD22 LEU P 267 8.742 -13.197 -3.316 1.00 0.00 PROT H ATOM 3687 HD23 LEU P 267 10.435 -12.605 -3.166 1.00 0.00 PROT H ATOM 3688 C LEU P 267 10.043 -8.528 -4.855 1.00 0.00 PROT C ATOM 3689 O LEU P 267 11.271 -8.474 -5.067 1.00 0.00 PROT O ATOM 3690 N ILE P 268 9.405 -7.637 -4.094 1.00 0.00 PROT N ATOM 3691 HN ILE P 268 8.423 -7.626 -3.917 1.00 0.00 PROT H ATOM 3692 CA ILE P 268 10.142 -6.565 -3.438 1.00 0.00 PROT C ATOM 3693 HA ILE P 268 10.841 -6.164 -4.161 1.00 0.00 PROT H ATOM 3694 CB ILE P 268 9.225 -5.517 -2.840 1.00 0.00 PROT C ATOM 3695 HB ILE P 268 9.876 -4.948 -2.130 1.00 0.00 PROT H ATOM 3696 CG2 ILE P 268 8.668 -4.623 -3.932 1.00 0.00 PROT C ATOM 3697 HG21 ILE P 268 8.123 -3.762 -3.492 1.00 0.00 PROT H ATOM 3698 HG22 ILE P 268 9.484 -4.217 -4.566 1.00 0.00 PROT H ATOM 3699 HG23 ILE P 268 7.963 -5.183 -4.583 1.00 0.00 PROT H ATOM 3700 CG1 ILE P 268 8.158 -6.222 -2.020 1.00 0.00 PROT C ATOM 3701 HG11 ILE P 268 7.319 -6.534 -2.682 1.00 0.00 PROT H ATOM 3702 HG12 ILE P 268 8.594 -7.149 -1.582 1.00 0.00 PROT H ATOM 3703 CD ILE P 268 7.552 -5.431 -0.855 1.00 0.00 PROT C ATOM 3704 HD1 ILE P 268 6.829 -6.063 -0.294 1.00 0.00 PROT H ATOM 3705 HD2 ILE P 268 8.346 -5.101 -0.150 1.00 0.00 PROT H ATOM 3706 HD3 ILE P 268 7.011 -4.533 -1.222 1.00 0.00 PROT H ATOM 3707 C ILE P 268 10.976 -7.164 -2.299 1.00 0.00 PROT C ATOM 3708 O ILE P 268 10.592 -8.081 -1.579 1.00 0.00 PROT O ATOM 3709 N ASN P 269 12.120 -6.577 -2.191 1.00 0.00 PROT N ATOM 3710 HN ASN P 269 12.257 -5.881 -2.894 1.00 0.00 PROT H ATOM 3711 CA ASN P 269 13.228 -6.724 -1.268 1.00 0.00 PROT C ATOM 3712 HA ASN P 269 12.910 -7.336 -0.431 1.00 0.00 PROT H ATOM 3713 CB ASN P 269 14.527 -7.317 -1.828 1.00 0.00 PROT C ATOM 3714 HB1 ASN P 269 14.253 -8.123 -2.543 1.00 0.00 PROT H ATOM 3715 HB2 ASN P 269 15.089 -6.547 -2.395 1.00 0.00 PROT H ATOM 3716 CG ASN P 269 15.320 -7.890 -0.667 1.00 0.00 PROT C ATOM 3717 OD1 ASN P 269 14.929 -7.662 0.481 1.00 0.00 PROT O ATOM 3718 ND2 ASN P 269 16.364 -8.656 -0.896 1.00 0.00 PROT N ATOM 3719 HD21 ASN P 269 16.848 -9.019 -0.104 1.00 0.00 PROT H ATOM 3720 HD22 ASN P 269 16.625 -8.876 -1.831 1.00 0.00 PROT H ATOM 3721 C ASN P 269 13.469 -5.283 -0.733 1.00 0.00 PROT C ATOM 3722 O ASN P 269 13.940 -4.430 -1.495 1.00 0.00 PROT O ATOM 3723 N VAL P 270 13.062 -5.092 0.474 1.00 0.00 PROT N ATOM 3724 HN VAL P 270 12.657 -5.881 0.930 1.00 0.00 PROT H ATOM 3725 CA VAL P 270 13.103 -3.895 1.278 1.00 0.00 PROT C ATOM 3726 HA VAL P 270 12.793 -3.075 0.642 1.00 0.00 PROT H ATOM 3727 CB VAL P 270 12.170 -4.194 2.473 1.00 0.00 PROT C ATOM 3728 HB VAL P 270 12.335 -5.258 2.772 1.00 0.00 PROT H ATOM 3729 CG1 VAL P 270 12.440 -3.326 3.685 1.00 0.00 PROT C ATOM 3730 HG11 VAL P 270 11.716 -3.559 4.495 1.00 0.00 PROT H ATOM 3731 HG12 VAL P 270 13.458 -3.497 4.093 1.00 0.00 PROT H ATOM 3732 HG13 VAL P 270 12.335 -2.250 3.429 1.00 0.00 PROT H ATOM 3733 CG2 VAL P 270 10.707 -4.162 2.119 1.00 0.00 PROT C ATOM 3734 HG21 VAL P 270 10.081 -4.343 3.019 1.00 0.00 PROT H ATOM 3735 HG22 VAL P 270 10.430 -3.173 1.693 1.00 0.00 PROT H ATOM 3736 HG23 VAL P 270 10.457 -4.945 1.373 1.00 0.00 PROT H ATOM 3737 C VAL P 270 14.524 -3.584 1.772 1.00 0.00 PROT C ATOM 3738 O VAL P 270 14.904 -2.392 1.804 1.00 0.00 PROT O ATOM 3739 N GLU P 271 15.226 -4.618 2.189 1.00 0.00 PROT N ATOM 3740 HN GLU P 271 14.825 -5.529 2.157 1.00 0.00 PROT H ATOM 3741 CA GLU P 271 16.590 -4.587 2.719 1.00 0.00 PROT C ATOM 3742 HA GLU P 271 16.644 -3.886 3.542 1.00 0.00 PROT H ATOM 3743 CB GLU P 271 17.024 -5.957 3.217 1.00 0.00 PROT C ATOM 3744 HB1 GLU P 271 16.217 -6.360 3.871 1.00 0.00 PROT H ATOM 3745 HB2 GLU P 271 17.103 -6.663 2.360 1.00 0.00 PROT H ATOM 3746 CG GLU P 271 18.297 -6.109 4.005 1.00 0.00 PROT C ATOM 3747 HG1 GLU P 271 19.165 -5.953 3.338 1.00 0.00 PROT H ATOM 3748 HG2 GLU P 271 18.339 -5.377 4.836 1.00 0.00 PROT H ATOM 3749 CD GLU P 271 18.618 -7.426 4.642 1.00 0.00 PROT C ATOM 3750 OE1 GLU P 271 17.767 -8.208 5.060 1.00 0.00 PROT O ATOM 3751 OE2 GLU P 271 19.919 -7.656 4.750 1.00 0.00 PROT O ATOM 3752 C GLU P 271 17.514 -4.066 1.618 1.00 0.00 PROT C ATOM 3753 O GLU P 271 18.064 -2.952 1.714 1.00 0.00 PROT O ATOM 3754 N ALA P 272 17.610 -4.841 0.558 1.00 0.00 PROT N ATOM 3755 HN ALA P 272 17.167 -5.736 0.514 1.00 0.00 PROT H ATOM 3756 CA ALA P 272 18.373 -4.454 -0.640 1.00 0.00 PROT C ATOM 3757 HA ALA P 272 19.438 -4.398 -0.444 1.00 0.00 PROT H ATOM 3758 CB ALA P 272 18.133 -5.469 -1.739 1.00 0.00 PROT C ATOM 3759 HB1 ALA P 272 18.511 -6.463 -1.418 1.00 0.00 PROT H ATOM 3760 HB2 ALA P 272 17.048 -5.571 -1.958 1.00 0.00 PROT H ATOM 3761 HB3 ALA P 272 18.659 -5.189 -2.677 1.00 0.00 PROT H ATOM 3762 C ALA P 272 17.934 -3.044 -1.046 1.00 0.00 PROT C ATOM 3763 O ALA P 272 18.741 -2.102 -1.167 1.00 0.00 PROT O ATOM 3764 N ALA P 273 16.640 -2.827 -1.270 1.00 0.00 PROT N ATOM 3765 HN ALA P 273 15.929 -3.526 -1.197 1.00 0.00 PROT H ATOM 3766 CA ALA P 273 16.170 -1.483 -1.654 1.00 0.00 PROT C ATOM 3767 HA ALA P 273 16.630 -1.151 -2.578 1.00 0.00 PROT H ATOM 3768 CB ALA P 273 14.663 -1.395 -1.811 1.00 0.00 PROT C ATOM 3769 HB1 ALA P 273 14.332 -2.080 -2.621 1.00 0.00 PROT H ATOM 3770 HB2 ALA P 273 14.146 -1.698 -0.875 1.00 0.00 PROT H ATOM 3771 HB3 ALA P 273 14.339 -0.366 -2.078 1.00 0.00 PROT H ATOM 3772 C ALA P 273 16.584 -0.476 -0.580 1.00 0.00 PROT C ATOM 3773 O ALA P 273 16.942 0.681 -0.894 1.00 0.00 PROT O ATOM 3774 N ALA P 274 16.467 -0.977 0.643 1.00 0.00 PROT N ATOM 3775 HN ALA P 274 16.182 -1.912 0.850 1.00 0.00 PROT H ATOM 3776 CA ALA P 274 16.770 -0.125 1.824 1.00 0.00 PROT C ATOM 3777 HA ALA P 274 15.980 0.593 2.013 1.00 0.00 PROT H ATOM 3778 CB ALA P 274 16.797 -0.991 3.058 1.00 0.00 PROT C ATOM 3779 HB1 ALA P 274 15.812 -1.490 3.185 1.00 0.00 PROT H ATOM 3780 HB2 ALA P 274 17.573 -1.783 2.973 1.00 0.00 PROT H ATOM 3781 HB3 ALA P 274 17.000 -0.394 3.973 1.00 0.00 PROT H ATOM 3782 C ALA P 274 18.023 0.683 1.537 1.00 0.00 PROT C ATOM 3783 O ALA P 274 17.871 1.870 1.271 1.00 0.00 PROT O ATOM 3784 C GLN P 275 21.512 -0.363 2.076 1.00 0.00 PROT C ATOM 3785 OT1 GLN P 275 20.983 -1.021 2.613 1.00 0.00 PROT O ATOM 3786 OT2 GLN P 275 22.451 -0.083 1.876 1.00 0.00 PROT O ATOM 3787 N GLN P 275 19.190 0.115 1.577 1.00 0.00 PROT N ATOM 3788 HN GLN P 275 19.115 -0.829 1.893 1.00 0.00 PROT H ATOM 3789 CA GLN P 275 20.534 0.537 1.273 1.00 0.00 PROT C ATOM 3790 HA GLN P 275 20.718 0.361 0.220 1.00 0.00 PROT H ATOM 3791 CB GLN P 275 21.023 1.969 1.332 1.00 0.00 PROT C ATOM 3792 HB1 GLN P 275 20.214 2.566 1.813 1.00 0.00 PROT H ATOM 3793 HB2 GLN P 275 21.902 2.031 2.014 1.00 0.00 PROT H ATOM 3794 CG GLN P 275 21.339 2.527 -0.042 1.00 0.00 PROT C ATOM 3795 HG1 GLN P 275 22.049 1.861 -0.577 1.00 0.00 PROT H ATOM 3796 HG2 GLN P 275 20.418 2.605 -0.656 1.00 0.00 PROT H ATOM 3797 CD GLN P 275 21.998 3.879 -0.149 1.00 0.00 PROT C ATOM 3798 OE1 GLN P 275 21.691 4.969 0.353 1.00 0.00 PROT O ATOM 3799 NE2 GLN P 275 23.073 3.837 -0.944 1.00 0.00 PROT N ATOM 3800 HE21 GLN P 275 23.574 4.689 -1.069 1.00 0.00 PROT H ATOM 3801 HE22 GLN P 275 23.326 2.985 -1.390 1.00 0.00 PROT H ATOM 3802 OH2 TIP3A 1 -46.257 -8.067 -29.842 1.00 0.00 WATA O ATOM 3803 H1 TIP3A 1 -47.038 -8.181 -30.456 1.00 0.00 WATA H ATOM 3804 H2 TIP3A 1 -45.958 -8.962 -29.512 1.00 0.00 WATA H ATOM 3805 OH2 TIP3A 2 27.313 -43.609 -15.905 1.00 0.00 WATA O ATOM 3806 H1 TIP3A 2 28.059 -43.239 -16.459 1.00 0.00 WATA H ATOM 3807 H2 TIP3A 2 26.453 -43.174 -16.170 1.00 0.00 WATA H ATOM 3808 OH2 TIP3A 3 12.207 40.719 -33.128 1.00 0.00 WATA O ATOM 3809 H1 TIP3A 3 11.886 41.639 -32.902 1.00 0.00 WATA H ATOM 3810 H2 TIP3A 3 12.925 40.449 -32.488 1.00 0.00 WATA H ATOM 3811 OH2 TIP3A 4 -32.589 -2.933 -49.365 1.00 0.00 WATA O ATOM 3812 H1 TIP3A 4 -32.896 -3.651 -49.991 1.00 0.00 WATA H ATOM 3813 H2 TIP3A 4 -31.591 -2.901 -49.358 1.00 0.00 WATA H ATOM 3814 OH2 TIP3A 5 29.469 12.731 43.066 1.00 0.00 WATA O ATOM 3815 H1 TIP3A 5 28.706 13.375 43.108 1.00 0.00 WATA H ATOM 3816 H2 TIP3A 5 30.330 13.237 43.012 1.00 0.00 WATA H ATOM 3817 OH2 TIP3A 6 -28.422 -48.415 -40.177 1.00 0.00 WATA O ATOM 3818 H1 TIP3A 6 -29.135 -49.078 -40.407 1.00 0.00 WATA H ATOM 3819 H2 TIP3A 6 -28.829 -47.506 -40.087 1.00 0.00 WATA H ATOM 3820 OH2 TIP3A 7 -34.550 12.279 -14.119 1.00 0.00 WATA O ATOM 3821 H1 TIP3A 7 -33.818 12.149 -14.787 1.00 0.00 WATA H ATOM 3822 H2 TIP3A 7 -34.388 13.121 -13.605 1.00 0.00 WATA H ATOM 3823 OH2 TIP3A 8 -50.209 -48.504 -49.365 1.00 0.00 WATA O ATOM 3824 H1 TIP3A 8 -50.813 -47.730 -49.557 1.00 0.00 WATA H ATOM 3825 H2 TIP3A 8 -50.298 -49.185 -50.091 1.00 0.00 WATA H ATOM 3826 OH2 TIP3A 9 14.869 8.346 -21.863 1.00 0.00 WATA O ATOM 3827 H1 TIP3A 9 14.550 8.878 -22.648 1.00 0.00 WATA H ATOM 3828 H2 TIP3A 9 14.150 7.715 -21.573 1.00 0.00 WATA H ATOM 3829 OH2 TIP3A 10 18.267 -23.241 -26.040 1.00 0.00 WATA O ATOM 3830 H1 TIP3A 10 18.873 -23.687 -26.699 1.00 0.00 WATA H ATOM 3831 H2 TIP3A 10 17.363 -23.665 -26.079 1.00 0.00 WATA H ATOM 3832 OH2 TIP3A 11 4.074 -47.337 53.345 1.00 0.00 WATA O ATOM 3833 H1 TIP3A 11 4.527 -47.848 52.614 1.00 0.00 WATA H ATOM 3834 H2 TIP3A 11 3.604 -46.545 52.957 1.00 0.00 WATA H ATOM 3835 OH2 TIP3A 12 44.992 14.667 38.192 1.00 0.00 WATA O ATOM 3836 H1 TIP3A 12 44.015 14.587 37.992 1.00 0.00 WATA H ATOM 3837 H2 TIP3A 12 45.244 14.000 38.893 1.00 0.00 WATA H ATOM 3838 OH2 TIP3A 13 5.757 -49.471 46.459 1.00 0.00 WATA O ATOM 3839 H1 TIP3A 13 5.868 -48.731 45.794 1.00 0.00 WATA H ATOM 3840 H2 TIP3A 13 4.925 -49.984 46.251 1.00 0.00 WATA H ATOM 3841 OH2 TIP3A 14 -49.923 -41.618 43.512 1.00 0.00 WATA O ATOM 3842 H1 TIP3A 14 -50.347 -41.528 44.414 1.00 0.00 WATA H ATOM 3843 H2 TIP3A 14 -49.199 -40.936 43.415 1.00 0.00 WATA H ATOM 3844 OH2 TIP3A 15 25.498 -24.806 0.468 1.00 0.00 WATA O ATOM 3845 H1 TIP3A 15 25.300 -25.266 -0.398 1.00 0.00 WATA H ATOM 3846 H2 TIP3A 15 24.749 -24.966 1.109 1.00 0.00 WATA H ATOM 3847 OH2 TIP3A 16 29.845 -28.354 49.765 1.00 0.00 WATA O ATOM 3848 H1 TIP3A 16 28.946 -28.792 49.767 1.00 0.00 WATA H ATOM 3849 H2 TIP3A 16 30.557 -29.054 49.744 1.00 0.00 WATA H ATOM 3850 OH2 TIP3A 17 31.634 -37.948 -17.517 1.00 0.00 WATA O ATOM 3851 H1 TIP3A 17 32.263 -38.411 -16.893 1.00 0.00 WATA H ATOM 3852 H2 TIP3A 17 32.142 -37.598 -18.304 1.00 0.00 WATA H ATOM 3853 OH2 TIP3A 18 49.298 -29.971 47.802 1.00 0.00 WATA O ATOM 3854 H1 TIP3A 18 48.342 -30.204 47.980 1.00 0.00 WATA H ATOM 3855 H2 TIP3A 18 49.536 -29.137 48.299 1.00 0.00 WATA H ATOM 3856 OH2 TIP3A 19 -13.062 22.117 47.295 1.00 0.00 WATA O ATOM 3857 H1 TIP3A 19 -13.314 23.010 46.922 1.00 0.00 WATA H ATOM 3858 H2 TIP3A 19 -12.086 22.108 47.508 1.00 0.00 WATA H ATOM 3859 OH2 TIP3A 20 27.293 -25.414 -43.616 1.00 0.00 WATA O ATOM 3860 H1 TIP3A 20 26.917 -26.273 -43.268 1.00 0.00 WATA H ATOM 3861 H2 TIP3A 20 27.538 -25.522 -44.579 1.00 0.00 WATA H ATOM 3862 OH2 TIP3A 21 8.837 51.444 -23.480 1.00 0.00 WATA O ATOM 3863 H1 TIP3A 21 9.468 50.672 -23.559 1.00 0.00 WATA H ATOM 3864 H2 TIP3A 21 9.249 52.154 -22.909 1.00 0.00 WATA H ATOM 3865 OH2 TIP3A 22 53.247 -53.074 -11.274 1.00 0.00 WATA O ATOM 3866 H1 TIP3A 22 53.339 -53.108 -12.270 1.00 0.00 WATA H ATOM 3867 H2 TIP3A 22 53.345 -52.130 -10.962 1.00 0.00 WATA H ATOM 3868 OH2 TIP3A 23 47.727 18.538 26.725 1.00 0.00 WATA O ATOM 3869 H1 TIP3A 23 46.886 18.961 26.387 1.00 0.00 WATA H ATOM 3870 H2 TIP3A 23 48.498 18.832 26.161 1.00 0.00 WATA H ATOM 3871 OH2 TIP3A 24 -31.614 35.985 -16.924 1.00 0.00 WATA O ATOM 3872 H1 TIP3A 24 -31.860 35.055 -17.196 1.00 0.00 WATA H ATOM 3873 H2 TIP3A 24 -31.837 36.120 -15.960 1.00 0.00 WATA H ATOM 3874 OH2 TIP3A 25 -47.227 -48.049 53.313 1.00 0.00 WATA O ATOM 3875 H1 TIP3A 25 -48.145 -48.446 53.345 1.00 0.00 WATA H ATOM 3876 H2 TIP3A 25 -46.548 -48.781 53.293 1.00 0.00 WATA H ATOM 3877 OH2 TIP3A 26 3.705 -42.935 -10.187 1.00 0.00 WATA O ATOM 3878 H1 TIP3A 26 2.949 -42.624 -10.763 1.00 0.00 WATA H ATOM 3879 H2 TIP3A 26 4.571 -42.782 -10.661 1.00 0.00 WATA H ATOM 3880 OH2 TIP3A 27 10.114 1.853 -28.488 1.00 0.00 WATA O ATOM 3881 H1 TIP3A 27 9.628 0.991 -28.633 1.00 0.00 WATA H ATOM 3882 H2 TIP3A 27 11.100 1.686 -28.500 1.00 0.00 WATA H ATOM 3883 OH2 TIP3A 28 26.774 -34.565 -42.555 1.00 0.00 WATA O ATOM 3884 H1 TIP3A 28 26.399 -35.403 -42.157 1.00 0.00 WATA H ATOM 3885 H2 TIP3A 28 26.027 -33.949 -42.800 1.00 0.00 WATA H ATOM 3886 OH2 TIP3A 29 31.950 3.716 19.249 1.00 0.00 WATA O ATOM 3887 H1 TIP3A 29 31.856 4.702 19.386 1.00 0.00 WATA H ATOM 3888 H2 TIP3A 29 31.123 3.254 19.568 1.00 0.00 WATA H ATOM 3889 OH2 TIP3A 30 33.075 -38.032 39.426 1.00 0.00 WATA O ATOM 3890 H1 TIP3A 30 32.563 -38.307 40.240 1.00 0.00 WATA H ATOM 3891 H2 TIP3A 30 32.641 -37.233 39.013 1.00 0.00 WATA H ATOM 3892 OH2 TIP3A 31 -45.701 -20.740 21.623 1.00 0.00 WATA O ATOM 3893 H1 TIP3A 31 -44.863 -20.199 21.689 1.00 0.00 WATA H ATOM 3894 H2 TIP3A 31 -46.494 -20.141 21.733 1.00 0.00 WATA H ATOM 3895 OH2 TIP3A 32 -20.749 19.609 -13.516 1.00 0.00 WATA O ATOM 3896 H1 TIP3A 32 -20.142 20.046 -12.852 1.00 0.00 WATA H ATOM 3897 H2 TIP3A 32 -20.853 18.642 -13.287 1.00 0.00 WATA H ATOM 3898 OH2 TIP3A 33 52.362 -33.222 -43.305 1.00 0.00 WATA O ATOM 3899 H1 TIP3A 33 52.820 -32.350 -43.129 1.00 0.00 WATA H ATOM 3900 H2 TIP3A 33 52.732 -33.630 -44.139 1.00 0.00 WATA H ATOM 3901 OH2 TIP3A 34 -36.927 48.384 52.153 1.00 0.00 WATA O ATOM 3902 H1 TIP3A 34 -36.503 48.593 53.034 1.00 0.00 WATA H ATOM 3903 H2 TIP3A 34 -36.627 47.483 51.843 1.00 0.00 WATA H ATOM 3904 OH2 TIP3A 35 3.131 53.345 -36.630 1.00 0.00 WATA O ATOM 3905 H1 TIP3A 35 2.254 53.103 -36.214 1.00 0.00 WATA H ATOM 3906 H2 TIP3A 35 3.756 52.567 -36.568 1.00 0.00 WATA H ATOM 3907 OH2 TIP3A 36 -26.014 6.663 49.041 1.00 0.00 WATA O ATOM 3908 H1 TIP3A 36 -26.645 5.967 48.701 1.00 0.00 WATA H ATOM 3909 H2 TIP3A 36 -26.527 7.481 49.301 1.00 0.00 WATA H ATOM 3910 OH2 TIP3A 37 42.011 16.639 26.294 1.00 0.00 WATA O ATOM 3911 H1 TIP3A 37 41.067 16.968 26.264 1.00 0.00 WATA H ATOM 3912 H2 TIP3A 37 42.417 16.870 27.178 1.00 0.00 WATA H ATOM 3913 OH2 TIP3A 38 42.252 9.606 -42.106 1.00 0.00 WATA O ATOM 3914 H1 TIP3A 38 41.409 9.072 -42.049 1.00 0.00 WATA H ATOM 3915 H2 TIP3A 38 43.039 8.990 -42.097 1.00 0.00 WATA H ATOM 3916 OH2 TIP3A 39 26.774 -18.021 -41.787 1.00 0.00 WATA O ATOM 3917 H1 TIP3A 39 27.532 -17.800 -42.400 1.00 0.00 WATA H ATOM 3918 H2 TIP3A 39 27.107 -18.061 -40.845 1.00 0.00 WATA H ATOM 3919 OH2 TIP3A 40 -24.796 -18.551 -16.867 1.00 0.00 WATA O ATOM 3920 H1 TIP3A 40 -23.843 -18.255 -16.941 1.00 0.00 WATA H ATOM 3921 H2 TIP3A 40 -25.176 -18.237 -15.998 1.00 0.00 WATA H ATOM 3922 OH2 TIP3A 41 -12.668 31.033 50.549 1.00 0.00 WATA O ATOM 3923 H1 TIP3A 41 -12.180 30.292 51.010 1.00 0.00 WATA H ATOM 3924 H2 TIP3A 41 -12.633 30.890 49.560 1.00 0.00 WATA H ATOM 3925 OH2 TIP3A 42 8.419 -7.260 -38.055 1.00 0.00 WATA O ATOM 3926 H1 TIP3A 42 7.478 -6.926 -38.000 1.00 0.00 WATA H ATOM 3927 H2 TIP3A 42 8.530 -8.046 -37.448 1.00 0.00 WATA H ATOM 3928 OH2 TIP3A 43 3.045 43.584 35.837 1.00 0.00 WATA O ATOM 3929 H1 TIP3A 43 2.091 43.681 35.552 1.00 0.00 WATA H ATOM 3930 H2 TIP3A 43 3.168 42.706 36.299 1.00 0.00 WATA H ATOM 3931 OH2 TIP3A 44 -52.036 31.550 43.734 1.00 0.00 WATA O ATOM 3932 H1 TIP3A 44 -52.148 32.405 43.227 1.00 0.00 WATA H ATOM 3933 H2 TIP3A 44 -52.543 30.821 43.275 1.00 0.00 WATA H ATOM 3934 OH2 TIP3A 45 -31.112 -45.080 -50.310 1.00 0.00 WATA O ATOM 3935 H1 TIP3A 45 -31.436 -44.548 -49.528 1.00 0.00 WATA H ATOM 3936 H2 TIP3A 45 -31.003 -44.480 -51.101 1.00 0.00 WATA H ATOM 3937 OH2 TIP3A 46 -36.036 -15.445 -36.251 1.00 0.00 WATA O ATOM 3938 H1 TIP3A 46 -35.897 -15.462 -35.260 1.00 0.00 WATA H ATOM 3939 H2 TIP3A 46 -36.552 -14.626 -36.501 1.00 0.00 WATA H ATOM 3940 OH2 TIP3A 47 4.486 -20.689 46.426 1.00 0.00 WATA O ATOM 3941 H1 TIP3A 47 4.531 -21.663 46.650 1.00 0.00 WATA H ATOM 3942 H2 TIP3A 47 4.325 -20.162 47.260 1.00 0.00 WATA H ATOM 3943 OH2 TIP3A 48 32.338 52.824 19.910 1.00 0.00 WATA O ATOM 3944 H1 TIP3A 48 31.575 53.344 19.527 1.00 0.00 WATA H ATOM 3945 H2 TIP3A 48 32.757 53.344 20.653 1.00 0.00 WATA H ATOM 3946 OH2 TIP3A 49 -37.639 -31.723 -36.748 1.00 0.00 WATA O ATOM 3947 H1 TIP3A 49 -37.967 -32.668 -36.747 1.00 0.00 WATA H ATOM 3948 H2 TIP3A 49 -38.344 -31.125 -36.371 1.00 0.00 WATA H ATOM 3949 OH2 TIP3A 50 41.057 -35.103 -2.548 1.00 0.00 WATA O ATOM 3950 H1 TIP3A 50 40.501 -34.272 -2.595 1.00 0.00 WATA H ATOM 3951 H2 TIP3A 50 40.479 -35.878 -2.295 1.00 0.00 WATA H ATOM 3952 OH2 TIP3A 51 19.035 -35.674 26.847 1.00 0.00 WATA O ATOM 3953 H1 TIP3A 51 19.866 -35.260 26.476 1.00 0.00 WATA H ATOM 3954 H2 TIP3A 51 18.289 -35.010 26.817 1.00 0.00 WATA H ATOM 3955 OH2 TIP3A 52 -13.623 -33.022 -47.216 1.00 0.00 WATA O ATOM 3956 H1 TIP3A 52 -13.625 -32.037 -47.390 1.00 0.00 WATA H ATOM 3957 H2 TIP3A 52 -12.713 -33.304 -46.914 1.00 0.00 WATA H ATOM 3958 OH2 TIP3A 53 -39.562 -50.812 32.139 1.00 0.00 WATA O ATOM 3959 H1 TIP3A 53 -39.359 -51.790 32.189 1.00 0.00 WATA H ATOM 3960 H2 TIP3A 53 -40.552 -50.678 32.106 1.00 0.00 WATA H ATOM 3961 OH2 TIP3A 54 41.186 30.931 -44.170 1.00 0.00 WATA O ATOM 3962 H1 TIP3A 54 40.332 31.257 -43.762 1.00 0.00 WATA H ATOM 3963 H2 TIP3A 54 41.429 31.514 -44.944 1.00 0.00 WATA H ATOM 3964 OH2 TIP3A 55 -40.460 14.086 23.980 1.00 0.00 WATA O ATOM 3965 H1 TIP3A 55 -41.181 14.778 23.937 1.00 0.00 WATA H ATOM 3966 H2 TIP3A 55 -40.835 13.237 24.351 1.00 0.00 WATA H ATOM 3967 OH2 TIP3A 56 -10.300 35.447 42.006 1.00 0.00 WATA O ATOM 3968 H1 TIP3A 56 -11.194 35.890 42.079 1.00 0.00 WATA H ATOM 3969 H2 TIP3A 56 -9.710 35.982 41.403 1.00 0.00 WATA H ATOM 3970 OH2 TIP3A 57 -47.923 38.583 50.414 1.00 0.00 WATA O ATOM 3971 H1 TIP3A 57 -48.683 38.201 50.940 1.00 0.00 WATA H ATOM 3972 H2 TIP3A 57 -47.061 38.204 50.750 1.00 0.00 WATA H ATOM 3973 OH2 TIP3A 58 10.996 47.892 -8.430 1.00 0.00 WATA O ATOM 3974 H1 TIP3A 58 11.059 47.735 -7.444 1.00 0.00 WATA H ATOM 3975 H2 TIP3A 58 11.325 48.811 -8.644 1.00 0.00 WATA H ATOM 3976 OH2 TIP3A 59 -8.769 -10.669 45.649 1.00 0.00 WATA O ATOM 3977 H1 TIP3A 59 -8.437 -9.759 45.398 1.00 0.00 WATA H ATOM 3978 H2 TIP3A 59 -8.231 -11.021 46.414 1.00 0.00 WATA H ATOM 3979 OH2 TIP3A 60 49.381 1.291 -52.909 1.00 0.00 WATA O ATOM 3980 H1 TIP3A 60 48.382 1.348 -52.890 1.00 0.00 WATA H ATOM 3981 H2 TIP3A 60 49.661 0.332 -52.874 1.00 0.00 WATA H ATOM 3982 OH2 TIP3A 61 -32.704 -25.117 -8.389 1.00 0.00 WATA O ATOM 3983 H1 TIP3A 61 -32.814 -26.098 -8.227 1.00 0.00 WATA H ATOM 3984 H2 TIP3A 61 -31.755 -24.855 -8.221 1.00 0.00 WATA H ATOM 3985 OH2 TIP3A 62 41.054 46.869 17.371 1.00 0.00 WATA O ATOM 3986 H1 TIP3A 62 40.966 47.849 17.553 1.00 0.00 WATA H ATOM 3987 H2 TIP3A 62 42.019 46.638 17.251 1.00 0.00 WATA H ATOM 3988 OH2 TIP3A 63 -37.121 -24.448 -47.655 1.00 0.00 WATA O ATOM 3989 H1 TIP3A 63 -36.414 -23.821 -47.982 1.00 0.00 WATA H ATOM 3990 H2 TIP3A 63 -36.861 -25.388 -47.877 1.00 0.00 WATA H ATOM 3991 OH2 TIP3A 64 -0.098 -42.271 -44.666 1.00 0.00 WATA O ATOM 3992 H1 TIP3A 64 0.799 -42.336 -45.103 1.00 0.00 WATA H ATOM 3993 H2 TIP3A 64 -0.656 -43.057 -44.932 1.00 0.00 WATA H ATOM 3994 OH2 TIP3A 65 -17.224 -6.038 48.274 1.00 0.00 WATA O ATOM 3995 H1 TIP3A 65 -17.566 -5.170 48.634 1.00 0.00 WATA H ATOM 3996 H2 TIP3A 65 -17.783 -6.788 48.627 1.00 0.00 WATA H ATOM 3997 OH2 TIP3A 66 26.454 -6.219 -6.651 1.00 0.00 WATA O ATOM 3998 H1 TIP3A 66 25.519 -6.323 -6.990 1.00 0.00 WATA H ATOM 3999 H2 TIP3A 66 26.991 -7.023 -6.904 1.00 0.00 WATA H ATOM 4000 OH2 TIP3A 67 -1.993 -5.124 28.518 1.00 0.00 WATA O ATOM 4001 H1 TIP3A 67 -2.740 -5.062 27.856 1.00 0.00 WATA H ATOM 4002 H2 TIP3A 67 -2.364 -5.081 29.445 1.00 0.00 WATA H ATOM 4003 OH2 TIP3A 68 -35.965 -20.355 40.886 1.00 0.00 WATA O ATOM 4004 H1 TIP3A 68 -35.217 -20.492 40.236 1.00 0.00 WATA H ATOM 4005 H2 TIP3A 68 -36.070 -21.173 41.450 1.00 0.00 WATA H ATOM 4006 OH2 TIP3A 69 27.989 31.415 -33.206 1.00 0.00 WATA O ATOM 4007 H1 TIP3A 69 28.744 31.176 -33.816 1.00 0.00 WATA H ATOM 4008 H2 TIP3A 69 27.641 30.589 -32.765 1.00 0.00 WATA H ATOM 4009 OH2 TIP3A 70 15.296 6.724 -31.934 1.00 0.00 WATA O ATOM 4010 H1 TIP3A 70 15.729 5.828 -32.031 1.00 0.00 WATA H ATOM 4011 H2 TIP3A 70 14.977 6.841 -30.994 1.00 0.00 WATA H ATOM 4012 OH2 TIP3A 71 44.888 22.697 -29.847 1.00 0.00 WATA O ATOM 4013 H1 TIP3A 71 44.031 22.273 -30.140 1.00 0.00 WATA H ATOM 4014 H2 TIP3A 71 44.931 23.635 -30.188 1.00 0.00 WATA H ATOM 4015 OH2 TIP3A 72 -25.032 5.590 -48.023 1.00 0.00 WATA O ATOM 4016 H1 TIP3A 72 -25.881 5.061 -48.002 1.00 0.00 WATA H ATOM 4017 H2 TIP3A 72 -24.380 5.150 -48.639 1.00 0.00 WATA H ATOM 4018 OH2 TIP3A 73 -8.268 17.615 -29.533 1.00 0.00 WATA O ATOM 4019 H1 TIP3A 73 -9.125 18.088 -29.736 1.00 0.00 WATA H ATOM 4020 H2 TIP3A 73 -7.751 18.136 -28.855 1.00 0.00 WATA H ATOM 4021 OH2 TIP3A 74 -7.269 -45.271 50.820 1.00 0.00 WATA O ATOM 4022 H1 TIP3A 74 -8.123 -45.592 51.230 1.00 0.00 WATA H ATOM 4023 H2 TIP3A 74 -6.584 -45.997 50.865 1.00 0.00 WATA H ATOM 4024 OH2 TIP3A 75 -40.582 -15.365 24.077 1.00 0.00 WATA O ATOM 4025 H1 TIP3A 75 -41.472 -15.595 24.472 1.00 0.00 WATA H ATOM 4026 H2 TIP3A 75 -40.192 -14.585 24.566 1.00 0.00 WATA H ATOM 4027 OH2 TIP3A 76 -44.130 37.526 10.031 1.00 0.00 WATA O ATOM 4028 H1 TIP3A 76 -44.672 36.705 9.850 1.00 0.00 WATA H ATOM 4029 H2 TIP3A 76 -44.715 38.334 9.966 1.00 0.00 WATA H ATOM 4030 OH2 TIP3A 77 -1.179 -23.832 -43.397 1.00 0.00 WATA O ATOM 4031 H1 TIP3A 77 -0.779 -24.365 -42.652 1.00 0.00 WATA H ATOM 4032 H2 TIP3A 77 -2.141 -23.648 -43.197 1.00 0.00 WATA H ATOM 4033 OH2 TIP3A 78 -6.223 -39.082 -10.113 1.00 0.00 WATA O ATOM 4034 H1 TIP3A 78 -6.320 -40.076 -10.058 1.00 0.00 WATA H ATOM 4035 H2 TIP3A 78 -5.350 -38.855 -10.543 1.00 0.00 WATA H ATOM 4036 OH2 TIP3A 79 35.668 -41.877 -41.120 1.00 0.00 WATA O ATOM 4037 H1 TIP3A 79 35.044 -42.647 -40.985 1.00 0.00 WATA H ATOM 4038 H2 TIP3A 79 36.545 -42.214 -41.461 1.00 0.00 WATA H ATOM 4039 OH2 TIP3A 80 15.761 37.815 -34.972 1.00 0.00 WATA O ATOM 4040 H1 TIP3A 80 15.070 38.437 -35.340 1.00 0.00 WATA H ATOM 4041 H2 TIP3A 80 16.255 38.267 -34.229 1.00 0.00 WATA H ATOM 4042 OH2 TIP3A 81 51.033 -32.744 -46.647 1.00 0.00 WATA O ATOM 4043 H1 TIP3A 81 51.357 -33.690 -46.636 1.00 0.00 WATA H ATOM 4044 H2 TIP3A 81 51.807 -32.128 -46.794 1.00 0.00 WATA H ATOM 4045 OH2 TIP3A 82 5.269 47.399 14.095 1.00 0.00 WATA O ATOM 4046 H1 TIP3A 82 4.761 46.774 13.501 1.00 0.00 WATA H ATOM 4047 H2 TIP3A 82 4.668 48.141 14.391 1.00 0.00 WATA H ATOM 4048 OH2 TIP3A 83 44.501 -30.980 -45.472 1.00 0.00 WATA O ATOM 4049 H1 TIP3A 83 43.651 -31.373 -45.120 1.00 0.00 WATA H ATOM 4050 H2 TIP3A 83 44.945 -30.447 -44.752 1.00 0.00 WATA H ATOM 4051 OH2 TIP3A 84 29.280 40.688 0.860 1.00 0.00 WATA O ATOM 4052 H1 TIP3A 84 28.314 40.476 0.708 1.00 0.00 WATA H ATOM 4053 H2 TIP3A 84 29.464 41.628 0.574 1.00 0.00 WATA H ATOM 4054 OH2 TIP3A 85 41.057 -44.745 -25.301 1.00 0.00 WATA O ATOM 4055 H1 TIP3A 85 42.003 -45.055 -25.202 1.00 0.00 WATA H ATOM 4056 H2 TIP3A 85 40.508 -45.473 -25.710 1.00 0.00 WATA H ATOM 4057 OH2 TIP3A 86 -1.452 -38.876 41.271 1.00 0.00 WATA O ATOM 4058 H1 TIP3A 86 -0.541 -38.668 40.914 1.00 0.00 WATA H ATOM 4059 H2 TIP3A 86 -2.112 -38.879 40.520 1.00 0.00 WATA H ATOM 4060 OH2 TIP3A 87 -45.095 43.174 -35.767 1.00 0.00 WATA O ATOM 4061 H1 TIP3A 87 -45.936 43.392 -35.271 1.00 0.00 WATA H ATOM 4062 H2 TIP3A 87 -44.925 42.190 -35.719 1.00 0.00 WATA H ATOM 4063 OH2 TIP3A 88 44.279 35.365 8.417 1.00 0.00 WATA O ATOM 4064 H1 TIP3A 88 45.047 35.837 7.984 1.00 0.00 WATA H ATOM 4065 H2 TIP3A 88 43.578 36.030 8.671 1.00 0.00 WATA H ATOM 4066 OH2 TIP3A 89 -29.120 9.367 34.907 1.00 0.00 WATA O ATOM 4067 H1 TIP3A 89 -29.447 8.431 35.042 1.00 0.00 WATA H ATOM 4068 H2 TIP3A 89 -29.901 9.988 34.845 1.00 0.00 WATA H ATOM 4069 OH2 TIP3A 90 -2.993 51.628 14.024 1.00 0.00 WATA O ATOM 4070 H1 TIP3A 90 -3.363 51.824 13.116 1.00 0.00 WATA H ATOM 4071 H2 TIP3A 90 -2.139 52.131 14.153 1.00 0.00 WATA H ATOM 4072 OH2 TIP3A 91 -13.323 51.076 -19.520 1.00 0.00 WATA O ATOM 4073 H1 TIP3A 91 -12.505 51.436 -19.071 1.00 0.00 WATA H ATOM 4074 H2 TIP3A 91 -14.138 51.451 -19.079 1.00 0.00 WATA H ATOM 4075 OH2 TIP3A 92 18.931 -1.837 -40.621 1.00 0.00 WATA O ATOM 4076 H1 TIP3A 92 18.335 -1.741 -41.419 1.00 0.00 WATA H ATOM 4077 H2 TIP3A 92 18.508 -1.391 -39.833 1.00 0.00 WATA H ATOM 4078 OH2 TIP3A 93 -21.312 50.759 -47.099 1.00 0.00 WATA O ATOM 4079 H1 TIP3A 93 -21.826 50.129 -47.683 1.00 0.00 WATA H ATOM 4080 H2 TIP3A 93 -21.917 51.488 -46.781 1.00 0.00 WATA H ATOM 4081 OH2 TIP3A 94 -35.757 -20.685 20.698 1.00 0.00 WATA O ATOM 4082 H1 TIP3A 94 -36.682 -20.862 21.038 1.00 0.00 WATA H ATOM 4083 H2 TIP3A 94 -35.144 -21.412 21.005 1.00 0.00 WATA H ATOM 4084 OH2 TIP3A 95 43.732 -8.721 43.928 1.00 0.00 WATA O ATOM 4085 H1 TIP3A 95 42.880 -8.694 44.450 1.00 0.00 WATA H ATOM 4086 H2 TIP3A 95 44.214 -9.575 44.119 1.00 0.00 WATA H ATOM 4087 OH2 TIP3A 96 -8.423 -48.923 9.617 1.00 0.00 WATA O ATOM 4088 H1 TIP3A 96 -8.217 -49.882 9.811 1.00 0.00 WATA H ATOM 4089 H2 TIP3A 96 -7.572 -48.427 9.447 1.00 0.00 WATA H ATOM 4090 OH2 TIP3A 97 45.215 50.337 43.388 1.00 0.00 WATA O ATOM 4091 H1 TIP3A 97 45.724 51.189 43.266 1.00 0.00 WATA H ATOM 4092 H2 TIP3A 97 44.241 50.540 43.481 1.00 0.00 WATA H ATOM 4093 OH2 TIP3A 98 -39.840 -7.494 34.111 1.00 0.00 WATA O ATOM 4094 H1 TIP3A 98 -40.698 -7.819 33.712 1.00 0.00 WATA H ATOM 4095 H2 TIP3A 98 -40.038 -6.847 34.846 1.00 0.00 WATA H ATOM 4096 OH2 TIP3A 99 1.750 -43.008 23.001 1.00 0.00 WATA O ATOM 4097 H1 TIP3A 99 1.261 -43.012 22.129 1.00 0.00 WATA H ATOM 4098 H2 TIP3A 99 2.251 -43.866 23.108 1.00 0.00 WATA H ATOM 4099 OH2 TIP3A 100 27.606 -28.808 21.705 1.00 0.00 WATA O ATOM 4100 H1 TIP3A 100 27.977 -27.995 22.154 1.00 0.00 WATA H ATOM 4101 H2 TIP3A 100 28.008 -28.900 20.795 1.00 0.00 WATA H ATOM 4102 OH2 TIP3A 101 -18.144 2.487 41.191 1.00 0.00 WATA O ATOM 4103 H1 TIP3A 101 -17.386 2.210 40.599 1.00 0.00 WATA H ATOM 4104 H2 TIP3A 101 -18.250 3.480 41.154 1.00 0.00 WATA H ATOM 4105 OH2 TIP3A 102 -24.140 8.184 40.500 1.00 0.00 WATA O ATOM 4106 H1 TIP3A 102 -24.914 7.550 40.488 1.00 0.00 WATA H ATOM 4107 H2 TIP3A 102 -24.427 9.053 40.903 1.00 0.00 WATA H ATOM 4108 OH2 TIP3A 103 -27.071 -47.897 46.329 1.00 0.00 WATA O ATOM 4109 H1 TIP3A 103 -27.024 -47.981 47.324 1.00 0.00 WATA H ATOM 4110 H2 TIP3A 103 -27.894 -48.353 45.993 1.00 0.00 WATA H ATOM 4111 OH2 TIP3A 104 -33.074 50.277 -9.131 1.00 0.00 WATA O ATOM 4112 H1 TIP3A 104 -33.778 50.968 -9.295 1.00 0.00 WATA H ATOM 4113 H2 TIP3A 104 -33.491 49.368 -9.131 1.00 0.00 WATA H ATOM 4114 OH2 TIP3A 105 -1.379 -25.001 0.580 1.00 0.00 WATA O ATOM 4115 H1 TIP3A 105 -1.845 -24.383 1.213 1.00 0.00 WATA H ATOM 4116 H2 TIP3A 105 -1.024 -25.788 1.083 1.00 0.00 WATA H ATOM 4117 OH2 TIP3A 106 26.898 16.276 -22.668 1.00 0.00 WATA O ATOM 4118 H1 TIP3A 106 26.035 15.801 -22.497 1.00 0.00 WATA H ATOM 4119 H2 TIP3A 106 26.740 17.263 -22.673 1.00 0.00 WATA H ATOM 4120 OH2 TIP3A 107 -35.741 -3.085 -14.744 1.00 0.00 WATA O ATOM 4121 H1 TIP3A 107 -35.010 -3.190 -15.418 1.00 0.00 WATA H ATOM 4122 H2 TIP3A 107 -36.018 -2.125 -14.699 1.00 0.00 WATA H ATOM 4123 OH2 TIP3A 108 48.476 39.210 -22.823 1.00 0.00 WATA O ATOM 4124 H1 TIP3A 108 48.233 38.407 -22.278 1.00 0.00 WATA H ATOM 4125 H2 TIP3A 108 49.179 39.737 -22.346 1.00 0.00 WATA H ATOM 4126 OH2 TIP3A 109 -3.509 -30.999 32.103 1.00 0.00 WATA O ATOM 4127 H1 TIP3A 109 -3.024 -30.140 31.941 1.00 0.00 WATA H ATOM 4128 H2 TIP3A 109 -4.495 -30.837 32.068 1.00 0.00 WATA H ATOM 4129 OH2 TIP3A 110 -23.184 3.533 39.549 1.00 0.00 WATA O ATOM 4130 H1 TIP3A 110 -23.308 2.634 39.970 1.00 0.00 WATA H ATOM 4131 H2 TIP3A 110 -23.849 3.651 38.813 1.00 0.00 WATA H ATOM 4132 OH2 TIP3A 111 -53.201 30.397 9.921 1.00 0.00 WATA O ATOM 4133 H1 TIP3A 111 -52.810 29.647 10.455 1.00 0.00 WATA H ATOM 4134 H2 TIP3A 111 -53.345 30.096 8.979 1.00 0.00 WATA H ATOM 4135 OH2 TIP3A 112 8.831 30.919 16.595 1.00 0.00 WATA O ATOM 4136 H1 TIP3A 112 8.683 31.585 15.863 1.00 0.00 WATA H ATOM 4137 H2 TIP3A 112 9.618 31.195 17.145 1.00 0.00 WATA H ATOM 4138 OH2 TIP3A 113 14.169 21.112 21.925 1.00 0.00 WATA O ATOM 4139 H1 TIP3A 113 13.289 21.583 21.986 1.00 0.00 WATA H ATOM 4140 H2 TIP3A 113 14.053 20.153 22.180 1.00 0.00 WATA H ATOM 4141 OH2 TIP3A 114 -43.741 33.024 -52.020 1.00 0.00 WATA O ATOM 4142 H1 TIP3A 114 -42.766 32.894 -52.200 1.00 0.00 WATA H ATOM 4143 H2 TIP3A 114 -44.024 33.927 -52.343 1.00 0.00 WATA H ATOM 4144 OH2 TIP3A 115 -2.128 -26.609 16.415 1.00 0.00 WATA O ATOM 4145 H1 TIP3A 115 -1.346 -26.824 15.829 1.00 0.00 WATA H ATOM 4146 H2 TIP3A 115 -2.775 -26.039 15.911 1.00 0.00 WATA H ATOM 4147 OH2 TIP3A 116 -37.848 9.028 27.451 1.00 0.00 WATA O ATOM 4148 H1 TIP3A 116 -36.895 8.749 27.568 1.00 0.00 WATA H ATOM 4149 H2 TIP3A 116 -37.987 9.926 27.866 1.00 0.00 WATA H ATOM 4150 OH2 TIP3A 117 -15.813 -24.376 -25.709 1.00 0.00 WATA O ATOM 4151 H1 TIP3A 117 -16.119 -25.328 -25.708 1.00 0.00 WATA H ATOM 4152 H2 TIP3A 117 -16.607 -23.769 -25.707 1.00 0.00 WATA H ATOM 4153 OH2 TIP3A 118 43.745 -18.082 -35.068 1.00 0.00 WATA O ATOM 4154 H1 TIP3A 118 43.983 -19.052 -35.012 1.00 0.00 WATA H ATOM 4155 H2 TIP3A 118 42.820 -17.944 -34.715 1.00 0.00 WATA H ATOM 4156 OH2 TIP3A 119 38.091 34.140 10.981 1.00 0.00 WATA O ATOM 4157 H1 TIP3A 119 37.756 33.347 10.473 1.00 0.00 WATA H ATOM 4158 H2 TIP3A 119 39.084 34.079 11.077 1.00 0.00 WATA H ATOM 4159 OH2 TIP3A 120 40.169 40.998 -49.511 1.00 0.00 WATA O ATOM 4160 H1 TIP3A 120 40.096 41.387 -48.592 1.00 0.00 WATA H ATOM 4161 H2 TIP3A 120 40.629 41.650 -50.113 1.00 0.00 WATA H ATOM 4162 OH2 TIP3A 121 -3.866 2.457 46.316 1.00 0.00 WATA O ATOM 4163 H1 TIP3A 121 -4.267 1.639 45.903 1.00 0.00 WATA H ATOM 4164 H2 TIP3A 121 -2.907 2.285 46.535 1.00 0.00 WATA H ATOM 4165 OH2 TIP3A 122 36.830 -23.282 9.868 1.00 0.00 WATA O ATOM 4166 H1 TIP3A 122 37.526 -22.564 9.891 1.00 0.00 WATA H ATOM 4167 H2 TIP3A 122 37.267 -24.164 9.699 1.00 0.00 WATA H ATOM 4168 OH2 TIP3A 123 49.192 -46.852 -24.723 1.00 0.00 WATA O ATOM 4169 H1 TIP3A 123 49.230 -45.854 -24.777 1.00 0.00 WATA H ATOM 4170 H2 TIP3A 123 49.223 -47.237 -25.644 1.00 0.00 WATA H ATOM 4171 OH2 TIP3A 124 37.167 -0.035 5.061 1.00 0.00 WATA O ATOM 4172 H1 TIP3A 124 36.490 0.701 5.065 1.00 0.00 WATA H ATOM 4173 H2 TIP3A 124 38.086 0.357 5.062 1.00 0.00 WATA H ATOM 4174 OH2 TIP3A 125 52.369 44.604 -22.277 1.00 0.00 WATA O ATOM 4175 H1 TIP3A 125 53.345 44.389 -22.239 1.00 0.00 WATA H ATOM 4176 H2 TIP3A 125 52.247 45.544 -22.594 1.00 0.00 WATA H ATOM 4177 OH2 TIP3A 126 -53.345 -13.593 -21.274 1.00 0.00 WATA O ATOM 4178 H1 TIP3A 126 -53.203 -13.498 -22.260 1.00 0.00 WATA H ATOM 4179 H2 TIP3A 126 -52.858 -14.401 -20.943 1.00 0.00 WATA H ATOM 4180 OH2 TIP3A 127 45.958 17.179 -9.102 1.00 0.00 WATA O ATOM 4181 H1 TIP3A 127 45.057 16.817 -9.338 1.00 0.00 WATA H ATOM 4182 H2 TIP3A 127 45.878 18.147 -8.864 1.00 0.00 WATA H ATOM 4183 OH2 TIP3A 128 3.033 3.173 25.972 1.00 0.00 WATA O ATOM 4184 H1 TIP3A 128 4.009 2.997 25.839 1.00 0.00 WATA H ATOM 4185 H2 TIP3A 128 2.622 2.411 26.470 1.00 0.00 WATA H ATOM 4186 OH2 TIP3A 129 -26.015 -7.689 -27.376 1.00 0.00 WATA O ATOM 4187 H1 TIP3A 129 -25.776 -7.322 -28.276 1.00 0.00 WATA H ATOM 4188 H2 TIP3A 129 -25.701 -7.060 -26.665 1.00 0.00 WATA H ATOM 4189 OH2 TIP3A 130 23.546 -9.381 -20.735 1.00 0.00 WATA O ATOM 4190 H1 TIP3A 130 23.577 -8.424 -20.446 1.00 0.00 WATA H ATOM 4191 H2 TIP3A 130 23.164 -9.439 -21.657 1.00 0.00 WATA H ATOM 4192 OH2 TIP3A 131 14.859 20.305 38.657 1.00 0.00 WATA O ATOM 4193 H1 TIP3A 131 14.239 19.992 39.377 1.00 0.00 WATA H ATOM 4194 H2 TIP3A 131 15.570 20.882 39.056 1.00 0.00 WATA H ATOM 4195 OH2 TIP3A 132 42.506 48.696 11.492 1.00 0.00 WATA O ATOM 4196 H1 TIP3A 132 42.299 47.812 11.912 1.00 0.00 WATA H ATOM 4197 H2 TIP3A 132 43.412 48.662 11.073 1.00 0.00 WATA H ATOM 4198 OH2 TIP3A 133 -46.044 42.619 -38.630 1.00 0.00 WATA O ATOM 4199 H1 TIP3A 133 -46.737 42.914 -37.972 1.00 0.00 WATA H ATOM 4200 H2 TIP3A 133 -45.915 43.331 -39.320 1.00 0.00 WATA H ATOM 4201 OH2 TIP3A 134 -16.997 37.378 -8.629 1.00 0.00 WATA O ATOM 4202 H1 TIP3A 134 -16.561 37.932 -7.919 1.00 0.00 WATA H ATOM 4203 H2 TIP3A 134 -17.064 36.431 -8.318 1.00 0.00 WATA H ATOM 4204 OH2 TIP3A 135 24.219 -52.196 4.191 1.00 0.00 WATA O ATOM 4205 H1 TIP3A 135 24.495 -51.326 3.783 1.00 0.00 WATA H ATOM 4206 H2 TIP3A 135 23.381 -52.519 3.753 1.00 0.00 WATA H ATOM 4207 OH2 TIP3A 136 33.999 39.050 -37.295 1.00 0.00 WATA O ATOM 4208 H1 TIP3A 136 34.320 38.800 -36.381 1.00 0.00 WATA H ATOM 4209 H2 TIP3A 136 34.330 39.964 -37.526 1.00 0.00 WATA H ATOM 4210 OH2 TIP3A 137 -15.032 4.951 46.880 1.00 0.00 WATA O ATOM 4211 H1 TIP3A 137 -14.463 5.772 46.920 1.00 0.00 WATA H ATOM 4212 H2 TIP3A 137 -15.710 4.979 47.615 1.00 0.00 WATA H ATOM 4213 OH2 TIP3A 138 -14.536 -52.831 47.211 1.00 0.00 WATA O ATOM 4214 H1 TIP3A 138 -13.547 -52.686 47.215 1.00 0.00 WATA H ATOM 4215 H2 TIP3A 138 -15.003 -51.954 47.316 1.00 0.00 WATA H ATOM 4216 OH2 TIP3A 139 -13.358 6.357 39.826 1.00 0.00 WATA O ATOM 4217 H1 TIP3A 139 -12.980 5.444 39.979 1.00 0.00 WATA H ATOM 4218 H2 TIP3A 139 -14.250 6.428 40.271 1.00 0.00 WATA H ATOM 4219 OH2 TIP3A 140 -51.193 0.295 41.560 1.00 0.00 WATA O ATOM 4220 H1 TIP3A 140 -50.458 0.816 41.125 1.00 0.00 WATA H ATOM 4221 H2 TIP3A 140 -51.917 0.919 41.851 1.00 0.00 WATA H ATOM 4222 OH2 TIP3A 141 52.202 -23.082 38.402 1.00 0.00 WATA O ATOM 4223 H1 TIP3A 141 51.857 -23.904 38.856 1.00 0.00 WATA H ATOM 4224 H2 TIP3A 141 53.165 -22.950 38.637 1.00 0.00 WATA H ATOM 4225 OH2 TIP3A 142 25.524 -53.341 -0.467 1.00 0.00 WATA O ATOM 4226 H1 TIP3A 142 25.188 -53.094 -1.376 1.00 0.00 WATA H ATOM 4227 H2 TIP3A 142 26.438 -52.961 -0.334 1.00 0.00 WATA H ATOM 4228 OH2 TIP3A 143 -5.432 -31.675 -29.606 1.00 0.00 WATA O ATOM 4229 H1 TIP3A 143 -5.258 -31.171 -30.452 1.00 0.00 WATA H ATOM 4230 H2 TIP3A 143 -6.400 -31.604 -29.369 1.00 0.00 WATA H ATOM 4231 OH2 TIP3A 144 2.336 -22.188 -33.829 1.00 0.00 WATA O ATOM 4232 H1 TIP3A 144 1.562 -22.167 -33.197 1.00 0.00 WATA H ATOM 4233 H2 TIP3A 144 2.376 -21.328 -34.337 1.00 0.00 WATA H ATOM 4234 OH2 TIP3A 145 11.829 11.826 -28.833 1.00 0.00 WATA O ATOM 4235 H1 TIP3A 145 12.175 11.413 -29.675 1.00 0.00 WATA H ATOM 4236 H2 TIP3A 145 12.538 11.795 -28.129 1.00 0.00 WATA H ATOM 4237 OH2 TIP3A 146 3.040 -28.074 14.873 1.00 0.00 WATA O ATOM 4238 H1 TIP3A 146 3.981 -28.413 14.877 1.00 0.00 WATA H ATOM 4239 H2 TIP3A 146 3.046 -27.074 14.869 1.00 0.00 WATA H ATOM 4240 OH2 TIP3A 147 -13.697 33.659 -20.529 1.00 0.00 WATA O ATOM 4241 H1 TIP3A 147 -13.356 34.541 -20.204 1.00 0.00 WATA H ATOM 4242 H2 TIP3A 147 -14.612 33.499 -20.160 1.00 0.00 WATA H ATOM 4243 OH2 TIP3A 148 -21.747 29.884 -51.518 1.00 0.00 WATA O ATOM 4244 H1 TIP3A 148 -22.049 30.004 -52.464 1.00 0.00 WATA H ATOM 4245 H2 TIP3A 148 -21.008 29.212 -51.487 1.00 0.00 WATA H ATOM 4246 OH2 TIP3A 149 51.396 24.379 -52.482 1.00 0.00 WATA O ATOM 4247 H1 TIP3A 149 51.874 23.503 -52.424 1.00 0.00 WATA H ATOM 4248 H2 TIP3A 149 52.039 25.092 -52.762 1.00 0.00 WATA H ATOM 4249 OH2 TIP3A 150 -5.585 52.503 -18.812 1.00 0.00 WATA O ATOM 4250 H1 TIP3A 150 -5.896 51.657 -19.246 1.00 0.00 WATA H ATOM 4251 H2 TIP3A 150 -6.268 53.220 -18.952 1.00 0.00 WATA H ATOM 4252 OH2 TIP3A 151 28.378 52.768 -47.362 1.00 0.00 WATA O ATOM 4253 H1 TIP3A 151 29.099 53.345 -46.976 1.00 0.00 WATA H ATOM 4254 H2 TIP3A 151 27.672 53.345 -47.771 1.00 0.00 WATA H ATOM 4255 OH2 TIP3A 152 29.358 49.550 -23.359 1.00 0.00 WATA O ATOM 4256 H1 TIP3A 152 30.243 49.984 -23.530 1.00 0.00 WATA H ATOM 4257 H2 TIP3A 152 29.497 48.589 -23.124 1.00 0.00 WATA H ATOM 4258 OH2 TIP3A 153 36.018 0.802 43.831 1.00 0.00 WATA O ATOM 4259 H1 TIP3A 153 35.626 -0.065 43.524 1.00 0.00 WATA H ATOM 4260 H2 TIP3A 153 37.012 0.771 43.737 1.00 0.00 WATA H ATOM 4261 OH2 TIP3A 154 -9.240 -27.285 50.549 1.00 0.00 WATA O ATOM 4262 H1 TIP3A 154 -8.879 -28.074 51.048 1.00 0.00 WATA H ATOM 4263 H2 TIP3A 154 -10.063 -26.950 51.006 1.00 0.00 WATA H ATOM 4264 OH2 TIP3A 155 52.430 27.997 19.803 1.00 0.00 WATA O ATOM 4265 H1 TIP3A 155 51.802 27.224 19.899 1.00 0.00 WATA H ATOM 4266 H2 TIP3A 155 53.337 27.732 20.127 1.00 0.00 WATA H ATOM 4267 OH2 TIP3A 156 24.836 -22.220 14.014 1.00 0.00 WATA O ATOM 4268 H1 TIP3A 156 25.490 -22.620 13.372 1.00 0.00 WATA H ATOM 4269 H2 TIP3A 156 25.330 -21.749 14.743 1.00 0.00 WATA H ATOM 4270 OH2 TIP3A 157 31.979 46.834 46.905 1.00 0.00 WATA O ATOM 4271 H1 TIP3A 157 31.820 47.821 46.945 1.00 0.00 WATA H ATOM 4272 H2 TIP3A 157 32.940 46.660 46.691 1.00 0.00 WATA H ATOM 4273 OH2 TIP3A 158 -37.267 -31.583 -13.000 1.00 0.00 WATA O ATOM 4274 H1 TIP3A 158 -36.505 -31.229 -12.458 1.00 0.00 WATA H ATOM 4275 H2 TIP3A 158 -37.075 -32.525 -13.271 1.00 0.00 WATA H ATOM 4276 OH2 TIP3A 159 -15.365 52.549 38.516 1.00 0.00 WATA O ATOM 4277 H1 TIP3A 159 -15.436 52.093 37.628 1.00 0.00 WATA H ATOM 4278 H2 TIP3A 159 -14.481 53.009 38.585 1.00 0.00 WATA H ATOM 4279 OH2 TIP3A 160 50.171 23.870 48.331 1.00 0.00 WATA O ATOM 4280 H1 TIP3A 160 50.375 23.570 47.399 1.00 0.00 WATA H ATOM 4281 H2 TIP3A 160 50.252 23.095 48.957 1.00 0.00 WATA H ATOM 4282 OH2 TIP3A 161 -36.985 44.391 41.156 1.00 0.00 WATA O ATOM 4283 H1 TIP3A 161 -35.992 44.368 41.037 1.00 0.00 WATA H ATOM 4284 H2 TIP3A 161 -37.368 43.493 40.940 1.00 0.00 WATA H ATOM 4285 OH2 TIP3A 162 41.458 -11.696 38.134 1.00 0.00 WATA O ATOM 4286 H1 TIP3A 162 41.310 -12.267 37.326 1.00 0.00 WATA H ATOM 4287 H2 TIP3A 162 42.420 -11.739 38.402 1.00 0.00 WATA H ATOM 4288 OH2 TIP3A 163 -45.986 25.413 15.122 1.00 0.00 WATA O ATOM 4289 H1 TIP3A 163 -46.035 24.414 15.158 1.00 0.00 WATA H ATOM 4290 H2 TIP3A 163 -45.119 25.719 15.514 1.00 0.00 WATA H ATOM 4291 OH2 TIP3A 164 -4.151 52.503 -36.253 1.00 0.00 WATA O ATOM 4292 H1 TIP3A 164 -4.997 52.319 -35.753 1.00 0.00 WATA H ATOM 4293 H2 TIP3A 164 -4.254 53.344 -36.784 1.00 0.00 WATA H ATOM 4294 OH2 TIP3A 165 14.460 45.503 44.335 1.00 0.00 WATA O ATOM 4295 H1 TIP3A 165 14.993 44.669 44.193 1.00 0.00 WATA H ATOM 4296 H2 TIP3A 165 13.923 45.417 45.174 1.00 0.00 WATA H ATOM 4297 OH2 TIP3A 166 -45.188 -2.084 36.349 1.00 0.00 WATA O ATOM 4298 H1 TIP3A 166 -45.971 -1.522 36.617 1.00 0.00 WATA H ATOM 4299 H2 TIP3A 166 -44.657 -2.324 37.161 1.00 0.00 WATA H ATOM 4300 OH2 TIP3A 167 -22.745 49.735 41.502 1.00 0.00 WATA O ATOM 4301 H1 TIP3A 167 -22.265 49.344 40.717 1.00 0.00 WATA H ATOM 4302 H2 TIP3A 167 -22.079 50.066 42.169 1.00 0.00 WATA H ATOM 4303 OH2 TIP3A 168 -16.478 -8.487 -46.374 1.00 0.00 WATA O ATOM 4304 H1 TIP3A 168 -15.485 -8.537 -46.486 1.00 0.00 WATA H ATOM 4305 H2 TIP3A 168 -16.899 -9.307 -46.761 1.00 0.00 WATA H ATOM 4306 OH2 TIP3A 169 44.422 53.345 35.260 1.00 0.00 WATA O ATOM 4307 H1 TIP3A 169 43.530 52.896 35.309 1.00 0.00 WATA H ATOM 4308 H2 TIP3A 169 45.123 52.670 35.031 1.00 0.00 WATA H ATOM 4309 OH2 TIP3A 170 6.937 49.167 14.717 1.00 0.00 WATA O ATOM 4310 H1 TIP3A 170 6.878 48.342 15.279 1.00 0.00 WATA H ATOM 4311 H2 TIP3A 170 6.771 49.972 15.286 1.00 0.00 WATA H ATOM 4312 OH2 TIP3A 171 25.213 -46.221 -32.893 1.00 0.00 WATA O ATOM 4313 H1 TIP3A 171 24.567 -46.739 -33.453 1.00 0.00 WATA H ATOM 4314 H2 TIP3A 171 24.730 -45.803 -32.125 1.00 0.00 WATA H ATOM 4315 OH2 TIP3A 172 15.277 12.510 -24.911 1.00 0.00 WATA O ATOM 4316 H1 TIP3A 172 15.971 12.946 -24.339 1.00 0.00 WATA H ATOM 4317 H2 TIP3A 172 15.122 11.575 -24.595 1.00 0.00 WATA H ATOM 4318 OH2 TIP3A 173 21.995 -39.298 -14.656 1.00 0.00 WATA O ATOM 4319 H1 TIP3A 173 22.727 -39.830 -15.084 1.00 0.00 WATA H ATOM 4320 H2 TIP3A 173 21.656 -38.616 -15.303 1.00 0.00 WATA H ATOM 4321 OH2 TIP3A 174 17.973 -34.165 -18.199 1.00 0.00 WATA O ATOM 4322 H1 TIP3A 174 18.413 -33.641 -18.929 1.00 0.00 WATA H ATOM 4323 H2 TIP3A 174 18.345 -35.092 -18.183 1.00 0.00 WATA H ATOM 4324 OH2 TIP3A 175 -31.191 -31.935 4.650 1.00 0.00 WATA O ATOM 4325 H1 TIP3A 175 -30.369 -31.659 4.151 1.00 0.00 WATA H ATOM 4326 H2 TIP3A 175 -31.449 -31.214 5.292 1.00 0.00 WATA H ATOM 4327 OH2 TIP3A 176 -53.326 -3.729 -42.944 1.00 0.00 WATA O ATOM 4328 H1 TIP3A 176 -53.345 -4.720 -43.078 1.00 0.00 WATA H ATOM 4329 H2 TIP3A 176 -52.397 -3.390 -43.091 1.00 0.00 WATA H ATOM 4330 OH2 TIP3A 177 -18.711 48.314 -24.372 1.00 0.00 WATA O ATOM 4331 H1 TIP3A 177 -18.209 47.657 -23.809 1.00 0.00 WATA H ATOM 4332 H2 TIP3A 177 -19.693 48.184 -24.243 1.00 0.00 WATA H ATOM 4333 OH2 TIP3A 178 7.048 -11.535 27.155 1.00 0.00 WATA O ATOM 4334 H1 TIP3A 178 7.514 -10.887 26.553 1.00 0.00 WATA H ATOM 4335 H2 TIP3A 178 7.273 -12.469 26.878 1.00 0.00 WATA H ATOM 4336 OH2 TIP3A 179 3.133 -11.762 -42.524 1.00 0.00 WATA O ATOM 4337 H1 TIP3A 179 2.671 -12.074 -43.355 1.00 0.00 WATA H ATOM 4338 H2 TIP3A 179 2.845 -12.325 -41.750 1.00 0.00 WATA H ATOM 4339 OH2 TIP3A 180 34.672 2.862 39.267 1.00 0.00 WATA O ATOM 4340 H1 TIP3A 180 34.065 2.269 39.795 1.00 0.00 WATA H ATOM 4341 H2 TIP3A 180 35.586 2.849 39.670 1.00 0.00 WATA H ATOM 4342 OH2 TIP3A 181 25.979 -7.623 46.642 1.00 0.00 WATA O ATOM 4343 H1 TIP3A 181 26.908 -7.256 46.596 1.00 0.00 WATA H ATOM 4344 H2 TIP3A 181 25.321 -6.882 46.519 1.00 0.00 WATA H ATOM 4345 OH2 TIP3A 182 11.324 3.846 20.424 1.00 0.00 WATA O ATOM 4346 H1 TIP3A 182 11.697 4.752 20.625 1.00 0.00 WATA H ATOM 4347 H2 TIP3A 182 12.008 3.305 19.936 1.00 0.00 WATA H ATOM 4348 OH2 TIP3A 183 42.079 -29.656 39.384 1.00 0.00 WATA O ATOM 4349 H1 TIP3A 183 42.342 -30.176 38.571 1.00 0.00 WATA H ATOM 4350 H2 TIP3A 183 42.873 -29.160 39.735 1.00 0.00 WATA H ATOM 4351 OH2 TIP3A 184 -49.931 2.537 29.978 1.00 0.00 WATA O ATOM 4352 H1 TIP3A 184 -50.883 2.646 29.690 1.00 0.00 WATA H ATOM 4353 H2 TIP3A 184 -49.794 1.615 30.337 1.00 0.00 WATA H ATOM 4354 OH2 TIP3A 185 -35.977 -25.875 31.800 1.00 0.00 WATA O ATOM 4355 H1 TIP3A 185 -36.856 -25.763 32.266 1.00 0.00 WATA H ATOM 4356 H2 TIP3A 185 -36.129 -26.255 30.889 1.00 0.00 WATA H ATOM 4357 OH2 TIP3A 186 -5.246 -24.019 -32.225 1.00 0.00 WATA O ATOM 4358 H1 TIP3A 186 -4.515 -23.342 -32.311 1.00 0.00 WATA H ATOM 4359 H2 TIP3A 186 -5.423 -24.434 -33.117 1.00 0.00 WATA H ATOM 4360 OH2 TIP3A 187 -3.142 -26.637 22.107 1.00 0.00 WATA O ATOM 4361 H1 TIP3A 187 -4.121 -26.730 22.291 1.00 0.00 WATA H ATOM 4362 H2 TIP3A 187 -2.704 -27.533 22.171 1.00 0.00 WATA H ATOM 4363 OH2 TIP3A 188 11.536 19.718 -16.938 1.00 0.00 WATA O ATOM 4364 H1 TIP3A 188 10.932 19.181 -17.528 1.00 0.00 WATA H ATOM 4365 H2 TIP3A 188 12.467 19.360 -16.999 1.00 0.00 WATA H ATOM 4366 OH2 TIP3A 189 21.897 -9.137 41.174 1.00 0.00 WATA O ATOM 4367 H1 TIP3A 189 21.220 -8.403 41.216 1.00 0.00 WATA H ATOM 4368 H2 TIP3A 189 21.514 -9.917 40.680 1.00 0.00 WATA H ATOM 4369 OH2 TIP3A 190 46.142 5.305 0.924 1.00 0.00 WATA O ATOM 4370 H1 TIP3A 190 46.132 6.302 0.843 1.00 0.00 WATA H ATOM 4371 H2 TIP3A 190 47.085 4.976 0.875 1.00 0.00 WATA H ATOM 4372 OH2 TIP3A 191 16.549 -29.250 -30.605 1.00 0.00 WATA O ATOM 4373 H1 TIP3A 191 15.623 -29.178 -30.978 1.00 0.00 WATA H ATOM 4374 H2 TIP3A 191 16.910 -30.165 -30.782 1.00 0.00 WATA H ATOM 4375 OH2 TIP3A 192 32.460 39.250 -2.916 1.00 0.00 WATA O ATOM 4376 H1 TIP3A 192 31.510 38.960 -3.038 1.00 0.00 WATA H ATOM 4377 H2 TIP3A 192 32.505 40.248 -2.897 1.00 0.00 WATA H ATOM 4378 OH2 TIP3A 193 11.290 31.994 14.489 1.00 0.00 WATA O ATOM 4379 H1 TIP3A 193 10.669 32.538 13.924 1.00 0.00 WATA H ATOM 4380 H2 TIP3A 193 10.813 31.691 15.313 1.00 0.00 WATA H ATOM 4381 OH2 TIP3A 194 -51.732 40.577 -51.659 1.00 0.00 WATA O ATOM 4382 H1 TIP3A 194 -52.639 40.980 -51.537 1.00 0.00 WATA H ATOM 4383 H2 TIP3A 194 -51.755 39.926 -52.418 1.00 0.00 WATA H ATOM 4384 OH2 TIP3A 195 29.857 18.596 -43.677 1.00 0.00 WATA O ATOM 4385 H1 TIP3A 195 30.827 18.350 -43.676 1.00 0.00 WATA H ATOM 4386 H2 TIP3A 195 29.303 17.765 -43.657 1.00 0.00 WATA H ATOM 4387 OH2 TIP3A 196 30.125 -8.516 -17.612 1.00 0.00 WATA O ATOM 4388 H1 TIP3A 196 31.053 -8.887 -17.584 1.00 0.00 WATA H ATOM 4389 H2 TIP3A 196 29.465 -9.267 -17.594 1.00 0.00 WATA H ATOM 4390 OH2 TIP3A 197 -10.901 -32.701 -43.828 1.00 0.00 WATA O ATOM 4391 H1 TIP3A 197 -10.580 -31.873 -44.288 1.00 0.00 WATA H ATOM 4392 H2 TIP3A 197 -10.166 -33.077 -43.266 1.00 0.00 WATA H ATOM 4393 OH2 TIP3A 198 15.742 -1.713 -24.610 1.00 0.00 WATA O ATOM 4394 H1 TIP3A 198 16.658 -2.097 -24.493 1.00 0.00 WATA H ATOM 4395 H2 TIP3A 198 15.778 -0.959 -25.266 1.00 0.00 WATA H ATOM 4396 OH2 TIP3A 199 -19.908 21.749 14.409 1.00 0.00 WATA O ATOM 4397 H1 TIP3A 199 -19.489 20.935 14.811 1.00 0.00 WATA H ATOM 4398 H2 TIP3A 199 -20.621 21.472 13.765 1.00 0.00 WATA H ATOM 4399 OH2 TIP3A 200 -30.453 53.345 27.063 1.00 0.00 WATA O ATOM 4400 H1 TIP3A 200 -30.788 52.648 26.429 1.00 0.00 WATA H ATOM 4401 H2 TIP3A 200 -29.509 53.138 27.319 1.00 0.00 WATA H ATOM 4402 OH2 TIP3A 201 -46.075 44.359 5.732 1.00 0.00 WATA O ATOM 4403 H1 TIP3A 201 -46.427 45.293 5.670 1.00 0.00 WATA H ATOM 4404 H2 TIP3A 201 -46.813 43.712 5.542 1.00 0.00 WATA H ATOM 4405 OH2 TIP3A 202 8.668 21.022 16.834 1.00 0.00 WATA O ATOM 4406 H1 TIP3A 202 8.700 20.026 16.753 1.00 0.00 WATA H ATOM 4407 H2 TIP3A 202 9.063 21.437 16.015 1.00 0.00 WATA H ATOM 4408 OH2 TIP3A 203 -35.877 -11.541 -46.695 1.00 0.00 WATA O ATOM 4409 H1 TIP3A 203 -36.450 -12.147 -47.248 1.00 0.00 WATA H ATOM 4410 H2 TIP3A 203 -35.968 -10.602 -47.025 1.00 0.00 WATA H ATOM 4411 OH2 TIP3A 204 -44.717 26.499 -38.774 1.00 0.00 WATA O ATOM 4412 H1 TIP3A 204 -44.709 27.491 -38.646 1.00 0.00 WATA H ATOM 4413 H2 TIP3A 204 -45.644 26.152 -38.637 1.00 0.00 WATA H ATOM 4414 OH2 TIP3A 205 -18.399 -48.911 16.853 1.00 0.00 WATA O ATOM 4415 H1 TIP3A 205 -19.294 -49.327 16.687 1.00 0.00 WATA H ATOM 4416 H2 TIP3A 205 -17.955 -49.372 17.621 1.00 0.00 WATA H ATOM 4417 OH2 TIP3A 206 3.690 21.236 45.235 1.00 0.00 WATA O ATOM 4418 H1 TIP3A 206 4.686 21.327 45.230 1.00 0.00 WATA H ATOM 4419 H2 TIP3A 206 3.273 22.144 45.227 1.00 0.00 WATA H ATOM 4420 OH2 TIP3A 207 -43.429 -23.734 -33.052 1.00 0.00 WATA O ATOM 4421 H1 TIP3A 207 -42.820 -23.778 -33.845 1.00 0.00 WATA H ATOM 4422 H2 TIP3A 207 -43.084 -23.056 -32.404 1.00 0.00 WATA H ATOM 4423 OH2 TIP3A 208 12.305 31.584 29.282 1.00 0.00 WATA O ATOM 4424 H1 TIP3A 208 11.335 31.607 29.524 1.00 0.00 WATA H ATOM 4425 H2 TIP3A 208 12.560 30.656 29.012 1.00 0.00 WATA H ATOM 4426 OH2 TIP3A 209 8.869 35.993 5.565 1.00 0.00 WATA O ATOM 4427 H1 TIP3A 209 7.894 36.108 5.375 1.00 0.00 WATA H ATOM 4428 H2 TIP3A 209 9.316 36.887 5.567 1.00 0.00 WATA H ATOM 4429 OH2 TIP3A 210 -14.161 6.591 -22.005 1.00 0.00 WATA O ATOM 4430 H1 TIP3A 210 -14.488 6.792 -22.928 1.00 0.00 WATA H ATOM 4431 H2 TIP3A 210 -13.633 5.742 -22.015 1.00 0.00 WATA H ATOM 4432 OH2 TIP3A 211 -0.476 -31.944 -39.363 1.00 0.00 WATA O ATOM 4433 H1 TIP3A 211 -0.257 -32.756 -39.904 1.00 0.00 WATA H ATOM 4434 H2 TIP3A 211 -0.288 -31.123 -39.902 1.00 0.00 WATA H ATOM 4435 OH2 TIP3A 212 -42.700 -10.214 -44.040 1.00 0.00 WATA O ATOM 4436 H1 TIP3A 212 -41.736 -10.023 -43.852 1.00 0.00 WATA H ATOM 4437 H2 TIP3A 212 -43.260 -9.453 -43.717 1.00 0.00 WATA H ATOM 4438 OH2 TIP3A 213 -22.984 47.300 36.495 1.00 0.00 WATA O ATOM 4439 H1 TIP3A 213 -22.211 47.567 35.918 1.00 0.00 WATA H ATOM 4440 H2 TIP3A 213 -22.689 47.256 37.449 1.00 0.00 WATA H ATOM 4441 OH2 TIP3A 214 9.591 44.520 -51.707 1.00 0.00 WATA O ATOM 4442 H1 TIP3A 214 9.929 45.362 -52.128 1.00 0.00 WATA H ATOM 4443 H2 TIP3A 214 9.960 44.437 -50.782 1.00 0.00 WATA H ATOM 4444 OH2 TIP3A 215 3.775 14.091 -52.077 1.00 0.00 WATA O ATOM 4445 H1 TIP3A 215 3.900 14.781 -51.364 1.00 0.00 WATA H ATOM 4446 H2 TIP3A 215 2.806 13.853 -52.144 1.00 0.00 WATA H ATOM 4447 OH2 TIP3A 216 30.235 34.475 -25.623 1.00 0.00 WATA O ATOM 4448 H1 TIP3A 216 29.973 34.116 -24.728 1.00 0.00 WATA H ATOM 4449 H2 TIP3A 216 29.422 34.802 -26.103 1.00 0.00 WATA H ATOM 4450 OH2 TIP3A 217 10.530 -50.704 33.871 1.00 0.00 WATA O ATOM 4451 H1 TIP3A 217 9.580 -50.759 34.177 1.00 0.00 WATA H ATOM 4452 H2 TIP3A 217 11.123 -51.153 34.539 1.00 0.00 WATA H ATOM 4453 OH2 TIP3A 218 -24.832 45.046 41.350 1.00 0.00 WATA O ATOM 4454 H1 TIP3A 218 -25.246 44.816 42.231 1.00 0.00 WATA H ATOM 4455 H2 TIP3A 218 -25.119 44.381 40.662 1.00 0.00 WATA H ATOM 4456 OH2 TIP3A 219 15.547 40.650 32.563 1.00 0.00 WATA O ATOM 4457 H1 TIP3A 219 15.321 41.075 33.440 1.00 0.00 WATA H ATOM 4458 H2 TIP3A 219 16.521 40.427 32.542 1.00 0.00 WATA H ATOM 4459 OH2 TIP3A 220 33.038 0.653 0.393 1.00 0.00 WATA O ATOM 4460 H1 TIP3A 220 33.676 0.040 -0.073 1.00 0.00 WATA H ATOM 4461 H2 TIP3A 220 33.365 1.595 0.319 1.00 0.00 WATA H ATOM 4462 OH2 TIP3A 221 36.550 47.368 -18.877 1.00 0.00 WATA O ATOM 4463 H1 TIP3A 221 37.548 47.340 -18.948 1.00 0.00 WATA H ATOM 4464 H2 TIP3A 221 36.156 47.517 -19.783 1.00 0.00 WATA H ATOM 4465 OH2 TIP3A 222 -5.598 3.603 49.524 1.00 0.00 WATA O ATOM 4466 H1 TIP3A 222 -4.661 3.649 49.871 1.00 0.00 WATA H ATOM 4467 H2 TIP3A 222 -5.581 3.471 48.534 1.00 0.00 WATA H ATOM 4468 OH2 TIP3A 223 -9.118 -41.213 -24.955 1.00 0.00 WATA O ATOM 4469 H1 TIP3A 223 -8.565 -40.528 -24.481 1.00 0.00 WATA H ATOM 4470 H2 TIP3A 223 -8.799 -42.128 -24.709 1.00 0.00 WATA H ATOM 4471 OH2 TIP3A 224 24.261 -9.553 29.405 1.00 0.00 WATA O ATOM 4472 H1 TIP3A 224 24.789 -9.124 30.138 1.00 0.00 WATA H ATOM 4473 H2 TIP3A 224 24.857 -9.723 28.620 1.00 0.00 WATA H ATOM 4474 OH2 TIP3A 225 -17.089 3.453 -41.920 1.00 0.00 WATA O ATOM 4475 H1 TIP3A 225 -17.317 3.420 -40.946 1.00 0.00 WATA H ATOM 4476 H2 TIP3A 225 -16.564 4.281 -42.112 1.00 0.00 WATA H ATOM 4477 OH2 TIP3A 226 -25.214 -28.102 31.862 1.00 0.00 WATA O ATOM 4478 H1 TIP3A 226 -24.423 -28.147 32.472 1.00 0.00 WATA H ATOM 4479 H2 TIP3A 226 -25.112 -27.327 31.240 1.00 0.00 WATA H ATOM 4480 OH2 TIP3A 227 -36.350 -4.036 -35.507 1.00 0.00 WATA O ATOM 4481 H1 TIP3A 227 -35.685 -4.705 -35.840 1.00 0.00 WATA H ATOM 4482 H2 TIP3A 227 -37.075 -4.506 -35.006 1.00 0.00 WATA H ATOM 4483 OH2 TIP3A 228 -25.044 34.308 -47.357 1.00 0.00 WATA O ATOM 4484 H1 TIP3A 228 -24.330 34.787 -46.846 1.00 0.00 WATA H ATOM 4485 H2 TIP3A 228 -24.719 34.112 -48.281 1.00 0.00 WATA H ATOM 4486 OH2 TIP3A 229 -10.639 -7.542 40.165 1.00 0.00 WATA O ATOM 4487 H1 TIP3A 229 -10.190 -7.908 39.349 1.00 0.00 WATA H ATOM 4488 H2 TIP3A 229 -10.587 -8.214 40.903 1.00 0.00 WATA H ATOM 4489 OH2 TIP3A 230 -15.276 10.126 40.027 1.00 0.00 WATA O ATOM 4490 H1 TIP3A 230 -16.219 9.892 39.793 1.00 0.00 WATA H ATOM 4491 H2 TIP3A 230 -14.841 9.349 40.481 1.00 0.00 WATA H ATOM 4492 OH2 TIP3A 231 25.459 30.991 -17.449 1.00 0.00 WATA O ATOM 4493 H1 TIP3A 231 24.515 30.666 -17.377 1.00 0.00 WATA H ATOM 4494 H2 TIP3A 231 26.083 30.212 -17.422 1.00 0.00 WATA H ATOM 4495 OH2 TIP3A 232 -46.115 32.433 35.977 1.00 0.00 WATA O ATOM 4496 H1 TIP3A 232 -45.810 33.203 36.538 1.00 0.00 WATA H ATOM 4497 H2 TIP3A 232 -45.542 32.367 35.161 1.00 0.00 WATA H ATOM 4498 OH2 TIP3A 233 20.267 14.773 26.325 1.00 0.00 WATA O ATOM 4499 H1 TIP3A 233 19.952 13.892 26.677 1.00 0.00 WATA H ATOM 4500 H2 TIP3A 233 19.549 15.185 25.765 1.00 0.00 WATA H ATOM 4501 OH2 TIP3A 234 -52.777 -14.695 -32.820 1.00 0.00 WATA O ATOM 4502 H1 TIP3A 234 -52.873 -15.141 -33.710 1.00 0.00 WATA H ATOM 4503 H2 TIP3A 234 -53.344 -13.872 -32.797 1.00 0.00 WATA H ATOM 4504 OH2 TIP3A 235 -45.983 36.538 -18.731 1.00 0.00 WATA O ATOM 4505 H1 TIP3A 235 -46.185 36.264 -17.791 1.00 0.00 WATA H ATOM 4506 H2 TIP3A 235 -46.252 35.807 -19.357 1.00 0.00 WATA H ATOM 4507 OH2 TIP3A 236 41.822 45.192 -9.419 1.00 0.00 WATA O ATOM 4508 H1 TIP3A 236 42.501 44.601 -9.855 1.00 0.00 WATA H ATOM 4509 H2 TIP3A 236 41.473 44.748 -8.595 1.00 0.00 WATA H ATOM 4510 OH2 TIP3A 237 0.886 -2.494 49.274 1.00 0.00 WATA O ATOM 4511 H1 TIP3A 237 0.418 -3.190 49.819 1.00 0.00 WATA H ATOM 4512 H2 TIP3A 237 1.786 -2.312 49.667 1.00 0.00 WATA H ATOM 4513 OH2 TIP3A 238 -16.181 -11.998 39.569 1.00 0.00 WATA O ATOM 4514 H1 TIP3A 238 -15.463 -11.393 39.914 1.00 0.00 WATA H ATOM 4515 H2 TIP3A 238 -16.738 -11.506 38.900 1.00 0.00 WATA H ATOM 4516 OH2 TIP3A 239 17.255 49.978 -50.631 1.00 0.00 WATA O ATOM 4517 H1 TIP3A 239 17.387 50.827 -50.118 1.00 0.00 WATA H ATOM 4518 H2 TIP3A 239 16.525 50.105 -51.302 1.00 0.00 WATA H ATOM 4519 OH2 TIP3A 240 16.294 -22.319 37.146 1.00 0.00 WATA O ATOM 4520 H1 TIP3A 240 17.181 -22.778 37.183 1.00 0.00 WATA H ATOM 4521 H2 TIP3A 240 15.568 -23.001 37.068 1.00 0.00 WATA H ATOM 4522 OH2 TIP3A 241 35.938 20.261 -40.952 1.00 0.00 WATA O ATOM 4523 H1 TIP3A 241 35.018 20.600 -40.754 1.00 0.00 WATA H ATOM 4524 H2 TIP3A 241 36.574 21.031 -40.998 1.00 0.00 WATA H ATOM 4525 OH2 TIP3A 242 21.229 27.905 -26.577 1.00 0.00 WATA O ATOM 4526 H1 TIP3A 242 22.229 27.878 -26.563 1.00 0.00 WATA H ATOM 4527 H2 TIP3A 242 20.917 28.258 -27.458 1.00 0.00 WATA H ATOM 4528 OH2 TIP3A 243 -29.777 12.459 8.593 1.00 0.00 WATA O ATOM 4529 H1 TIP3A 243 -30.750 12.418 8.364 1.00 0.00 WATA H ATOM 4530 H2 TIP3A 243 -29.281 11.769 8.067 1.00 0.00 WATA H ATOM 4531 OH2 TIP3A 244 42.627 1.157 -12.470 1.00 0.00 WATA O ATOM 4532 H1 TIP3A 244 43.579 1.106 -12.168 1.00 0.00 WATA H ATOM 4533 H2 TIP3A 244 42.513 1.937 -13.083 1.00 0.00 WATA H ATOM 4534 OH2 TIP3A 245 -21.394 23.841 33.994 1.00 0.00 WATA O ATOM 4535 H1 TIP3A 245 -20.452 24.020 33.710 1.00 0.00 WATA H ATOM 4536 H2 TIP3A 245 -22.018 24.413 33.461 1.00 0.00 WATA H ATOM 4537 OH2 TIP3A 246 18.114 -6.563 -21.180 1.00 0.00 WATA O ATOM 4538 H1 TIP3A 246 18.908 -6.734 -21.763 1.00 0.00 WATA H ATOM 4539 H2 TIP3A 246 17.873 -5.594 -21.221 1.00 0.00 WATA H ATOM 4540 OH2 TIP3A 247 7.302 12.746 40.087 1.00 0.00 WATA O ATOM 4541 H1 TIP3A 247 7.459 13.731 40.163 1.00 0.00 WATA H ATOM 4542 H2 TIP3A 247 8.167 12.260 40.205 1.00 0.00 WATA H ATOM 4543 OH2 TIP3A 248 29.168 -15.066 -3.252 1.00 0.00 WATA O ATOM 4544 H1 TIP3A 248 29.468 -14.869 -4.186 1.00 0.00 WATA H ATOM 4545 H2 TIP3A 248 28.224 -15.391 -3.266 1.00 0.00 WATA H ATOM 4546 OH2 TIP3A 249 -0.023 -28.940 22.248 1.00 0.00 WATA O ATOM 4547 H1 TIP3A 249 0.716 -29.445 22.694 1.00 0.00 WATA H ATOM 4548 H2 TIP3A 249 0.020 -27.979 22.517 1.00 0.00 WATA H ATOM 4549 OH2 TIP3A 250 -35.328 22.439 8.830 1.00 0.00 WATA O ATOM 4550 H1 TIP3A 250 -35.930 21.854 8.286 1.00 0.00 WATA H ATOM 4551 H2 TIP3A 250 -34.519 21.921 9.106 1.00 0.00 WATA H ATOM 4552 OH2 TIP3A 251 33.996 0.487 -8.023 1.00 0.00 WATA O ATOM 4553 H1 TIP3A 251 33.929 1.293 -8.613 1.00 0.00 WATA H ATOM 4554 H2 TIP3A 251 33.342 -0.204 -8.327 1.00 0.00 WATA H ATOM 4555 OH2 TIP3A 252 4.362 35.662 22.547 1.00 0.00 WATA O ATOM 4556 H1 TIP3A 252 3.524 36.205 22.610 1.00 0.00 WATA H ATOM 4557 H2 TIP3A 252 4.202 34.755 22.936 1.00 0.00 WATA H ATOM 4558 OH2 TIP3A 253 -12.697 21.396 -34.298 1.00 0.00 WATA O ATOM 4559 H1 TIP3A 253 -12.110 22.081 -34.730 1.00 0.00 WATA H ATOM 4560 H2 TIP3A 253 -12.438 20.485 -34.617 1.00 0.00 WATA H ATOM 4561 OH2 TIP3A 254 -24.795 40.520 0.830 1.00 0.00 WATA O ATOM 4562 H1 TIP3A 254 -25.412 39.742 0.950 1.00 0.00 WATA H ATOM 4563 H2 TIP3A 254 -25.233 41.349 1.176 1.00 0.00 WATA H ATOM 4564 OH2 TIP3A 255 9.112 25.249 37.088 1.00 0.00 WATA O ATOM 4565 H1 TIP3A 255 8.233 25.673 37.308 1.00 0.00 WATA H ATOM 4566 H2 TIP3A 255 9.364 24.609 37.812 1.00 0.00 WATA H ATOM 4567 OH2 TIP3A 256 -28.695 -51.395 11.230 1.00 0.00 WATA O ATOM 4568 H1 TIP3A 256 -28.509 -52.165 11.841 1.00 0.00 WATA H ATOM 4569 H2 TIP3A 256 -28.939 -51.740 10.324 1.00 0.00 WATA H ATOM 4570 OH2 TIP3A 257 50.647 -33.246 -41.928 1.00 0.00 WATA O ATOM 4571 H1 TIP3A 257 49.698 -33.523 -42.081 1.00 0.00 WATA H ATOM 4572 H2 TIP3A 257 51.003 -33.710 -41.117 1.00 0.00 WATA H ATOM 4573 OH2 TIP3A 258 42.002 53.345 -13.574 1.00 0.00 WATA O ATOM 4574 H1 TIP3A 258 41.132 52.956 -13.272 1.00 0.00 WATA H ATOM 4575 H2 TIP3A 258 42.703 52.632 -13.577 1.00 0.00 WATA H ATOM 4576 OH2 TIP3A 259 25.703 45.402 -52.350 1.00 0.00 WATA O ATOM 4577 H1 TIP3A 259 25.018 45.966 -51.889 1.00 0.00 WATA H ATOM 4578 H2 TIP3A 259 26.583 45.499 -51.885 1.00 0.00 WATA H ATOM 4579 OH2 TIP3A 260 53.344 -29.029 15.406 1.00 0.00 WATA O ATOM 4580 H1 TIP3A 260 53.345 -28.029 15.374 1.00 0.00 WATA H ATOM 4581 H2 TIP3A 260 52.407 -29.359 15.507 1.00 0.00 WATA H ATOM 4582 OH2 TIP3A 261 31.813 2.195 -8.589 1.00 0.00 WATA O ATOM 4583 H1 TIP3A 261 31.741 1.227 -8.831 1.00 0.00 WATA H ATOM 4584 H2 TIP3A 261 32.086 2.279 -7.631 1.00 0.00 WATA H ATOM 4585 OH2 TIP3A 262 -5.887 -31.636 12.901 1.00 0.00 WATA O ATOM 4586 H1 TIP3A 262 -6.795 -31.307 13.164 1.00 0.00 WATA H ATOM 4587 H2 TIP3A 262 -5.885 -32.635 12.890 1.00 0.00 WATA H ATOM 4588 OH2 TIP3A 263 -42.750 47.182 40.761 1.00 0.00 WATA O ATOM 4589 H1 TIP3A 263 -42.935 47.909 40.099 1.00 0.00 WATA H ATOM 4590 H2 TIP3A 263 -43.566 46.615 40.871 1.00 0.00 WATA H ATOM 4591 OH2 TIP3A 264 18.326 -26.113 -8.448 1.00 0.00 WATA O ATOM 4592 H1 TIP3A 264 17.732 -26.116 -7.643 1.00 0.00 WATA H ATOM 4593 H2 TIP3A 264 18.219 -26.974 -8.944 1.00 0.00 WATA H ATOM 4594 OH2 TIP3A 265 -33.675 -16.002 -25.896 1.00 0.00 WATA O ATOM 4595 H1 TIP3A 265 -32.914 -15.693 -26.466 1.00 0.00 WATA H ATOM 4596 H2 TIP3A 265 -33.413 -16.837 -25.413 1.00 0.00 WATA H ATOM 4597 OH2 TIP3A 266 -3.006 -46.595 27.798 1.00 0.00 WATA O ATOM 4598 H1 TIP3A 266 -2.267 -47.066 27.315 1.00 0.00 WATA H ATOM 4599 H2 TIP3A 266 -3.750 -47.237 27.977 1.00 0.00 WATA H ATOM 4600 OH2 TIP3A 267 14.310 -36.770 -47.993 1.00 0.00 WATA O ATOM 4601 H1 TIP3A 267 14.640 -35.829 -48.070 1.00 0.00 WATA H ATOM 4602 H2 TIP3A 267 13.312 -36.770 -47.943 1.00 0.00 WATA H ATOM 4603 OH2 TIP3A 268 3.353 -36.079 -3.782 1.00 0.00 WATA O ATOM 4604 H1 TIP3A 268 4.332 -35.876 -3.764 1.00 0.00 WATA H ATOM 4605 H2 TIP3A 268 2.849 -35.328 -3.359 1.00 0.00 WATA H ATOM 4606 OH2 TIP3A 269 39.720 1.346 -36.757 1.00 0.00 WATA O ATOM 4607 H1 TIP3A 269 38.938 1.683 -36.232 1.00 0.00 WATA H ATOM 4608 H2 TIP3A 269 40.537 1.356 -36.182 1.00 0.00 WATA H ATOM 4609 OH2 TIP3A 270 -52.406 51.171 -18.440 1.00 0.00 WATA O ATOM 4610 H1 TIP3A 270 -53.121 50.559 -18.100 1.00 0.00 WATA H ATOM 4611 H2 TIP3A 270 -51.712 50.638 -18.922 1.00 0.00 WATA H ATOM 4612 OH2 TIP3A 271 29.566 46.174 15.280 1.00 0.00 WATA O ATOM 4613 H1 TIP3A 271 29.800 46.786 14.523 1.00 0.00 WATA H ATOM 4614 H2 TIP3A 271 29.365 46.715 16.096 1.00 0.00 WATA H ATOM 4615 OH2 TIP3A 272 50.979 -39.507 -45.034 1.00 0.00 WATA O ATOM 4616 H1 TIP3A 272 50.781 -38.767 -44.391 1.00 0.00 WATA H ATOM 4617 H2 TIP3A 272 51.903 -39.853 -44.870 1.00 0.00 WATA H ATOM 4618 OH2 TIP3A 273 52.629 34.872 47.490 1.00 0.00 WATA O ATOM 4619 H1 TIP3A 273 52.637 34.689 46.506 1.00 0.00 WATA H ATOM 4620 H2 TIP3A 273 52.910 34.050 47.984 1.00 0.00 WATA H ATOM 4621 OH2 TIP3A 274 50.874 -31.125 27.627 1.00 0.00 WATA O ATOM 4622 H1 TIP3A 274 51.481 -31.603 26.992 1.00 0.00 WATA H ATOM 4623 H2 TIP3A 274 50.795 -31.650 28.473 1.00 0.00 WATA H ATOM 4624 OH2 TIP3A 275 -10.420 -39.091 10.656 1.00 0.00 WATA O ATOM 4625 H1 TIP3A 275 -10.537 -38.481 11.440 1.00 0.00 WATA H ATOM 4626 H2 TIP3A 275 -9.450 -39.148 10.419 1.00 0.00 WATA H ATOM 4627 OH2 TIP3A 276 -14.156 2.528 29.889 1.00 0.00 WATA O ATOM 4628 H1 TIP3A 276 -14.888 2.290 30.529 1.00 0.00 WATA H ATOM 4629 H2 TIP3A 276 -13.511 3.146 30.336 1.00 0.00 WATA H ATOM 4630 OH2 TIP3A 277 -22.641 -4.008 30.993 1.00 0.00 WATA O ATOM 4631 H1 TIP3A 277 -23.590 -4.307 31.089 1.00 0.00 WATA H ATOM 4632 H2 TIP3A 277 -22.604 -3.009 30.993 1.00 0.00 WATA H ATOM 4633 OH2 TIP3A 278 38.987 8.688 15.159 1.00 0.00 WATA O ATOM 4634 H1 TIP3A 278 38.469 7.858 15.370 1.00 0.00 WATA H ATOM 4635 H2 TIP3A 278 39.591 8.908 15.924 1.00 0.00 WATA H ATOM 4636 OH2 TIP3A 279 -6.162 15.903 -39.216 1.00 0.00 WATA O ATOM 4637 H1 TIP3A 279 -5.483 16.638 -39.222 1.00 0.00 WATA H ATOM 4638 H2 TIP3A 279 -5.697 15.019 -39.225 1.00 0.00 WATA H ATOM 4639 OH2 TIP3A 280 35.926 -32.027 -24.992 1.00 0.00 WATA O ATOM 4640 H1 TIP3A 280 36.531 -31.279 -24.717 1.00 0.00 WATA H ATOM 4641 H2 TIP3A 280 35.658 -32.553 -24.185 1.00 0.00 WATA H ATOM 4642 OH2 TIP3A 281 -30.891 -0.500 9.477 1.00 0.00 WATA O ATOM 4643 H1 TIP3A 281 -31.401 0.162 10.027 1.00 0.00 WATA H ATOM 4644 H2 TIP3A 281 -30.034 -0.728 9.939 1.00 0.00 WATA H ATOM 4645 OH2 TIP3A 282 -37.568 -41.037 2.748 1.00 0.00 WATA O ATOM 4646 H1 TIP3A 282 -37.694 -40.768 1.792 1.00 0.00 WATA H ATOM 4647 H2 TIP3A 282 -36.652 -41.419 2.868 1.00 0.00 WATA H ATOM 4648 OH2 TIP3A 283 -33.244 37.512 -3.245 1.00 0.00 WATA O ATOM 4649 H1 TIP3A 283 -34.243 37.531 -3.274 1.00 0.00 WATA H ATOM 4650 H2 TIP3A 283 -32.894 38.445 -3.173 1.00 0.00 WATA H ATOM 4651 OH2 TIP3A 284 -40.462 -38.976 -19.427 1.00 0.00 WATA O ATOM 4652 H1 TIP3A 284 -39.852 -38.732 -18.673 1.00 0.00 WATA H ATOM 4653 H2 TIP3A 284 -41.240 -38.349 -19.443 1.00 0.00 WATA H ATOM 4654 OH2 TIP3A 285 8.334 -43.675 -12.130 1.00 0.00 WATA O ATOM 4655 H1 TIP3A 285 7.597 -43.127 -11.734 1.00 0.00 WATA H ATOM 4656 H2 TIP3A 285 9.217 -43.292 -11.860 1.00 0.00 WATA H ATOM 4657 OH2 TIP3A 286 43.628 -50.270 -20.019 1.00 0.00 WATA O ATOM 4658 H1 TIP3A 286 43.984 -51.189 -20.188 1.00 0.00 WATA H ATOM 4659 H2 TIP3A 286 42.686 -50.333 -19.689 1.00 0.00 WATA H ATOM 4660 OH2 TIP3A 287 -19.967 35.087 24.773 1.00 0.00 WATA O ATOM 4661 H1 TIP3A 287 -19.984 35.183 23.777 1.00 0.00 WATA H ATOM 4662 H2 TIP3A 287 -20.502 34.286 25.040 1.00 0.00 WATA H ATOM 4663 OH2 TIP3A 288 -48.056 24.440 -31.558 1.00 0.00 WATA O ATOM 4664 H1 TIP3A 288 -47.302 24.748 -30.978 1.00 0.00 WATA H ATOM 4665 H2 TIP3A 288 -48.831 25.063 -31.456 1.00 0.00 WATA H ATOM 4666 OH2 TIP3A 289 -53.187 -15.617 -11.264 1.00 0.00 WATA O ATOM 4667 H1 TIP3A 289 -52.219 -15.444 -11.446 1.00 0.00 WATA H ATOM 4668 H2 TIP3A 289 -53.345 -16.603 -11.211 1.00 0.00 WATA H ATOM 4669 OH2 TIP3A 290 -31.223 19.468 41.778 1.00 0.00 WATA O ATOM 4670 H1 TIP3A 290 -31.877 20.213 41.917 1.00 0.00 WATA H ATOM 4671 H2 TIP3A 290 -30.301 19.844 41.697 1.00 0.00 WATA H ATOM 4672 OH2 TIP3A 291 -0.141 -51.169 -48.132 1.00 0.00 WATA O ATOM 4673 H1 TIP3A 291 -0.855 -50.892 -48.774 1.00 0.00 WATA H ATOM 4674 H2 TIP3A 291 -0.259 -52.132 -47.895 1.00 0.00 WATA H ATOM 4675 OH2 TIP3A 292 11.722 -34.602 37.599 1.00 0.00 WATA O ATOM 4676 H1 TIP3A 292 11.363 -35.403 38.079 1.00 0.00 WATA H ATOM 4677 H2 TIP3A 292 12.633 -34.807 37.242 1.00 0.00 WATA H ATOM 4678 OH2 TIP3A 293 30.446 -0.224 35.461 1.00 0.00 WATA O ATOM 4679 H1 TIP3A 293 30.762 -0.141 34.515 1.00 0.00 WATA H ATOM 4680 H2 TIP3A 293 30.922 -0.981 35.907 1.00 0.00 WATA H ATOM 4681 OH2 TIP3A 294 -2.107 -49.920 -0.256 1.00 0.00 WATA O ATOM 4682 H1 TIP3A 294 -2.819 -50.156 0.405 1.00 0.00 WATA H ATOM 4683 H2 TIP3A 294 -2.529 -49.668 -1.126 1.00 0.00 WATA H ATOM 4684 OH2 TIP3A 295 31.805 -32.030 -10.759 1.00 0.00 WATA O ATOM 4685 H1 TIP3A 295 32.278 -32.629 -11.405 1.00 0.00 WATA H ATOM 4686 H2 TIP3A 295 30.817 -32.138 -10.865 1.00 0.00 WATA H ATOM 4687 OH2 TIP3A 296 15.196 47.269 -43.850 1.00 0.00 WATA O ATOM 4688 H1 TIP3A 296 16.092 46.852 -43.697 1.00 0.00 WATA H ATOM 4689 H2 TIP3A 296 14.559 46.577 -44.189 1.00 0.00 WATA H ATOM 4690 OH2 TIP3A 297 -11.492 0.317 -31.606 1.00 0.00 WATA O ATOM 4691 H1 TIP3A 297 -12.411 0.309 -31.212 1.00 0.00 WATA H ATOM 4692 H2 TIP3A 297 -11.009 -0.517 -31.342 1.00 0.00 WATA H ATOM 4693 OH2 TIP3A 298 33.531 -0.970 -36.595 1.00 0.00 WATA O ATOM 4694 H1 TIP3A 298 34.268 -0.295 -36.550 1.00 0.00 WATA H ATOM 4695 H2 TIP3A 298 33.923 -1.886 -36.680 1.00 0.00 WATA H ATOM 4696 OH2 TIP3A 299 -26.178 -33.827 34.087 1.00 0.00 WATA O ATOM 4697 H1 TIP3A 299 -26.570 -34.747 34.075 1.00 0.00 WATA H ATOM 4698 H2 TIP3A 299 -25.181 -33.888 34.056 1.00 0.00 WATA H ATOM 4699 OH2 TIP3A 300 -47.710 -37.669 -40.825 1.00 0.00 WATA O ATOM 4700 H1 TIP3A 300 -47.806 -37.485 -41.804 1.00 0.00 WATA H ATOM 4701 H2 TIP3A 300 -47.108 -36.985 -40.415 1.00 0.00 WATA H ATOM 4702 OH2 TIP3A 301 -52.036 6.735 32.442 1.00 0.00 WATA O ATOM 4703 H1 TIP3A 301 -52.003 7.544 33.030 1.00 0.00 WATA H ATOM 4704 H2 TIP3A 301 -52.968 6.375 32.423 1.00 0.00 WATA H ATOM 4705 OH2 TIP3A 302 48.020 -4.804 -41.485 1.00 0.00 WATA O ATOM 4706 H1 TIP3A 302 48.972 -4.990 -41.241 1.00 0.00 WATA H ATOM 4707 H2 TIP3A 302 47.823 -5.195 -42.383 1.00 0.00 WATA H ATOM 4708 OH2 TIP3A 303 14.317 19.122 -41.772 1.00 0.00 WATA O ATOM 4709 H1 TIP3A 303 14.469 18.136 -41.694 1.00 0.00 WATA H ATOM 4710 H2 TIP3A 303 15.194 19.587 -41.885 1.00 0.00 WATA H ATOM 4711 OH2 TIP3A 304 11.390 24.194 2.031 1.00 0.00 WATA O ATOM 4712 H1 TIP3A 304 12.305 24.557 1.854 1.00 0.00 WATA H ATOM 4713 H2 TIP3A 304 10.717 24.929 1.951 1.00 0.00 WATA H ATOM 4714 OH2 TIP3A 305 14.247 -39.665 42.229 1.00 0.00 WATA O ATOM 4715 H1 TIP3A 305 13.807 -40.141 42.991 1.00 0.00 WATA H ATOM 4716 H2 TIP3A 305 13.559 -39.154 41.714 1.00 0.00 WATA H ATOM 4717 OH2 TIP3A 306 -26.859 23.085 -6.736 1.00 0.00 WATA O ATOM 4718 H1 TIP3A 306 -26.421 23.968 -6.567 1.00 0.00 WATA H ATOM 4719 H2 TIP3A 306 -27.360 22.800 -5.920 1.00 0.00 WATA H ATOM 4720 OH2 TIP3A 307 -2.915 5.687 34.137 1.00 0.00 WATA O ATOM 4721 H1 TIP3A 307 -3.465 6.352 34.644 1.00 0.00 WATA H ATOM 4722 H2 TIP3A 307 -2.058 6.114 33.850 1.00 0.00 WATA H ATOM 4723 OH2 TIP3A 308 10.390 52.581 2.836 1.00 0.00 WATA O ATOM 4724 H1 TIP3A 308 9.466 52.855 3.105 1.00 0.00 WATA H ATOM 4725 H2 TIP3A 308 11.019 53.345 2.980 1.00 0.00 WATA H ATOM 4726 OH2 TIP3A 309 28.047 16.282 11.759 1.00 0.00 WATA O ATOM 4727 H1 TIP3A 309 28.603 15.611 12.250 1.00 0.00 WATA H ATOM 4728 H2 TIP3A 309 27.667 15.862 10.936 1.00 0.00 WATA H ATOM 4729 OH2 TIP3A 310 -53.188 15.136 12.526 1.00 0.00 WATA O ATOM 4730 H1 TIP3A 310 -53.313 15.580 13.413 1.00 0.00 WATA H ATOM 4731 H2 TIP3A 310 -53.345 15.799 11.795 1.00 0.00 WATA H ATOM 4732 OH2 TIP3A 311 41.841 -52.128 -27.179 1.00 0.00 WATA O ATOM 4733 H1 TIP3A 311 42.134 -51.844 -28.092 1.00 0.00 WATA H ATOM 4734 H2 TIP3A 311 41.446 -51.346 -26.697 1.00 0.00 WATA H ATOM 4735 OH2 TIP3A 312 -36.738 -23.248 10.626 1.00 0.00 WATA O ATOM 4736 H1 TIP3A 312 -37.367 -22.845 9.961 1.00 0.00 WATA H ATOM 4737 H2 TIP3A 312 -37.060 -24.159 10.881 1.00 0.00 WATA H ATOM 4738 OH2 TIP3A 313 -40.639 -18.860 -28.013 1.00 0.00 WATA O ATOM 4739 H1 TIP3A 313 -41.305 -19.573 -28.232 1.00 0.00 WATA H ATOM 4740 H2 TIP3A 313 -41.046 -17.962 -28.175 1.00 0.00 WATA H ATOM 4741 OH2 TIP3A 314 28.206 32.516 -41.666 1.00 0.00 WATA O ATOM 4742 H1 TIP3A 314 27.536 33.240 -41.832 1.00 0.00 WATA H ATOM 4743 H2 TIP3A 314 29.003 32.899 -41.200 1.00 0.00 WATA H ATOM 4744 OH2 TIP3A 315 38.419 -38.036 -47.527 1.00 0.00 WATA O ATOM 4745 H1 TIP3A 315 37.795 -38.795 -47.713 1.00 0.00 WATA H ATOM 4746 H2 TIP3A 315 37.901 -37.183 -47.472 1.00 0.00 WATA H ATOM 4747 OH2 TIP3A 316 -1.276 -34.169 -11.726 1.00 0.00 WATA O ATOM 4748 H1 TIP3A 316 -0.644 -34.516 -12.419 1.00 0.00 WATA H ATOM 4749 H2 TIP3A 316 -0.793 -34.060 -10.858 1.00 0.00 WATA H ATOM 4750 OH2 TIP3A 317 -48.956 -42.817 10.258 1.00 0.00 WATA O ATOM 4751 H1 TIP3A 317 -49.475 -43.538 10.718 1.00 0.00 WATA H ATOM 4752 H2 TIP3A 317 -48.798 -43.075 9.305 1.00 0.00 WATA H ATOM 4753 OH2 TIP3A 318 -6.288 -1.509 52.720 1.00 0.00 WATA O ATOM 4754 H1 TIP3A 318 -7.050 -2.120 52.932 1.00 0.00 WATA H ATOM 4755 H2 TIP3A 318 -6.595 -0.799 52.087 1.00 0.00 WATA H ATOM 4756 OH2 TIP3A 319 6.652 -47.700 47.573 1.00 0.00 WATA O ATOM 4757 H1 TIP3A 319 5.983 -46.975 47.405 1.00 0.00 WATA H ATOM 4758 H2 TIP3A 319 7.575 -47.319 47.526 1.00 0.00 WATA H ATOM 4759 OH2 TIP3A 320 1.375 29.194 -49.170 1.00 0.00 WATA O ATOM 4760 H1 TIP3A 320 1.438 28.419 -48.541 1.00 0.00 WATA H ATOM 4761 H2 TIP3A 320 0.433 29.291 -49.488 1.00 0.00 WATA H ATOM 4762 OH2 TIP3A 321 -26.419 -11.849 47.564 1.00 0.00 WATA O ATOM 4763 H1 TIP3A 321 -27.323 -11.841 47.135 1.00 0.00 WATA H ATOM 4764 H2 TIP3A 321 -26.336 -12.654 48.151 1.00 0.00 WATA H ATOM 4765 OH2 TIP3A 322 35.271 -21.867 1.590 1.00 0.00 WATA O ATOM 4766 H1 TIP3A 322 36.213 -22.199 1.645 1.00 0.00 WATA H ATOM 4767 H2 TIP3A 322 35.201 -20.983 2.051 1.00 0.00 WATA H ATOM 4768 OH2 TIP3A 323 39.397 -51.923 -44.379 1.00 0.00 WATA O ATOM 4769 H1 TIP3A 323 39.549 -52.843 -44.019 1.00 0.00 WATA H ATOM 4770 H2 TIP3A 323 38.594 -51.521 -43.939 1.00 0.00 WATA H ATOM 4771 OH2 TIP3A 324 12.579 25.492 -51.933 1.00 0.00 WATA O ATOM 4772 H1 TIP3A 324 12.092 25.906 -51.164 1.00 0.00 WATA H ATOM 4773 H2 TIP3A 324 12.983 26.210 -52.498 1.00 0.00 WATA H ATOM 4774 OH2 TIP3A 325 -11.021 -13.348 -24.278 1.00 0.00 WATA O ATOM 4775 H1 TIP3A 325 -11.309 -12.853 -25.098 1.00 0.00 WATA H ATOM 4776 H2 TIP3A 325 -10.532 -14.178 -24.543 1.00 0.00 WATA H ATOM 4777 OH2 TIP3A 326 30.667 2.721 21.772 1.00 0.00 WATA O ATOM 4778 H1 TIP3A 326 30.212 2.050 22.358 1.00 0.00 WATA H ATOM 4779 H2 TIP3A 326 31.583 2.394 21.540 1.00 0.00 WATA H ATOM 4780 OH2 TIP3A 327 49.547 6.142 -21.132 1.00 0.00 WATA O ATOM 4781 H1 TIP3A 327 49.923 6.972 -20.721 1.00 0.00 WATA H ATOM 4782 H2 TIP3A 327 48.598 6.303 -21.400 1.00 0.00 WATA H ATOM 4783 OH2 TIP3A 328 -13.386 0.933 39.289 1.00 0.00 WATA O ATOM 4784 H1 TIP3A 328 -14.048 0.253 38.975 1.00 0.00 WATA H ATOM 4785 H2 TIP3A 328 -13.834 1.569 39.918 1.00 0.00 WATA H ATOM 4786 OH2 TIP3A 329 -2.006 -4.473 -45.360 1.00 0.00 WATA O ATOM 4787 H1 TIP3A 329 -2.405 -3.556 -45.330 1.00 0.00 WATA H ATOM 4788 H2 TIP3A 329 -2.675 -5.117 -45.728 1.00 0.00 WATA H ATOM 4789 OH2 TIP3A 330 13.848 26.286 45.186 1.00 0.00 WATA O ATOM 4790 H1 TIP3A 330 13.255 25.480 45.184 1.00 0.00 WATA H ATOM 4791 H2 TIP3A 330 13.287 27.113 45.180 1.00 0.00 WATA H ATOM 4792 OH2 TIP3A 331 -48.482 -17.947 -3.209 1.00 0.00 WATA O ATOM 4793 H1 TIP3A 331 -48.243 -17.207 -3.837 1.00 0.00 WATA H ATOM 4794 H2 TIP3A 331 -47.648 -18.336 -2.819 1.00 0.00 WATA H ATOM 4795 OH2 TIP3A 332 -36.027 12.840 -40.764 1.00 0.00 WATA O ATOM 4796 H1 TIP3A 332 -35.050 12.643 -40.844 1.00 0.00 WATA H ATOM 4797 H2 TIP3A 332 -36.549 11.996 -40.880 1.00 0.00 WATA H ATOM 4798 OH2 TIP3A 333 -40.873 1.459 -0.896 1.00 0.00 WATA O ATOM 4799 H1 TIP3A 333 -41.567 2.176 -0.838 1.00 0.00 WATA H ATOM 4800 H2 TIP3A 333 -41.311 0.587 -1.116 1.00 0.00 WATA H ATOM 4801 OH2 TIP3A 334 -22.677 7.296 -47.655 1.00 0.00 WATA O ATOM 4802 H1 TIP3A 334 -22.202 6.416 -47.674 1.00 0.00 WATA H ATOM 4803 H2 TIP3A 334 -23.552 7.213 -48.131 1.00 0.00 WATA H ATOM 4804 OH2 TIP3A 335 52.532 47.782 -21.612 1.00 0.00 WATA O ATOM 4805 H1 TIP3A 335 52.681 48.623 -22.133 1.00 0.00 WATA H ATOM 4806 H2 TIP3A 335 53.345 47.204 -21.673 1.00 0.00 WATA H ATOM 4807 OH2 TIP3A 336 -22.309 -23.404 -19.469 1.00 0.00 WATA O ATOM 4808 H1 TIP3A 336 -22.458 -24.320 -19.843 1.00 0.00 WATA H ATOM 4809 H2 TIP3A 336 -21.870 -22.830 -20.159 1.00 0.00 WATA H ATOM 4810 OH2 TIP3A 337 6.510 42.719 -9.056 1.00 0.00 WATA O ATOM 4811 H1 TIP3A 337 7.090 42.674 -9.870 1.00 0.00 WATA H ATOM 4812 H2 TIP3A 337 5.989 43.572 -9.064 1.00 0.00 WATA H ATOM 4813 OH2 TIP3A 338 4.297 25.214 29.923 1.00 0.00 WATA O ATOM 4814 H1 TIP3A 338 5.063 24.807 30.420 1.00 0.00 WATA H ATOM 4815 H2 TIP3A 338 4.200 24.767 29.034 1.00 0.00 WATA H ATOM 4816 OH2 TIP3A 339 18.751 52.655 -1.244 1.00 0.00 WATA O ATOM 4817 H1 TIP3A 339 17.925 52.945 -1.728 1.00 0.00 WATA H ATOM 4818 H2 TIP3A 339 18.728 51.665 -1.109 1.00 0.00 WATA H ATOM 4819 OH2 TIP3A 340 48.755 19.525 45.717 1.00 0.00 WATA O ATOM 4820 H1 TIP3A 340 49.494 20.198 45.694 1.00 0.00 WATA H ATOM 4821 H2 TIP3A 340 47.874 19.997 45.737 1.00 0.00 WATA H ATOM 4822 OH2 TIP3A 341 -48.796 -49.063 24.884 1.00 0.00 WATA O ATOM 4823 H1 TIP3A 341 -48.437 -49.372 24.003 1.00 0.00 WATA H ATOM 4824 H2 TIP3A 341 -49.727 -49.404 25.004 1.00 0.00 WATA H ATOM 4825 OH2 TIP3A 342 23.822 -17.762 21.771 1.00 0.00 WATA O ATOM 4826 H1 TIP3A 342 23.172 -18.373 21.318 1.00 0.00 WATA H ATOM 4827 H2 TIP3A 342 23.534 -16.814 21.641 1.00 0.00 WATA H ATOM 4828 OH2 TIP3A 343 -11.045 19.931 -44.301 1.00 0.00 WATA O ATOM 4829 H1 TIP3A 343 -12.031 19.761 -44.293 1.00 0.00 WATA H ATOM 4830 H2 TIP3A 343 -10.876 20.916 -44.305 1.00 0.00 WATA H ATOM 4831 OH2 TIP3A 344 37.130 48.877 23.569 1.00 0.00 WATA O ATOM 4832 H1 TIP3A 344 37.675 49.662 23.861 1.00 0.00 WATA H ATOM 4833 H2 TIP3A 344 36.162 49.061 23.737 1.00 0.00 WATA H ATOM 4834 OH2 TIP3A 345 -11.807 45.141 -6.565 1.00 0.00 WATA O ATOM 4835 H1 TIP3A 345 -11.271 45.984 -6.508 1.00 0.00 WATA H ATOM 4836 H2 TIP3A 345 -12.781 45.363 -6.558 1.00 0.00 WATA H ATOM 4837 OH2 TIP3A 346 26.003 -35.423 -20.470 1.00 0.00 WATA O ATOM 4838 H1 TIP3A 346 26.367 -36.283 -20.110 1.00 0.00 WATA H ATOM 4839 H2 TIP3A 346 25.400 -35.006 -19.791 1.00 0.00 WATA H ATOM 4840 OH2 TIP3A 347 -16.315 50.815 43.631 1.00 0.00 WATA O ATOM 4841 H1 TIP3A 347 -17.306 50.787 43.765 1.00 0.00 WATA H ATOM 4842 H2 TIP3A 347 -15.971 49.887 43.489 1.00 0.00 WATA H ATOM 4843 OH2 TIP3A 348 28.599 46.832 -10.364 1.00 0.00 WATA O ATOM 4844 H1 TIP3A 348 28.289 46.268 -11.130 1.00 0.00 WATA H ATOM 4845 H2 TIP3A 348 29.238 47.524 -10.697 1.00 0.00 WATA H ATOM 4846 OH2 TIP3A 349 -22.995 -17.677 8.472 1.00 0.00 WATA O ATOM 4847 H1 TIP3A 349 -22.457 -17.719 9.314 1.00 0.00 WATA H ATOM 4848 H2 TIP3A 349 -23.617 -16.895 8.512 1.00 0.00 WATA H ATOM 4849 OH2 TIP3A 350 18.185 -48.566 -32.202 1.00 0.00 WATA O ATOM 4850 H1 TIP3A 350 17.239 -48.826 -32.402 1.00 0.00 WATA H ATOM 4851 H2 TIP3A 350 18.735 -49.389 -32.068 1.00 0.00 WATA H ATOM 4852 OH2 TIP3A 351 31.037 6.256 42.252 1.00 0.00 WATA O ATOM 4853 H1 TIP3A 351 30.092 5.935 42.319 1.00 0.00 WATA H ATOM 4854 H2 TIP3A 351 31.645 5.476 42.110 1.00 0.00 WATA H ATOM 4855 OH2 TIP3A 352 -19.925 -7.638 49.328 1.00 0.00 WATA O ATOM 4856 H1 TIP3A 352 -19.153 -8.220 49.584 1.00 0.00 WATA H ATOM 4857 H2 TIP3A 352 -20.173 -7.053 50.100 1.00 0.00 WATA H ATOM 4858 OH2 TIP3A 353 12.645 42.928 -49.639 1.00 0.00 WATA O ATOM 4859 H1 TIP3A 353 11.690 42.938 -49.342 1.00 0.00 WATA H ATOM 4860 H2 TIP3A 353 12.690 42.705 -50.612 1.00 0.00 WATA H ATOM 4861 OH2 TIP3A 354 47.174 -41.115 6.864 1.00 0.00 WATA O ATOM 4862 H1 TIP3A 354 47.724 -40.312 7.093 1.00 0.00 WATA H ATOM 4863 H2 TIP3A 354 47.754 -41.928 6.864 1.00 0.00 WATA H ATOM 4864 OH2 TIP3A 355 -32.858 -10.612 -28.791 1.00 0.00 WATA O ATOM 4865 H1 TIP3A 355 -32.491 -9.828 -28.289 1.00 0.00 WATA H ATOM 4866 H2 TIP3A 355 -33.803 -10.424 -29.057 1.00 0.00 WATA H ATOM 4867 OH2 TIP3A 356 -21.712 23.379 2.113 1.00 0.00 WATA O ATOM 4868 H1 TIP3A 356 -22.040 23.265 3.051 1.00 0.00 WATA H ATOM 4869 H2 TIP3A 356 -21.731 22.496 1.644 1.00 0.00 WATA H ATOM 4870 OH2 TIP3A 357 27.036 49.317 -14.520 1.00 0.00 WATA O ATOM 4871 H1 TIP3A 357 27.734 49.416 -13.811 1.00 0.00 WATA H ATOM 4872 H2 TIP3A 357 26.881 50.200 -14.961 1.00 0.00 WATA H ATOM 4873 OH2 TIP3A 358 14.579 52.231 -13.347 1.00 0.00 WATA O ATOM 4874 H1 TIP3A 358 15.390 52.063 -13.907 1.00 0.00 WATA H ATOM 4875 H2 TIP3A 358 14.505 53.208 -13.151 1.00 0.00 WATA H ATOM 4876 OH2 TIP3A 359 -33.894 -50.922 37.219 1.00 0.00 WATA O ATOM 4877 H1 TIP3A 359 -34.496 -50.154 36.998 1.00 0.00 WATA H ATOM 4878 H2 TIP3A 359 -34.238 -51.752 36.783 1.00 0.00 WATA H ATOM 4879 OH2 TIP3A 360 -42.237 44.991 -52.073 1.00 0.00 WATA O ATOM 4880 H1 TIP3A 360 -42.546 44.378 -51.345 1.00 0.00 WATA H ATOM 4881 H2 TIP3A 360 -41.533 45.604 -51.716 1.00 0.00 WATA H ATOM 4882 OH2 TIP3A 361 44.865 27.642 -22.094 1.00 0.00 WATA O ATOM 4883 H1 TIP3A 361 45.045 26.914 -22.756 1.00 0.00 WATA H ATOM 4884 H2 TIP3A 361 45.020 27.297 -21.169 1.00 0.00 WATA H ATOM 4885 OH2 TIP3A 362 -51.150 -7.957 14.569 1.00 0.00 WATA O ATOM 4886 H1 TIP3A 362 -50.234 -7.598 14.391 1.00 0.00 WATA H ATOM 4887 H2 TIP3A 362 -51.789 -7.197 14.688 1.00 0.00 WATA H ATOM 4888 OH2 TIP3A 363 30.413 48.235 -25.630 1.00 0.00 WATA O ATOM 4889 H1 TIP3A 363 29.737 48.947 -25.440 1.00 0.00 WATA H ATOM 4890 H2 TIP3A 363 30.798 47.901 -24.770 1.00 0.00 WATA H ATOM 4891 OH2 TIP3A 364 -8.427 25.688 -23.554 1.00 0.00 WATA O ATOM 4892 H1 TIP3A 364 -8.519 26.079 -24.470 1.00 0.00 WATA H ATOM 4893 H2 TIP3A 364 -7.682 25.022 -23.549 1.00 0.00 WATA H ATOM 4894 OH2 TIP3A 365 -11.204 -37.797 38.291 1.00 0.00 WATA O ATOM 4895 H1 TIP3A 365 -12.068 -37.347 38.061 1.00 0.00 WATA H ATOM 4896 H2 TIP3A 365 -11.388 -38.722 38.622 1.00 0.00 WATA H ATOM 4897 OH2 TIP3A 366 27.087 -1.610 44.202 1.00 0.00 WATA O ATOM 4898 H1 TIP3A 366 26.251 -1.126 43.945 1.00 0.00 WATA H ATOM 4899 H2 TIP3A 366 26.964 -2.591 44.051 1.00 0.00 WATA H ATOM 4900 OH2 TIP3A 367 -37.880 14.934 -45.825 1.00 0.00 WATA O ATOM 4901 H1 TIP3A 367 -38.245 14.915 -44.894 1.00 0.00 WATA H ATOM 4902 H2 TIP3A 367 -38.376 14.277 -46.391 1.00 0.00 WATA H ATOM 4903 OH2 TIP3A 368 19.126 22.873 21.034 1.00 0.00 WATA O ATOM 4904 H1 TIP3A 368 18.310 22.762 20.466 1.00 0.00 WATA H ATOM 4905 H2 TIP3A 368 19.056 23.723 21.555 1.00 0.00 WATA H ATOM 4906 OH2 TIP3A 369 5.336 -40.120 -49.691 1.00 0.00 WATA O ATOM 4907 H1 TIP3A 369 6.118 -39.913 -49.101 1.00 0.00 WATA H ATOM 4908 H2 TIP3A 369 5.174 -41.106 -49.697 1.00 0.00 WATA H ATOM 4909 OH2 TIP3A 370 -52.661 -35.938 -13.187 1.00 0.00 WATA O ATOM 4910 H1 TIP3A 370 -51.695 -35.848 -12.942 1.00 0.00 WATA H ATOM 4911 H2 TIP3A 370 -52.774 -35.772 -14.166 1.00 0.00 WATA H ATOM 4912 OH2 TIP3A 371 -24.499 21.820 44.457 1.00 0.00 WATA O ATOM 4913 H1 TIP3A 371 -25.107 22.584 44.243 1.00 0.00 WATA H ATOM 4914 H2 TIP3A 371 -23.647 22.170 44.847 1.00 0.00 WATA H ATOM 4915 OH2 TIP3A 372 36.138 30.664 31.894 1.00 0.00 WATA O ATOM 4916 H1 TIP3A 372 36.345 29.685 31.914 1.00 0.00 WATA H ATOM 4917 H2 TIP3A 372 36.980 31.186 32.025 1.00 0.00 WATA H ATOM 4918 OH2 TIP3A 373 30.275 2.086 -50.452 1.00 0.00 WATA O ATOM 4919 H1 TIP3A 373 29.522 2.599 -50.866 1.00 0.00 WATA H ATOM 4920 H2 TIP3A 373 30.331 1.180 -50.870 1.00 0.00 WATA H ATOM 4921 OH2 TIP3A 374 -1.954 49.159 -22.098 1.00 0.00 WATA O ATOM 4922 H1 TIP3A 374 -2.153 49.402 -23.048 1.00 0.00 WATA H ATOM 4923 H2 TIP3A 374 -1.287 49.801 -21.722 1.00 0.00 WATA H ATOM 4924 OH2 TIP3A 375 36.020 46.082 -46.747 1.00 0.00 WATA O ATOM 4925 H1 TIP3A 375 35.921 46.658 -47.559 1.00 0.00 WATA H ATOM 4926 H2 TIP3A 375 35.121 45.760 -46.455 1.00 0.00 WATA H ATOM 4927 OH2 TIP3A 376 51.183 -28.447 37.914 1.00 0.00 WATA O ATOM 4928 H1 TIP3A 376 51.128 -27.644 38.508 1.00 0.00 WATA H ATOM 4929 H2 TIP3A 376 52.125 -28.567 37.602 1.00 0.00 WATA H ATOM 4930 OH2 TIP3A 377 26.262 -45.132 48.431 1.00 0.00 WATA O ATOM 4931 H1 TIP3A 377 25.789 -45.525 47.642 1.00 0.00 WATA H ATOM 4932 H2 TIP3A 377 27.180 -45.520 48.497 1.00 0.00 WATA H ATOM 4933 OH2 TIP3A 378 -48.212 -49.272 -39.555 1.00 0.00 WATA O ATOM 4934 H1 TIP3A 378 -48.413 -50.231 -39.753 1.00 0.00 WATA H ATOM 4935 H2 TIP3A 378 -49.063 -48.784 -39.365 1.00 0.00 WATA H ATOM 4936 OH2 TIP3A 379 -26.353 32.482 -30.972 1.00 0.00 WATA O ATOM 4937 H1 TIP3A 379 -26.053 33.251 -31.538 1.00 0.00 WATA H ATOM 4938 H2 TIP3A 379 -25.927 32.546 -30.070 1.00 0.00 WATA H ATOM 4939 OH2 TIP3A 380 -15.855 36.748 6.974 1.00 0.00 WATA O ATOM 4940 H1 TIP3A 380 -15.661 37.581 7.493 1.00 0.00 WATA H ATOM 4941 H2 TIP3A 380 -15.356 36.771 6.108 1.00 0.00 WATA H ATOM 4942 OH2 TIP3A 381 -51.419 -47.568 9.065 1.00 0.00 WATA O ATOM 4943 H1 TIP3A 381 -52.060 -46.828 8.859 1.00 0.00 WATA H ATOM 4944 H2 TIP3A 381 -51.920 -48.428 9.150 1.00 0.00 WATA H ATOM 4945 OH2 TIP3A 382 -16.279 14.068 41.522 1.00 0.00 WATA O ATOM 4946 H1 TIP3A 382 -16.939 14.784 41.754 1.00 0.00 WATA H ATOM 4947 H2 TIP3A 382 -16.768 13.238 41.255 1.00 0.00 WATA H ATOM 4948 OH2 TIP3A 383 -1.665 -39.290 -12.152 1.00 0.00 WATA O ATOM 4949 H1 TIP3A 383 -0.722 -39.518 -12.392 1.00 0.00 WATA H ATOM 4950 H2 TIP3A 383 -2.211 -40.127 -12.111 1.00 0.00 WATA H ATOM 4951 OH2 TIP3A 384 7.718 3.046 28.302 1.00 0.00 WATA O ATOM 4952 H1 TIP3A 384 7.935 3.391 29.215 1.00 0.00 WATA H ATOM 4953 H2 TIP3A 384 8.112 3.654 27.613 1.00 0.00 WATA H ATOM 4954 OH2 TIP3A 385 12.298 7.066 -32.331 1.00 0.00 WATA O ATOM 4955 H1 TIP3A 385 11.330 7.208 -32.127 1.00 0.00 WATA H ATOM 4956 H2 TIP3A 385 12.696 6.450 -31.652 1.00 0.00 WATA H ATOM 4957 OH2 TIP3A 386 -40.937 20.773 16.542 1.00 0.00 WATA O ATOM 4958 H1 TIP3A 386 -41.328 20.541 17.433 1.00 0.00 WATA H ATOM 4959 H2 TIP3A 386 -41.624 20.632 15.830 1.00 0.00 WATA H ATOM 4960 OH2 TIP3A 387 2.489 -21.133 36.972 1.00 0.00 WATA O ATOM 4961 H1 TIP3A 387 3.274 -20.542 36.782 1.00 0.00 WATA H ATOM 4962 H2 TIP3A 387 2.145 -20.944 37.891 1.00 0.00 WATA H ATOM 4963 OH2 TIP3A 388 53.345 32.616 25.142 1.00 0.00 WATA O ATOM 4964 H1 TIP3A 388 53.223 31.629 25.035 1.00 0.00 WATA H ATOM 4965 H2 TIP3A 388 53.254 32.860 26.107 1.00 0.00 WATA H ATOM 4966 OH2 TIP3A 389 7.274 33.057 -12.391 1.00 0.00 WATA O ATOM 4967 H1 TIP3A 389 6.365 33.473 -12.362 1.00 0.00 WATA H ATOM 4968 H2 TIP3A 389 7.970 33.775 -12.381 1.00 0.00 WATA H ATOM 4969 OH2 TIP3A 390 3.818 24.032 19.443 1.00 0.00 WATA O ATOM 4970 H1 TIP3A 390 3.748 24.919 19.901 1.00 0.00 WATA H ATOM 4971 H2 TIP3A 390 4.617 24.029 18.842 1.00 0.00 WATA H ATOM 4972 OH2 TIP3A 391 -47.053 4.766 -22.253 1.00 0.00 WATA O ATOM 4973 H1 TIP3A 391 -47.514 5.650 -22.174 1.00 0.00 WATA H ATOM 4974 H2 TIP3A 391 -46.064 4.899 -22.195 1.00 0.00 WATA H ATOM 4975 OH2 TIP3A 392 42.411 -25.890 14.173 1.00 0.00 WATA O ATOM 4976 H1 TIP3A 392 43.231 -25.558 13.705 1.00 0.00 WATA H ATOM 4977 H2 TIP3A 392 41.816 -25.118 14.393 1.00 0.00 WATA H ATOM 4978 OH2 TIP3A 393 -51.055 -4.705 14.651 1.00 0.00 WATA O ATOM 4979 H1 TIP3A 393 -51.980 -4.919 14.967 1.00 0.00 WATA H ATOM 4980 H2 TIP3A 393 -50.441 -5.460 14.879 1.00 0.00 WATA H ATOM 4981 OH2 TIP3A 394 40.938 -3.327 -10.904 1.00 0.00 WATA O ATOM 4982 H1 TIP3A 394 41.759 -2.878 -10.549 1.00 0.00 WATA H ATOM 4983 H2 TIP3A 394 41.021 -4.316 -10.786 1.00 0.00 WATA H ATOM 4984 OH2 TIP3A 395 -12.152 -22.211 -45.384 1.00 0.00 WATA O ATOM 4985 H1 TIP3A 395 -12.073 -23.078 -44.892 1.00 0.00 WATA H ATOM 4986 H2 TIP3A 395 -11.675 -22.279 -46.259 1.00 0.00 WATA H ATOM 4987 OH2 TIP3A 396 -3.129 -35.345 -14.182 1.00 0.00 WATA O ATOM 4988 H1 TIP3A 396 -3.829 -35.248 -13.474 1.00 0.00 WATA H ATOM 4989 H2 TIP3A 396 -2.224 -35.222 -13.776 1.00 0.00 WATA H ATOM 4990 OH2 TIP3A 397 -43.322 -23.029 2.184 1.00 0.00 WATA O ATOM 4991 H1 TIP3A 397 -42.629 -22.447 2.610 1.00 0.00 WATA H ATOM 4992 H2 TIP3A 397 -42.947 -23.443 1.355 1.00 0.00 WATA H ATOM 4993 OH2 TIP3A 398 30.182 14.359 -17.693 1.00 0.00 WATA O ATOM 4994 H1 TIP3A 398 29.572 15.152 -17.713 1.00 0.00 WATA H ATOM 4995 H2 TIP3A 398 30.202 13.931 -18.596 1.00 0.00 WATA H ATOM 4996 OH2 TIP3A 399 48.268 -9.975 15.387 1.00 0.00 WATA O ATOM 4997 H1 TIP3A 399 49.080 -9.410 15.235 1.00 0.00 WATA H ATOM 4998 H2 TIP3A 399 47.450 -9.402 15.342 1.00 0.00 WATA H ATOM 4999 OH2 TIP3A 400 -12.550 -36.940 -5.489 1.00 0.00 WATA O ATOM 5000 H1 TIP3A 400 -12.375 -37.925 -5.475 1.00 0.00 WATA H ATOM 5001 H2 TIP3A 400 -11.684 -36.449 -5.583 1.00 0.00 WATA H ATOM 5002 OH2 TIP3A 401 45.490 -40.867 27.960 1.00 0.00 WATA O ATOM 5003 H1 TIP3A 401 45.308 -40.239 27.203 1.00 0.00 WATA H ATOM 5004 H2 TIP3A 401 44.967 -40.581 28.763 1.00 0.00 WATA H ATOM 5005 OH2 TIP3A 402 20.500 -46.199 25.890 1.00 0.00 WATA O ATOM 5006 H1 TIP3A 402 19.888 -46.990 25.872 1.00 0.00 WATA H ATOM 5007 H2 TIP3A 402 21.356 -46.449 26.340 1.00 0.00 WATA H ATOM 5008 OH2 TIP3A 403 -3.036 34.743 -49.281 1.00 0.00 WATA O ATOM 5009 H1 TIP3A 403 -3.307 34.471 -50.205 1.00 0.00 WATA H ATOM 5010 H2 TIP3A 403 -3.673 35.431 -48.936 1.00 0.00 WATA H ATOM 5011 OH2 TIP3A 404 -42.369 5.696 49.980 1.00 0.00 WATA O ATOM 5012 H1 TIP3A 404 -42.033 4.817 49.641 1.00 0.00 WATA H ATOM 5013 H2 TIP3A 404 -42.239 5.744 50.969 1.00 0.00 WATA H ATOM 5014 OH2 TIP3A 405 16.467 -30.777 27.772 1.00 0.00 WATA O ATOM 5015 H1 TIP3A 405 16.097 -30.462 28.647 1.00 0.00 WATA H ATOM 5016 H2 TIP3A 405 16.779 -31.722 27.862 1.00 0.00 WATA H ATOM 5017 OH2 TIP3A 406 47.089 31.835 -28.299 1.00 0.00 WATA O ATOM 5018 H1 TIP3A 406 47.999 31.984 -27.912 1.00 0.00 WATA H ATOM 5019 H2 TIP3A 406 46.434 32.448 -27.858 1.00 0.00 WATA H ATOM 5020 OH2 TIP3A 407 -31.132 -27.636 -0.845 1.00 0.00 WATA O ATOM 5021 H1 TIP3A 407 -30.858 -28.594 -0.938 1.00 0.00 WATA H ATOM 5022 H2 TIP3A 407 -30.876 -27.303 0.062 1.00 0.00 WATA H ATOM 5023 OH2 TIP3A 408 -37.364 -3.318 46.767 1.00 0.00 WATA O ATOM 5024 H1 TIP3A 408 -38.024 -2.615 46.504 1.00 0.00 WATA H ATOM 5025 H2 TIP3A 408 -37.002 -3.114 47.676 1.00 0.00 WATA H ATOM 5026 OH2 TIP3A 409 15.357 21.823 -43.407 1.00 0.00 WATA O ATOM 5027 H1 TIP3A 409 15.429 22.759 -43.062 1.00 0.00 WATA H ATOM 5028 H2 TIP3A 409 16.200 21.327 -43.201 1.00 0.00 WATA H ATOM 5029 OH2 TIP3A 410 -22.226 -22.710 -51.420 1.00 0.00 WATA O ATOM 5030 H1 TIP3A 410 -23.065 -22.305 -51.056 1.00 0.00 WATA H ATOM 5031 H2 TIP3A 410 -21.845 -22.112 -52.125 1.00 0.00 WATA H ATOM 5032 OH2 TIP3A 411 -49.489 20.539 2.674 1.00 0.00 WATA O ATOM 5033 H1 TIP3A 411 -50.238 19.947 2.972 1.00 0.00 WATA H ATOM 5034 H2 TIP3A 411 -48.719 19.978 2.374 1.00 0.00 WATA H ATOM 5035 OH2 TIP3A 412 -41.983 -7.472 42.845 1.00 0.00 WATA O ATOM 5036 H1 TIP3A 412 -42.242 -7.212 43.775 1.00 0.00 WATA H ATOM 5037 H2 TIP3A 412 -42.796 -7.487 42.264 1.00 0.00 WATA H ATOM 5038 OH2 TIP3A 413 46.304 49.464 -36.700 1.00 0.00 WATA O ATOM 5039 H1 TIP3A 413 46.346 50.457 -36.812 1.00 0.00 WATA H ATOM 5040 H2 TIP3A 413 45.396 49.204 -36.373 1.00 0.00 WATA H ATOM 5041 OH2 TIP3A 414 35.024 15.153 26.940 1.00 0.00 WATA O ATOM 5042 H1 TIP3A 414 34.908 14.336 26.374 1.00 0.00 WATA H ATOM 5043 H2 TIP3A 414 34.216 15.276 27.516 1.00 0.00 WATA H ATOM 5044 OH2 TIP3A 415 -16.151 -34.132 -39.108 1.00 0.00 WATA O ATOM 5045 H1 TIP3A 415 -17.010 -33.622 -39.168 1.00 0.00 WATA H ATOM 5046 H2 TIP3A 415 -16.347 -35.110 -39.047 1.00 0.00 WATA H ATOM 5047 OH2 TIP3A 416 12.274 -42.146 -15.430 1.00 0.00 WATA O ATOM 5048 H1 TIP3A 416 12.458 -42.421 -14.486 1.00 0.00 WATA H ATOM 5049 H2 TIP3A 416 13.122 -42.176 -15.958 1.00 0.00 WATA H ATOM 5050 OH2 TIP3A 417 34.728 -31.456 -48.897 1.00 0.00 WATA O ATOM 5051 H1 TIP3A 417 35.599 -31.903 -49.099 1.00 0.00 WATA H ATOM 5052 H2 TIP3A 417 33.977 -32.087 -49.088 1.00 0.00 WATA H ATOM 5053 OH2 TIP3A 418 31.726 15.987 28.434 1.00 0.00 WATA O ATOM 5054 H1 TIP3A 418 32.362 16.755 28.358 1.00 0.00 WATA H ATOM 5055 H2 TIP3A 418 32.044 15.233 27.861 1.00 0.00 WATA H ATOM 5056 OH2 TIP3A 419 40.136 -39.300 15.103 1.00 0.00 WATA O ATOM 5057 H1 TIP3A 419 39.919 -40.276 15.104 1.00 0.00 WATA H ATOM 5058 H2 TIP3A 419 39.302 -38.772 15.263 1.00 0.00 WATA H ATOM 5059 OH2 TIP3A 420 32.457 6.265 44.343 1.00 0.00 WATA O ATOM 5060 H1 TIP3A 420 31.826 6.325 45.116 1.00 0.00 WATA H ATOM 5061 H2 TIP3A 420 32.587 5.307 44.090 1.00 0.00 WATA H ATOM 5062 OH2 TIP3A 421 -45.386 -13.067 -15.561 1.00 0.00 WATA O ATOM 5063 H1 TIP3A 421 -46.222 -12.518 -15.520 1.00 0.00 WATA H ATOM 5064 H2 TIP3A 421 -44.592 -12.462 -15.611 1.00 0.00 WATA H ATOM 5065 OH2 TIP3A 422 25.588 -49.223 48.495 1.00 0.00 WATA O ATOM 5066 H1 TIP3A 422 24.839 -49.693 48.028 1.00 0.00 WATA H ATOM 5067 H2 TIP3A 422 26.087 -49.874 49.065 1.00 0.00 WATA H ATOM 5068 OH2 TIP3A 423 25.051 35.172 32.050 1.00 0.00 WATA O ATOM 5069 H1 TIP3A 423 25.169 35.703 32.890 1.00 0.00 WATA H ATOM 5070 H2 TIP3A 423 24.800 35.785 31.301 1.00 0.00 WATA H ATOM 5071 OH2 TIP3A 424 45.314 37.276 -19.652 1.00 0.00 WATA O ATOM 5072 H1 TIP3A 424 44.786 37.923 -20.203 1.00 0.00 WATA H ATOM 5073 H2 TIP3A 424 44.787 36.436 -19.527 1.00 0.00 WATA H ATOM 5074 OH2 TIP3A 425 10.389 -39.540 -33.040 1.00 0.00 WATA O ATOM 5075 H1 TIP3A 425 10.261 -39.598 -34.031 1.00 0.00 WATA H ATOM 5076 H2 TIP3A 425 10.933 -38.731 -32.821 1.00 0.00 WATA H ATOM 5077 OH2 TIP3A 426 27.339 27.792 -39.861 1.00 0.00 WATA O ATOM 5078 H1 TIP3A 426 27.820 28.371 -39.202 1.00 0.00 WATA H ATOM 5079 H2 TIP3A 426 27.274 26.862 -39.502 1.00 0.00 WATA H ATOM 5080 OH2 TIP3A 427 -36.518 -10.849 13.184 1.00 0.00 WATA O ATOM 5081 H1 TIP3A 427 -36.412 -9.871 13.005 1.00 0.00 WATA H ATOM 5082 H2 TIP3A 427 -36.043 -11.087 14.030 1.00 0.00 WATA H ATOM 5083 OH2 TIP3A 428 12.393 26.158 -32.160 1.00 0.00 WATA O ATOM 5084 H1 TIP3A 428 13.023 25.420 -31.918 1.00 0.00 WATA H ATOM 5085 H2 TIP3A 428 11.484 25.779 -32.332 1.00 0.00 WATA H ATOM 5086 OH2 TIP3A 429 -44.243 -10.441 -13.410 1.00 0.00 WATA O ATOM 5087 H1 TIP3A 429 -43.957 -9.560 -13.032 1.00 0.00 WATA H ATOM 5088 H2 TIP3A 429 -44.682 -10.984 -12.696 1.00 0.00 WATA H ATOM 5089 OH2 TIP3A 430 16.385 2.964 19.591 1.00 0.00 WATA O ATOM 5090 H1 TIP3A 430 15.661 3.265 20.213 1.00 0.00 WATA H ATOM 5091 H2 TIP3A 430 16.457 1.968 19.619 1.00 0.00 WATA H ATOM 5092 OH2 TIP3A 431 44.513 -0.791 -32.505 1.00 0.00 WATA O ATOM 5093 H1 TIP3A 431 44.423 0.188 -32.686 1.00 0.00 WATA H ATOM 5094 H2 TIP3A 431 44.918 -0.928 -31.602 1.00 0.00 WATA H ATOM 5095 OH2 TIP3A 432 -14.004 18.833 53.321 1.00 0.00 WATA O ATOM 5096 H1 TIP3A 432 -13.521 19.708 53.330 1.00 0.00 WATA H ATOM 5097 H2 TIP3A 432 -14.990 18.995 53.345 1.00 0.00 WATA H ATOM 5098 OH2 TIP3A 433 -15.878 3.197 44.782 1.00 0.00 WATA O ATOM 5099 H1 TIP3A 433 -16.664 2.697 45.148 1.00 0.00 WATA H ATOM 5100 H2 TIP3A 433 -15.065 2.982 45.321 1.00 0.00 WATA H ATOM 5101 OH2 TIP3A 434 31.407 -22.361 -36.923 1.00 0.00 WATA O ATOM 5102 H1 TIP3A 434 32.383 -22.581 -36.904 1.00 0.00 WATA H ATOM 5103 H2 TIP3A 434 31.289 -21.370 -36.972 1.00 0.00 WATA H ATOM 5104 OH2 TIP3A 435 33.913 20.904 -44.799 1.00 0.00 WATA O ATOM 5105 H1 TIP3A 435 34.566 21.622 -44.558 1.00 0.00 WATA H ATOM 5106 H2 TIP3A 435 33.047 21.318 -45.074 1.00 0.00 WATA H ATOM 5107 OH2 TIP3A 436 11.569 -25.250 46.450 1.00 0.00 WATA O ATOM 5108 H1 TIP3A 436 11.785 -25.894 45.716 1.00 0.00 WATA H ATOM 5109 H2 TIP3A 436 10.613 -24.968 46.375 1.00 0.00 WATA H ATOM 5110 OH2 TIP3A 437 23.979 -8.117 34.064 1.00 0.00 WATA O ATOM 5111 H1 TIP3A 437 24.796 -7.541 34.041 1.00 0.00 WATA H ATOM 5112 H2 TIP3A 437 23.607 -8.206 33.141 1.00 0.00 WATA H ATOM 5113 OH2 TIP3A 438 37.975 -15.718 11.264 1.00 0.00 WATA O ATOM 5114 H1 TIP3A 438 38.796 -15.215 10.990 1.00 0.00 WATA H ATOM 5115 H2 TIP3A 438 38.229 -16.645 11.540 1.00 0.00 WATA H ATOM 5116 OH2 TIP3A 439 33.057 52.233 -30.030 1.00 0.00 WATA O ATOM 5117 H1 TIP3A 439 32.222 51.863 -30.437 1.00 0.00 WATA H ATOM 5118 H2 TIP3A 439 33.852 51.768 -30.419 1.00 0.00 WATA H ATOM 5119 OH2 TIP3A 440 13.566 3.799 -32.581 1.00 0.00 WATA O ATOM 5120 H1 TIP3A 440 14.443 3.415 -32.291 1.00 0.00 WATA H ATOM 5121 H2 TIP3A 440 12.873 3.609 -31.886 1.00 0.00 WATA H ATOM 5122 OH2 TIP3A 441 -1.503 25.677 19.130 1.00 0.00 WATA O ATOM 5123 H1 TIP3A 441 -0.768 26.240 18.751 1.00 0.00 WATA H ATOM 5124 H2 TIP3A 441 -2.259 25.632 18.477 1.00 0.00 WATA H ATOM 5125 OH2 TIP3A 442 -6.012 -48.394 -2.437 1.00 0.00 WATA O ATOM 5126 H1 TIP3A 442 -6.274 -49.358 -2.381 1.00 0.00 WATA H ATOM 5127 H2 TIP3A 442 -5.018 -48.322 -2.509 1.00 0.00 WATA H ATOM 5128 OH2 TIP3A 443 -1.579 -52.596 48.588 1.00 0.00 WATA O ATOM 5129 H1 TIP3A 443 -1.698 -53.345 49.240 1.00 0.00 WATA H ATOM 5130 H2 TIP3A 443 -2.467 -52.183 48.389 1.00 0.00 WATA H ATOM 5131 OH2 TIP3A 444 21.680 -13.487 33.124 1.00 0.00 WATA O ATOM 5132 H1 TIP3A 444 22.073 -12.617 32.825 1.00 0.00 WATA H ATOM 5133 H2 TIP3A 444 20.683 -13.435 33.084 1.00 0.00 WATA H ATOM 5134 OH2 TIP3A 445 -43.309 -46.394 39.514 1.00 0.00 WATA O ATOM 5135 H1 TIP3A 445 -44.005 -47.104 39.623 1.00 0.00 WATA H ATOM 5136 H2 TIP3A 445 -43.561 -45.593 40.056 1.00 0.00 WATA H ATOM 5137 OH2 TIP3A 446 -10.782 45.890 0.660 1.00 0.00 WATA O ATOM 5138 H1 TIP3A 446 -11.226 45.074 1.031 1.00 0.00 WATA H ATOM 5139 H2 TIP3A 446 -10.468 45.704 -0.270 1.00 0.00 WATA H ATOM 5140 OH2 TIP3A 447 -3.246 -34.500 19.948 1.00 0.00 WATA O ATOM 5141 H1 TIP3A 447 -4.042 -33.903 20.048 1.00 0.00 WATA H ATOM 5142 H2 TIP3A 447 -2.449 -33.955 19.690 1.00 0.00 WATA H ATOM 5143 OH2 TIP3A 448 31.485 -8.413 -24.636 1.00 0.00 WATA O ATOM 5144 H1 TIP3A 448 31.191 -7.949 -25.472 1.00 0.00 WATA H ATOM 5145 H2 TIP3A 448 31.584 -9.391 -24.814 1.00 0.00 WATA H ATOM 5146 OH2 TIP3A 449 -39.019 -38.079 13.611 1.00 0.00 WATA O ATOM 5147 H1 TIP3A 449 -39.706 -37.469 14.007 1.00 0.00 WATA H ATOM 5148 H2 TIP3A 449 -39.374 -39.013 13.590 1.00 0.00 WATA H ATOM 5149 OH2 TIP3A 450 -19.352 50.166 31.004 1.00 0.00 WATA O ATOM 5150 H1 TIP3A 450 -18.718 50.940 31.004 1.00 0.00 WATA H ATOM 5151 H2 TIP3A 450 -18.835 49.311 30.998 1.00 0.00 WATA H ATOM 5152 OH2 TIP3A 451 12.628 -53.345 21.510 1.00 0.00 WATA O ATOM 5153 H1 TIP3A 451 13.043 -52.478 21.788 1.00 0.00 WATA H ATOM 5154 H2 TIP3A 451 11.795 -53.164 20.989 1.00 0.00 WATA H ATOM 5155 OH2 TIP3A 452 -22.547 14.133 -17.889 1.00 0.00 WATA O ATOM 5156 H1 TIP3A 452 -22.261 14.944 -18.400 1.00 0.00 WATA H ATOM 5157 H2 TIP3A 452 -23.444 14.296 -17.479 1.00 0.00 WATA H ATOM 5158 OH2 TIP3A 453 -27.452 23.024 -52.739 1.00 0.00 WATA O ATOM 5159 H1 TIP3A 453 -26.480 23.186 -52.910 1.00 0.00 WATA H ATOM 5160 H2 TIP3A 453 -27.906 23.894 -52.551 1.00 0.00 WATA H ATOM 5161 OH2 TIP3A 454 30.590 31.001 39.958 1.00 0.00 WATA O ATOM 5162 H1 TIP3A 454 31.121 30.322 40.465 1.00 0.00 WATA H ATOM 5163 H2 TIP3A 454 29.701 30.615 39.712 1.00 0.00 WATA H ATOM 5164 OH2 TIP3A 455 31.680 1.486 29.951 1.00 0.00 WATA O ATOM 5165 H1 TIP3A 455 31.937 2.425 29.721 1.00 0.00 WATA H ATOM 5166 H2 TIP3A 455 30.774 1.482 30.373 1.00 0.00 WATA H ATOM 5167 OH2 TIP3A 456 43.700 -11.806 -26.911 1.00 0.00 WATA O ATOM 5168 H1 TIP3A 456 44.197 -11.002 -27.237 1.00 0.00 WATA H ATOM 5169 H2 TIP3A 456 44.342 -12.555 -26.754 1.00 0.00 WATA H ATOM 5170 OH2 TIP3A 457 -36.020 -35.355 15.605 1.00 0.00 WATA O ATOM 5171 H1 TIP3A 457 -35.614 -35.168 16.500 1.00 0.00 WATA H ATOM 5172 H2 TIP3A 457 -36.846 -34.805 15.491 1.00 0.00 WATA H ATOM 5173 OH2 TIP3A 458 -19.365 -18.153 -34.147 1.00 0.00 WATA O ATOM 5174 H1 TIP3A 458 -18.403 -18.207 -34.416 1.00 0.00 WATA H ATOM 5175 H2 TIP3A 458 -19.445 -18.306 -33.163 1.00 0.00 WATA H ATOM 5176 OH2 TIP3A 459 -11.050 34.379 -39.448 1.00 0.00 WATA O ATOM 5177 H1 TIP3A 459 -10.794 35.182 -38.911 1.00 0.00 WATA H ATOM 5178 H2 TIP3A 459 -12.041 34.367 -39.580 1.00 0.00 WATA H ATOM 5179 OH2 TIP3A 460 -15.230 37.873 41.751 1.00 0.00 WATA O ATOM 5180 H1 TIP3A 460 -15.537 37.095 41.202 1.00 0.00 WATA H ATOM 5181 H2 TIP3A 460 -14.262 38.046 41.572 1.00 0.00 WATA H ATOM 5182 OH2 TIP3A 461 -22.794 -32.569 -2.365 1.00 0.00 WATA O ATOM 5183 H1 TIP3A 461 -23.726 -32.832 -2.612 1.00 0.00 WATA H ATOM 5184 H2 TIP3A 461 -22.693 -31.578 -2.450 1.00 0.00 WATA H ATOM 5185 OH2 TIP3A 462 -18.171 -50.092 28.644 1.00 0.00 WATA O ATOM 5186 H1 TIP3A 462 -19.108 -49.911 28.344 1.00 0.00 WATA H ATOM 5187 H2 TIP3A 462 -18.074 -49.838 29.606 1.00 0.00 WATA H ATOM 5188 OH2 TIP3A 463 39.255 34.483 25.819 1.00 0.00 WATA O ATOM 5189 H1 TIP3A 463 38.837 34.495 26.728 1.00 0.00 WATA H ATOM 5190 H2 TIP3A 463 38.996 35.310 25.322 1.00 0.00 WATA H ATOM 5191 OH2 TIP3A 464 0.774 -33.347 -3.748 1.00 0.00 WATA O ATOM 5192 H1 TIP3A 464 1.285 -33.674 -2.953 1.00 0.00 WATA H ATOM 5193 H2 TIP3A 464 1.259 -32.578 -4.163 1.00 0.00 WATA H ATOM 5194 OH2 TIP3A 465 12.485 -27.763 7.722 1.00 0.00 WATA O ATOM 5195 H1 TIP3A 465 12.870 -26.899 8.046 1.00 0.00 WATA H ATOM 5196 H2 TIP3A 465 13.225 -28.408 7.534 1.00 0.00 WATA H ATOM 5197 OH2 TIP3A 466 19.209 -24.805 -24.813 1.00 0.00 WATA O ATOM 5198 H1 TIP3A 466 19.969 -25.339 -25.185 1.00 0.00 WATA H ATOM 5199 H2 TIP3A 466 18.351 -25.294 -24.968 1.00 0.00 WATA H ATOM 5200 OH2 TIP3A 467 -13.592 53.345 -31.036 1.00 0.00 WATA O ATOM 5201 H1 TIP3A 467 -14.018 53.307 -31.940 1.00 0.00 WATA H ATOM 5202 H2 TIP3A 467 -13.891 52.561 -30.493 1.00 0.00 WATA H ATOM 5203 OH2 TIP3A 468 19.555 -2.686 -51.531 1.00 0.00 WATA O ATOM 5204 H1 TIP3A 468 19.006 -3.027 -50.767 1.00 0.00 WATA H ATOM 5205 H2 TIP3A 468 19.907 -1.777 -51.310 1.00 0.00 WATA H ATOM 5206 OH2 TIP3A 469 22.676 19.719 31.482 1.00 0.00 WATA O ATOM 5207 H1 TIP3A 469 22.806 20.522 30.900 1.00 0.00 WATA H ATOM 5208 H2 TIP3A 469 22.824 18.889 30.945 1.00 0.00 WATA H ATOM 5209 OH2 TIP3A 470 27.731 -22.629 13.209 1.00 0.00 WATA O ATOM 5210 H1 TIP3A 470 27.458 -22.133 12.385 1.00 0.00 WATA H ATOM 5211 H2 TIP3A 470 28.215 -22.009 13.827 1.00 0.00 WATA H ATOM 5212 OH2 TIP3A 471 -52.053 32.565 11.044 1.00 0.00 WATA O ATOM 5213 H1 TIP3A 471 -53.043 32.539 10.909 1.00 0.00 WATA H ATOM 5214 H2 TIP3A 471 -51.668 31.660 10.865 1.00 0.00 WATA H ATOM 5215 OH2 TIP3A 472 -30.040 5.664 -50.572 1.00 0.00 WATA O ATOM 5216 H1 TIP3A 472 -29.738 6.296 -49.857 1.00 0.00 WATA H ATOM 5217 H2 TIP3A 472 -29.261 5.413 -51.146 1.00 0.00 WATA H ATOM 5218 OH2 TIP3A 473 10.508 -12.916 35.657 1.00 0.00 WATA O ATOM 5219 H1 TIP3A 473 10.142 -12.968 34.727 1.00 0.00 WATA H ATOM 5220 H2 TIP3A 473 11.493 -12.748 35.619 1.00 0.00 WATA H ATOM 5221 OH2 TIP3A 474 -19.242 -0.833 -30.687 1.00 0.00 WATA O ATOM 5222 H1 TIP3A 474 -18.553 -1.439 -31.084 1.00 0.00 WATA H ATOM 5223 H2 TIP3A 474 -20.152 -1.215 -30.845 1.00 0.00 WATA H ATOM 5224 OH2 TIP3A 475 -0.745 -47.938 18.319 1.00 0.00 WATA O ATOM 5225 H1 TIP3A 475 -1.021 -48.887 18.161 1.00 0.00 WATA H ATOM 5226 H2 TIP3A 475 -1.559 -47.369 18.435 1.00 0.00 WATA H ATOM 5227 OH2 TIP3A 476 -38.605 3.260 -31.577 1.00 0.00 WATA O ATOM 5228 H1 TIP3A 476 -38.882 4.205 -31.754 1.00 0.00 WATA H ATOM 5229 H2 TIP3A 476 -38.189 2.874 -32.399 1.00 0.00 WATA H ATOM 5230 OH2 TIP3A 477 32.866 -27.876 16.508 1.00 0.00 WATA O ATOM 5231 H1 TIP3A 477 33.597 -27.311 16.124 1.00 0.00 WATA H ATOM 5232 H2 TIP3A 477 32.570 -27.490 17.381 1.00 0.00 WATA H ATOM 5233 OH2 TIP3A 478 -1.655 33.193 43.822 1.00 0.00 WATA O ATOM 5234 H1 TIP3A 478 -2.036 32.878 44.692 1.00 0.00 WATA H ATOM 5235 H2 TIP3A 478 -0.657 33.150 43.860 1.00 0.00 WATA H ATOM 5236 OH2 TIP3A 479 22.943 16.423 34.968 1.00 0.00 WATA O ATOM 5237 H1 TIP3A 479 23.743 15.869 35.200 1.00 0.00 WATA H ATOM 5238 H2 TIP3A 479 23.068 17.351 35.315 1.00 0.00 WATA H ATOM 5239 OH2 TIP3A 480 1.767 -31.887 19.943 1.00 0.00 WATA O ATOM 5240 H1 TIP3A 480 0.953 -32.376 19.627 1.00 0.00 WATA H ATOM 5241 H2 TIP3A 480 2.499 -32.541 20.126 1.00 0.00 WATA H ATOM 5242 OH2 TIP3A 481 26.338 -14.419 -2.401 1.00 0.00 WATA O ATOM 5243 H1 TIP3A 481 25.969 -13.544 -2.087 1.00 0.00 WATA H ATOM 5244 H2 TIP3A 481 25.600 -14.976 -2.780 1.00 0.00 WATA H ATOM 5245 OH2 TIP3A 482 33.866 31.511 -27.156 1.00 0.00 WATA O ATOM 5246 H1 TIP3A 482 32.867 31.544 -27.183 1.00 0.00 WATA H ATOM 5247 H2 TIP3A 482 34.232 32.441 -27.196 1.00 0.00 WATA H ATOM 5248 OH2 TIP3A 483 -35.646 -30.141 36.996 1.00 0.00 WATA O ATOM 5249 H1 TIP3A 483 -35.216 -30.267 36.101 1.00 0.00 WATA H ATOM 5250 H2 TIP3A 483 -35.740 -29.165 37.187 1.00 0.00 WATA H ATOM 5251 OH2 TIP3A 484 2.610 -47.873 24.940 1.00 0.00 WATA O ATOM 5252 H1 TIP3A 484 2.910 -48.811 24.765 1.00 0.00 WATA H ATOM 5253 H2 TIP3A 484 3.290 -47.405 25.503 1.00 0.00 WATA H ATOM 5254 OH2 TIP3A 485 -48.527 -19.309 21.911 1.00 0.00 WATA O ATOM 5255 H1 TIP3A 485 -48.642 -20.262 22.195 1.00 0.00 WATA H ATOM 5256 H2 TIP3A 485 -49.225 -18.744 22.349 1.00 0.00 WATA H ATOM 5257 OH2 TIP3A 486 47.567 -37.432 -18.774 1.00 0.00 WATA O ATOM 5258 H1 TIP3A 486 47.379 -36.452 -18.845 1.00 0.00 WATA H ATOM 5259 H2 TIP3A 486 48.468 -37.628 -19.161 1.00 0.00 WATA H ATOM 5260 OH2 TIP3A 487 -33.948 -50.508 -9.110 1.00 0.00 WATA O ATOM 5261 H1 TIP3A 487 -33.666 -49.621 -8.745 1.00 0.00 WATA H ATOM 5262 H2 TIP3A 487 -33.138 -51.047 -9.340 1.00 0.00 WATA H ATOM 5263 OH2 TIP3A 488 -43.148 -14.725 -25.466 1.00 0.00 WATA O ATOM 5264 H1 TIP3A 488 -42.221 -14.466 -25.196 1.00 0.00 WATA H ATOM 5265 H2 TIP3A 488 -43.141 -15.056 -26.410 1.00 0.00 WATA H ATOM 5266 OH2 TIP3A 489 24.944 -41.380 28.374 1.00 0.00 WATA O ATOM 5267 H1 TIP3A 489 25.372 -42.275 28.248 1.00 0.00 WATA H ATOM 5268 H2 TIP3A 489 23.961 -41.454 28.213 1.00 0.00 WATA H ATOM 5269 OH2 TIP3A 490 8.096 -19.917 -31.960 1.00 0.00 WATA O ATOM 5270 H1 TIP3A 490 8.105 -20.283 -31.030 1.00 0.00 WATA H ATOM 5271 H2 TIP3A 490 8.992 -20.055 -32.382 1.00 0.00 WATA H ATOM 5272 OH2 TIP3A 491 -29.935 -10.580 -14.488 1.00 0.00 WATA O ATOM 5273 H1 TIP3A 491 -29.268 -10.911 -15.156 1.00 0.00 WATA H ATOM 5274 H2 TIP3A 491 -29.538 -9.825 -13.967 1.00 0.00 WATA H ATOM 5275 OH2 TIP3A 492 -43.808 32.733 39.674 1.00 0.00 WATA O ATOM 5276 H1 TIP3A 492 -43.499 33.373 38.970 1.00 0.00 WATA H ATOM 5277 H2 TIP3A 492 -44.695 32.354 39.413 1.00 0.00 WATA H ATOM 5278 OH2 TIP3A 493 34.408 -36.086 34.134 1.00 0.00 WATA O ATOM 5279 H1 TIP3A 493 34.090 -35.160 33.929 1.00 0.00 WATA H ATOM 5280 H2 TIP3A 493 35.395 -36.074 34.288 1.00 0.00 WATA H ATOM 5281 OH2 TIP3A 494 29.826 15.848 3.093 1.00 0.00 WATA O ATOM 5282 H1 TIP3A 494 28.958 16.253 2.807 1.00 0.00 WATA H ATOM 5283 H2 TIP3A 494 30.054 15.085 2.488 1.00 0.00 WATA H ATOM 5284 OH2 TIP3A 495 -39.013 28.789 45.675 1.00 0.00 WATA O ATOM 5285 H1 TIP3A 495 -38.261 29.055 45.071 1.00 0.00 WATA H ATOM 5286 H2 TIP3A 495 -39.385 27.911 45.376 1.00 0.00 WATA H ATOM 5287 OH2 TIP3A 496 22.155 -43.257 27.949 1.00 0.00 WATA O ATOM 5288 H1 TIP3A 496 23.120 -43.483 28.081 1.00 0.00 WATA H ATOM 5289 H2 TIP3A 496 21.635 -44.096 27.793 1.00 0.00 WATA H ATOM 5290 OH2 TIP3A 497 38.256 11.180 -47.564 1.00 0.00 WATA O ATOM 5291 H1 TIP3A 497 38.341 12.087 -47.976 1.00 0.00 WATA H ATOM 5292 H2 TIP3A 497 37.817 10.559 -48.212 1.00 0.00 WATA H ATOM 5293 OH2 TIP3A 498 21.431 -50.711 -50.761 1.00 0.00 WATA O ATOM 5294 H1 TIP3A 498 20.886 -49.959 -50.389 1.00 0.00 WATA H ATOM 5295 H2 TIP3A 498 22.083 -50.353 -51.429 1.00 0.00 WATA H ATOM 5296 OH2 TIP3A 499 47.423 -35.722 -6.977 1.00 0.00 WATA O ATOM 5297 H1 TIP3A 499 46.585 -35.176 -6.995 1.00 0.00 WATA H ATOM 5298 H2 TIP3A 499 48.216 -35.116 -6.931 1.00 0.00 WATA H ATOM 5299 OH2 TIP3A 500 7.251 -17.516 40.880 1.00 0.00 WATA O ATOM 5300 H1 TIP3A 500 6.734 -18.016 40.185 1.00 0.00 WATA H ATOM 5301 H2 TIP3A 500 6.620 -17.001 41.459 1.00 0.00 WATA H ATOM 5302 OH2 TIP3A 501 -49.722 33.031 11.662 1.00 0.00 WATA O ATOM 5303 H1 TIP3A 501 -49.652 33.429 12.577 1.00 0.00 WATA H ATOM 5304 H2 TIP3A 501 -49.671 32.035 11.726 1.00 0.00 WATA H ATOM 5305 OH2 TIP3A 502 -7.069 -42.275 1.421 1.00 0.00 WATA O ATOM 5306 H1 TIP3A 502 -7.388 -41.344 1.602 1.00 0.00 WATA H ATOM 5307 H2 TIP3A 502 -7.820 -42.818 1.047 1.00 0.00 WATA H ATOM 5308 OH2 TIP3A 503 -18.481 17.936 15.127 1.00 0.00 WATA O ATOM 5309 H1 TIP3A 503 -18.942 17.705 15.984 1.00 0.00 WATA H ATOM 5310 H2 TIP3A 503 -18.506 18.925 14.991 1.00 0.00 WATA H ATOM 5311 OH2 TIP3A 504 -28.732 -24.267 -4.254 1.00 0.00 WATA O ATOM 5312 H1 TIP3A 504 -29.603 -23.783 -4.162 1.00 0.00 WATA H ATOM 5313 H2 TIP3A 504 -28.338 -24.420 -3.348 1.00 0.00 WATA H ATOM 5314 OH2 TIP3A 505 -45.486 40.415 41.315 1.00 0.00 WATA O ATOM 5315 H1 TIP3A 505 -45.948 40.684 40.470 1.00 0.00 WATA H ATOM 5316 H2 TIP3A 505 -44.616 39.976 41.094 1.00 0.00 WATA H ATOM 5317 OH2 TIP3A 506 -52.214 -38.647 -45.336 1.00 0.00 WATA O ATOM 5318 H1 TIP3A 506 -52.563 -39.571 -45.494 1.00 0.00 WATA H ATOM 5319 H2 TIP3A 506 -52.817 -37.983 -45.776 1.00 0.00 WATA H ATOM 5320 OH2 TIP3A 507 -52.351 28.732 -12.535 1.00 0.00 WATA O ATOM 5321 H1 TIP3A 507 -52.114 27.761 -12.573 1.00 0.00 WATA H ATOM 5322 H2 TIP3A 507 -53.345 28.833 -12.528 1.00 0.00 WATA H ATOM 5323 OH2 TIP3A 508 -39.880 40.214 34.599 1.00 0.00 WATA O ATOM 5324 H1 TIP3A 508 -40.863 40.028 34.594 1.00 0.00 WATA H ATOM 5325 H2 TIP3A 508 -39.597 40.485 35.518 1.00 0.00 WATA H ATOM 5326 OH2 TIP3A 509 -7.090 43.304 -29.731 1.00 0.00 WATA O ATOM 5327 H1 TIP3A 509 -7.166 43.352 -30.727 1.00 0.00 WATA H ATOM 5328 H2 TIP3A 509 -7.617 42.525 -29.393 1.00 0.00 WATA H ATOM 5329 OH2 TIP3A 510 15.126 -47.327 -6.221 1.00 0.00 WATA O ATOM 5330 H1 TIP3A 510 14.596 -46.491 -6.077 1.00 0.00 WATA H ATOM 5331 H2 TIP3A 510 16.063 -47.089 -6.473 1.00 0.00 WATA H ATOM 5332 OH2 TIP3A 511 -36.768 -41.411 -1.168 1.00 0.00 WATA O ATOM 5333 H1 TIP3A 511 -37.535 -41.584 -1.786 1.00 0.00 WATA H ATOM 5334 H2 TIP3A 511 -37.093 -41.419 -0.223 1.00 0.00 WATA H ATOM 5335 OH2 TIP3A 512 -5.846 -24.296 10.813 1.00 0.00 WATA O ATOM 5336 H1 TIP3A 512 -4.901 -24.228 10.490 1.00 0.00 WATA H ATOM 5337 H2 TIP3A 512 -6.361 -24.906 10.212 1.00 0.00 WATA H ATOM 5338 OH2 TIP3A 513 -14.872 18.063 -53.254 1.00 0.00 WATA O ATOM 5339 H1 TIP3A 513 -15.739 17.646 -52.981 1.00 0.00 WATA H ATOM 5340 H2 TIP3A 513 -14.992 19.051 -53.345 1.00 0.00 WATA H ATOM 5341 OH2 TIP3A 514 10.331 -40.282 -41.212 1.00 0.00 WATA O ATOM 5342 H1 TIP3A 514 10.522 -41.236 -41.446 1.00 0.00 WATA H ATOM 5343 H2 TIP3A 514 10.966 -39.980 -40.501 1.00 0.00 WATA H ATOM 5344 OH2 TIP3A 515 28.199 -35.823 35.722 1.00 0.00 WATA O ATOM 5345 H1 TIP3A 515 27.584 -36.586 35.921 1.00 0.00 WATA H ATOM 5346 H2 TIP3A 515 27.814 -34.978 36.092 1.00 0.00 WATA H ATOM 5347 OH2 TIP3A 516 12.085 38.346 -33.299 1.00 0.00 WATA O ATOM 5348 H1 TIP3A 516 12.715 37.601 -33.520 1.00 0.00 WATA H ATOM 5349 H2 TIP3A 516 11.805 38.807 -34.140 1.00 0.00 WATA H ATOM 5350 OH2 TIP3A 517 6.539 -43.768 0.727 1.00 0.00 WATA O ATOM 5351 H1 TIP3A 517 7.336 -44.287 1.037 1.00 0.00 WATA H ATOM 5352 H2 TIP3A 517 5.805 -44.399 0.480 1.00 0.00 WATA H ATOM 5353 OH2 TIP3A 518 44.396 -29.195 13.253 1.00 0.00 WATA O ATOM 5354 H1 TIP3A 518 45.360 -29.462 13.245 1.00 0.00 WATA H ATOM 5355 H2 TIP3A 518 43.823 -30.013 13.199 1.00 0.00 WATA H ATOM 5356 OH2 TIP3A 519 -28.084 -21.527 -1.791 1.00 0.00 WATA O ATOM 5357 H1 TIP3A 519 -27.617 -22.388 -1.992 1.00 0.00 WATA H ATOM 5358 H2 TIP3A 519 -27.409 -20.799 -1.678 1.00 0.00 WATA H ATOM 5359 OH2 TIP3A 520 -38.497 26.792 -50.010 1.00 0.00 WATA O ATOM 5360 H1 TIP3A 520 -39.187 27.512 -50.081 1.00 0.00 WATA H ATOM 5361 H2 TIP3A 520 -38.910 25.971 -49.618 1.00 0.00 WATA H ATOM 5362 OH2 TIP3A 521 -15.519 26.806 -47.591 1.00 0.00 WATA O ATOM 5363 H1 TIP3A 521 -15.796 26.569 -46.660 1.00 0.00 WATA H ATOM 5364 H2 TIP3A 521 -15.764 27.756 -47.781 1.00 0.00 WATA H ATOM 5365 OH2 TIP3A 522 -15.492 -22.024 -45.140 1.00 0.00 WATA O ATOM 5366 H1 TIP3A 522 -15.099 -22.077 -44.222 1.00 0.00 WATA H ATOM 5367 H2 TIP3A 522 -16.368 -21.545 -45.102 1.00 0.00 WATA H ATOM 5368 OH2 TIP3A 523 42.485 -35.318 25.769 1.00 0.00 WATA O ATOM 5369 H1 TIP3A 523 41.909 -35.129 26.565 1.00 0.00 WATA H ATOM 5370 H2 TIP3A 523 42.338 -36.259 25.467 1.00 0.00 WATA H ATOM 5371 OH2 TIP3A 524 -1.301 -35.554 51.487 1.00 0.00 WATA O ATOM 5372 H1 TIP3A 524 -2.059 -35.997 51.966 1.00 0.00 WATA H ATOM 5373 H2 TIP3A 524 -1.156 -36.002 50.605 1.00 0.00 WATA H ATOM 5374 OH2 TIP3A 525 5.801 -41.913 -44.929 1.00 0.00 WATA O ATOM 5375 H1 TIP3A 525 5.307 -42.632 -45.419 1.00 0.00 WATA H ATOM 5376 H2 TIP3A 525 6.474 -42.328 -44.318 1.00 0.00 WATA H ATOM 5377 OH2 TIP3A 526 39.936 18.588 28.413 1.00 0.00 WATA O ATOM 5378 H1 TIP3A 526 40.386 19.188 29.075 1.00 0.00 WATA H ATOM 5379 H2 TIP3A 526 40.313 17.666 28.489 1.00 0.00 WATA H ATOM 5380 OH2 TIP3A 527 -38.124 48.149 -51.375 1.00 0.00 WATA O ATOM 5381 H1 TIP3A 527 -37.128 48.098 -51.451 1.00 0.00 WATA H ATOM 5382 H2 TIP3A 527 -38.410 49.106 -51.371 1.00 0.00 WATA H ATOM 5383 OH2 TIP3A 528 -16.978 2.874 -38.770 1.00 0.00 WATA O ATOM 5384 H1 TIP3A 528 -17.193 2.244 -38.023 1.00 0.00 WATA H ATOM 5385 H2 TIP3A 528 -16.740 3.768 -38.394 1.00 0.00 WATA H ATOM 5386 OH2 TIP3A 529 52.629 24.452 0.530 1.00 0.00 WATA O ATOM 5387 H1 TIP3A 529 51.793 24.940 0.779 1.00 0.00 WATA H ATOM 5388 H2 TIP3A 529 53.345 25.110 0.302 1.00 0.00 WATA H ATOM 5389 OH2 TIP3A 530 44.776 47.781 -44.474 1.00 0.00 WATA O ATOM 5390 H1 TIP3A 530 44.916 47.272 -43.625 1.00 0.00 WATA H ATOM 5391 H2 TIP3A 530 45.493 47.543 -45.128 1.00 0.00 WATA H ATOM 5392 OH2 TIP3A 531 -44.775 14.817 -52.982 1.00 0.00 WATA O ATOM 5393 H1 TIP3A 531 -45.303 13.968 -53.006 1.00 0.00 WATA H ATOM 5394 H2 TIP3A 531 -45.397 15.598 -53.022 1.00 0.00 WATA H ATOM 5395 OH2 TIP3A 532 -11.713 -44.166 -46.241 1.00 0.00 WATA O ATOM 5396 H1 TIP3A 532 -11.711 -45.163 -46.160 1.00 0.00 WATA H ATOM 5397 H2 TIP3A 532 -12.442 -43.787 -45.673 1.00 0.00 WATA H ATOM 5398 OH2 TIP3A 533 -38.734 27.952 -21.588 1.00 0.00 WATA O ATOM 5399 H1 TIP3A 533 -38.424 28.369 -20.733 1.00 0.00 WATA H ATOM 5400 H2 TIP3A 533 -39.700 27.706 -21.508 1.00 0.00 WATA H ATOM 5401 OH2 TIP3A 534 29.136 22.975 -12.173 1.00 0.00 WATA O ATOM 5402 H1 TIP3A 534 29.017 22.542 -11.280 1.00 0.00 WATA H ATOM 5403 H2 TIP3A 534 28.865 22.337 -12.893 1.00 0.00 WATA H ATOM 5404 OH2 TIP3A 535 -33.951 -12.330 38.783 1.00 0.00 WATA O ATOM 5405 H1 TIP3A 535 -34.864 -12.631 39.059 1.00 0.00 WATA H ATOM 5406 H2 TIP3A 535 -33.281 -13.032 39.020 1.00 0.00 WATA H ATOM 5407 OH2 TIP3A 536 40.457 17.433 -38.006 1.00 0.00 WATA O ATOM 5408 H1 TIP3A 536 40.139 16.500 -38.173 1.00 0.00 WATA H ATOM 5409 H2 TIP3A 536 40.063 18.047 -38.689 1.00 0.00 WATA H ATOM 5410 OH2 TIP3A 537 -17.718 -51.640 -3.673 1.00 0.00 WATA O ATOM 5411 H1 TIP3A 537 -18.348 -50.863 -3.677 1.00 0.00 WATA H ATOM 5412 H2 TIP3A 537 -18.029 -52.317 -3.007 1.00 0.00 WATA H ATOM 5413 OH2 TIP3A 538 -26.253 -1.722 31.681 1.00 0.00 WATA O ATOM 5414 H1 TIP3A 538 -25.961 -0.788 31.889 1.00 0.00 WATA H ATOM 5415 H2 TIP3A 538 -27.251 -1.764 31.667 1.00 0.00 WATA H ATOM 5416 OH2 TIP3A 539 42.472 -21.895 -13.724 1.00 0.00 WATA O ATOM 5417 H1 TIP3A 539 42.960 -22.764 -13.641 1.00 0.00 WATA H ATOM 5418 H2 TIP3A 539 42.977 -21.182 -13.239 1.00 0.00 WATA H ATOM 5419 OH2 TIP3A 540 -53.306 -14.777 -44.056 1.00 0.00 WATA O ATOM 5420 H1 TIP3A 540 -53.345 -13.783 -44.159 1.00 0.00 WATA H ATOM 5421 H2 TIP3A 540 -52.356 -15.082 -44.109 1.00 0.00 WATA H ATOM 5422 OH2 TIP3A 541 -39.240 -37.216 -1.653 1.00 0.00 WATA O ATOM 5423 H1 TIP3A 541 -38.581 -37.581 -0.995 1.00 0.00 WATA H ATOM 5424 H2 TIP3A 541 -40.030 -36.847 -1.164 1.00 0.00 WATA H ATOM 5425 OH2 TIP3A 542 9.841 -43.079 20.893 1.00 0.00 WATA O ATOM 5426 H1 TIP3A 542 8.948 -42.811 20.533 1.00 0.00 WATA H ATOM 5427 H2 TIP3A 542 9.982 -44.057 20.746 1.00 0.00 WATA H ATOM 5428 OH2 TIP3A 543 22.730 10.363 47.556 1.00 0.00 WATA O ATOM 5429 H1 TIP3A 543 22.020 9.659 47.538 1.00 0.00 WATA H ATOM 5430 H2 TIP3A 543 22.305 11.267 47.530 1.00 0.00 WATA H ATOM 5431 OH2 TIP3A 544 -9.788 17.242 -40.064 1.00 0.00 WATA O ATOM 5432 H1 TIP3A 544 -10.140 18.164 -40.229 1.00 0.00 WATA H ATOM 5433 H2 TIP3A 544 -10.553 16.603 -39.982 1.00 0.00 WATA H ATOM 5434 OH2 TIP3A 545 -53.345 40.151 -4.572 1.00 0.00 WATA O ATOM 5435 H1 TIP3A 545 -52.838 39.406 -5.009 1.00 0.00 WATA H ATOM 5436 H2 TIP3A 545 -52.701 40.799 -4.167 1.00 0.00 WATA H ATOM 5437 OH2 TIP3A 546 27.668 14.845 -33.291 1.00 0.00 WATA O ATOM 5438 H1 TIP3A 546 26.800 14.349 -33.293 1.00 0.00 WATA H ATOM 5439 H2 TIP3A 546 27.490 15.829 -33.290 1.00 0.00 WATA H ATOM 5440 OH2 TIP3A 547 -2.922 -48.084 51.369 1.00 0.00 WATA O ATOM 5441 H1 TIP3A 547 -2.149 -47.894 50.763 1.00 0.00 WATA H ATOM 5442 H2 TIP3A 547 -3.516 -47.282 51.415 1.00 0.00 WATA H ATOM 5443 OH2 TIP3A 548 -25.144 40.563 -23.711 1.00 0.00 WATA O ATOM 5444 H1 TIP3A 548 -25.742 39.984 -24.265 1.00 0.00 WATA H ATOM 5445 H2 TIP3A 548 -25.698 41.186 -23.161 1.00 0.00 WATA H ATOM 5446 OH2 TIP3A 549 25.140 28.878 12.173 1.00 0.00 WATA O ATOM 5447 H1 TIP3A 549 24.481 28.137 12.306 1.00 0.00 WATA H ATOM 5448 H2 TIP3A 549 26.002 28.643 12.621 1.00 0.00 WATA H ATOM 5449 OH2 TIP3A 550 -38.613 19.720 33.923 1.00 0.00 WATA O ATOM 5450 H1 TIP3A 550 -39.421 19.956 34.464 1.00 0.00 WATA H ATOM 5451 H2 TIP3A 550 -38.824 18.944 33.330 1.00 0.00 WATA H ATOM 5452 OH2 TIP3A 551 -6.480 44.562 -8.689 1.00 0.00 WATA O ATOM 5453 H1 TIP3A 551 -5.771 44.476 -9.390 1.00 0.00 WATA H ATOM 5454 H2 TIP3A 551 -7.375 44.640 -9.127 1.00 0.00 WATA H ATOM 5455 OH2 TIP3A 552 -1.335 20.041 -44.226 1.00 0.00 WATA O ATOM 5456 H1 TIP3A 552 -2.295 20.214 -44.008 1.00 0.00 WATA H ATOM 5457 H2 TIP3A 552 -0.890 19.600 -43.447 1.00 0.00 WATA H ATOM 5458 OH2 TIP3A 553 -12.261 -51.388 -6.007 1.00 0.00 WATA O ATOM 5459 H1 TIP3A 553 -11.296 -51.167 -6.148 1.00 0.00 WATA H ATOM 5460 H2 TIP3A 553 -12.686 -50.682 -5.441 1.00 0.00 WATA H ATOM 5461 OH2 TIP3A 554 22.953 47.187 -42.570 1.00 0.00 WATA O ATOM 5462 H1 TIP3A 554 22.223 47.478 -43.189 1.00 0.00 WATA H ATOM 5463 H2 TIP3A 554 22.959 47.774 -41.762 1.00 0.00 WATA H ATOM 5464 OH2 TIP3A 555 -17.074 -25.430 -34.321 1.00 0.00 WATA O ATOM 5465 H1 TIP3A 555 -16.170 -25.291 -33.914 1.00 0.00 WATA H ATOM 5466 H2 TIP3A 555 -17.622 -24.603 -34.206 1.00 0.00 WATA H ATOM 5467 OH2 TIP3A 556 -49.411 -33.095 13.532 1.00 0.00 WATA O ATOM 5468 H1 TIP3A 556 -49.403 -32.573 14.385 1.00 0.00 WATA H ATOM 5469 H2 TIP3A 556 -49.762 -32.520 12.793 1.00 0.00 WATA H ATOM 5470 OH2 TIP3A 557 16.187 -42.493 -39.149 1.00 0.00 WATA O ATOM 5471 H1 TIP3A 557 16.346 -41.508 -39.213 1.00 0.00 WATA H ATOM 5472 H2 TIP3A 557 17.046 -42.957 -38.935 1.00 0.00 WATA H ATOM 5473 OH2 TIP3A 558 -9.719 -39.907 -2.522 1.00 0.00 WATA O ATOM 5474 H1 TIP3A 558 -9.914 -39.369 -1.702 1.00 0.00 WATA H ATOM 5475 H2 TIP3A 558 -10.491 -40.512 -2.716 1.00 0.00 WATA H ATOM 5476 OH2 TIP3A 559 43.575 -17.464 2.444 1.00 0.00 WATA O ATOM 5477 H1 TIP3A 559 44.145 -16.925 3.065 1.00 0.00 WATA H ATOM 5478 H2 TIP3A 559 42.710 -17.685 2.891 1.00 0.00 WATA H ATOM 5479 OH2 TIP3A 560 -48.841 10.803 -31.610 1.00 0.00 WATA O ATOM 5480 H1 TIP3A 560 -49.823 10.612 -31.619 1.00 0.00 WATA H ATOM 5481 H2 TIP3A 560 -48.333 9.942 -31.607 1.00 0.00 WATA H ATOM 5482 OH2 TIP3A 561 26.343 28.267 -43.919 1.00 0.00 WATA O ATOM 5483 H1 TIP3A 561 25.708 29.031 -44.037 1.00 0.00 WATA H ATOM 5484 H2 TIP3A 561 25.890 27.529 -43.421 1.00 0.00 WATA H ATOM 5485 OH2 TIP3A 562 41.815 -49.187 35.753 1.00 0.00 WATA O ATOM 5486 H1 TIP3A 562 41.286 -49.089 34.909 1.00 0.00 WATA H ATOM 5487 H2 TIP3A 562 42.608 -49.770 35.583 1.00 0.00 WATA H ATOM 5488 OH2 TIP3A 563 -28.903 -41.711 -32.776 1.00 0.00 WATA O ATOM 5489 H1 TIP3A 563 -28.383 -42.024 -33.572 1.00 0.00 WATA H ATOM 5490 H2 TIP3A 563 -29.848 -41.531 -33.045 1.00 0.00 WATA H ATOM 5491 OH2 TIP3A 564 -5.243 -53.345 40.415 1.00 0.00 WATA O ATOM 5492 H1 TIP3A 564 -5.088 -52.411 40.737 1.00 0.00 WATA H ATOM 5493 H2 TIP3A 564 -5.968 -53.345 39.726 1.00 0.00 WATA H ATOM 5494 OH2 TIP3A 565 40.421 -23.502 -12.212 1.00 0.00 WATA O ATOM 5495 H1 TIP3A 565 40.037 -22.924 -11.491 1.00 0.00 WATA H ATOM 5496 H2 TIP3A 565 41.416 -23.415 -12.215 1.00 0.00 WATA H ATOM 5497 OH2 TIP3A 566 11.899 19.042 -39.891 1.00 0.00 WATA O ATOM 5498 H1 TIP3A 566 11.623 19.462 -40.756 1.00 0.00 WATA H ATOM 5499 H2 TIP3A 566 12.682 19.537 -39.515 1.00 0.00 WATA H ATOM 5500 OH2 TIP3A 567 39.380 28.996 52.045 1.00 0.00 WATA O ATOM 5501 H1 TIP3A 567 39.608 28.621 52.944 1.00 0.00 WATA H ATOM 5502 H2 TIP3A 567 38.516 28.605 51.730 1.00 0.00 WATA H ATOM 5503 OH2 TIP3A 568 35.662 -24.037 -15.527 1.00 0.00 WATA O ATOM 5504 H1 TIP3A 568 36.662 -24.045 -15.515 1.00 0.00 WATA H ATOM 5505 H2 TIP3A 568 35.336 -23.092 -15.526 1.00 0.00 WATA H ATOM 5506 OH2 TIP3A 569 49.704 26.637 0.015 1.00 0.00 WATA O ATOM 5507 H1 TIP3A 569 49.257 25.857 0.455 1.00 0.00 WATA H ATOM 5508 H2 TIP3A 569 50.566 26.339 -0.394 1.00 0.00 WATA H ATOM 5509 OH2 TIP3A 570 -19.528 -38.794 49.228 1.00 0.00 WATA O ATOM 5510 H1 TIP3A 570 -19.513 -38.361 48.326 1.00 0.00 WATA H ATOM 5511 H2 TIP3A 570 -19.556 -39.787 49.121 1.00 0.00 WATA H ATOM 5512 OH2 TIP3A 571 16.132 -38.446 -23.505 1.00 0.00 WATA O ATOM 5513 H1 TIP3A 571 16.830 -39.153 -23.396 1.00 0.00 WATA H ATOM 5514 H2 TIP3A 571 16.572 -37.567 -23.688 1.00 0.00 WATA H ATOM 5515 OH2 TIP3A 572 -29.134 17.331 -23.150 1.00 0.00 WATA O ATOM 5516 H1 TIP3A 572 -29.751 16.544 -23.121 1.00 0.00 WATA H ATOM 5517 H2 TIP3A 572 -29.276 17.896 -22.338 1.00 0.00 WATA H ATOM 5518 OH2 TIP3A 573 -1.393 7.869 -33.541 1.00 0.00 WATA O ATOM 5519 H1 TIP3A 573 -2.332 8.205 -33.456 1.00 0.00 WATA H ATOM 5520 H2 TIP3A 573 -1.392 6.871 -33.511 1.00 0.00 WATA H ATOM 5521 OH2 TIP3A 574 42.097 46.683 -42.255 1.00 0.00 WATA O ATOM 5522 H1 TIP3A 574 43.094 46.759 -42.283 1.00 0.00 WATA H ATOM 5523 H2 TIP3A 574 41.836 45.719 -42.254 1.00 0.00 WATA H ATOM 5524 OH2 TIP3A 575 35.248 -8.607 -16.651 1.00 0.00 WATA O ATOM 5525 H1 TIP3A 575 35.747 -9.337 -17.119 1.00 0.00 WATA H ATOM 5526 H2 TIP3A 575 34.290 -8.623 -16.935 1.00 0.00 WATA H ATOM 5527 OH2 TIP3A 576 -42.775 -29.829 -47.324 1.00 0.00 WATA O ATOM 5528 H1 TIP3A 576 -42.108 -30.482 -47.681 1.00 0.00 WATA H ATOM 5529 H2 TIP3A 576 -42.298 -29.030 -46.960 1.00 0.00 WATA H ATOM 5530 OH2 TIP3A 577 -22.948 -12.641 -25.237 1.00 0.00 WATA O ATOM 5531 H1 TIP3A 577 -23.916 -12.569 -24.996 1.00 0.00 WATA H ATOM 5532 H2 TIP3A 577 -22.409 -12.060 -24.627 1.00 0.00 WATA H ATOM 5533 OH2 TIP3A 578 31.803 23.250 -47.546 1.00 0.00 WATA O ATOM 5534 H1 TIP3A 578 31.668 24.240 -47.495 1.00 0.00 WATA H ATOM 5535 H2 TIP3A 578 30.916 22.791 -47.538 1.00 0.00 WATA H ATOM 5536 OH2 TIP3A 579 -27.735 46.941 19.063 1.00 0.00 WATA O ATOM 5537 H1 TIP3A 579 -27.317 46.033 19.025 1.00 0.00 WATA H ATOM 5538 H2 TIP3A 579 -27.191 47.534 19.655 1.00 0.00 WATA H ATOM 5539 OH2 TIP3A 580 -21.213 51.475 -36.540 1.00 0.00 WATA O ATOM 5540 H1 TIP3A 580 -20.278 51.810 -36.424 1.00 0.00 WATA H ATOM 5541 H2 TIP3A 580 -21.826 52.247 -36.705 1.00 0.00 WATA H ATOM 5542 OH2 TIP3A 581 2.397 17.105 -35.458 1.00 0.00 WATA O ATOM 5543 H1 TIP3A 581 1.565 17.536 -35.809 1.00 0.00 WATA H ATOM 5544 H2 TIP3A 581 3.187 17.437 -35.972 1.00 0.00 WATA H ATOM 5545 OH2 TIP3A 582 -28.753 -15.325 -12.784 1.00 0.00 WATA O ATOM 5546 H1 TIP3A 582 -28.363 -16.154 -13.186 1.00 0.00 WATA H ATOM 5547 H2 TIP3A 582 -29.650 -15.149 -13.189 1.00 0.00 WATA H ATOM 5548 OH2 TIP3A 583 0.191 21.058 49.861 1.00 0.00 WATA O ATOM 5549 H1 TIP3A 583 -0.131 21.666 49.135 1.00 0.00 WATA H ATOM 5550 H2 TIP3A 583 1.139 21.279 50.085 1.00 0.00 WATA H ATOM 5551 OH2 TIP3A 584 44.198 36.973 43.798 1.00 0.00 WATA O ATOM 5552 H1 TIP3A 584 44.518 36.056 43.556 1.00 0.00 WATA H ATOM 5553 H2 TIP3A 584 44.940 37.481 44.234 1.00 0.00 WATA H ATOM 5554 OH2 TIP3A 585 -33.154 -25.370 46.650 1.00 0.00 WATA O ATOM 5555 H1 TIP3A 585 -32.404 -25.998 46.440 1.00 0.00 WATA H ATOM 5556 H2 TIP3A 585 -32.814 -24.430 46.647 1.00 0.00 WATA H ATOM 5557 OH2 TIP3A 586 -33.774 13.216 42.359 1.00 0.00 WATA O ATOM 5558 H1 TIP3A 586 -33.578 12.967 43.308 1.00 0.00 WATA H ATOM 5559 H2 TIP3A 586 -33.458 12.488 41.751 1.00 0.00 WATA H ATOM 5560 OH2 TIP3A 587 -33.768 -4.378 8.855 1.00 0.00 WATA O ATOM 5561 H1 TIP3A 587 -33.185 -5.055 9.304 1.00 0.00 WATA H ATOM 5562 H2 TIP3A 587 -34.727 -4.631 8.975 1.00 0.00 WATA H ATOM 5563 OH2 TIP3A 588 -40.291 -52.521 20.622 1.00 0.00 WATA O ATOM 5564 H1 TIP3A 588 -40.529 -52.747 19.677 1.00 0.00 WATA H ATOM 5565 H2 TIP3A 588 -39.979 -53.345 21.094 1.00 0.00 WATA H ATOM 5566 OH2 TIP3A 589 -5.984 -23.555 -47.881 1.00 0.00 WATA O ATOM 5567 H1 TIP3A 589 -5.813 -22.587 -47.696 1.00 0.00 WATA H ATOM 5568 H2 TIP3A 589 -6.549 -23.939 -47.151 1.00 0.00 WATA H ATOM 5569 OH2 TIP3A 590 16.256 27.846 36.658 1.00 0.00 WATA O ATOM 5570 H1 TIP3A 590 16.858 28.624 36.839 1.00 0.00 WATA H ATOM 5571 H2 TIP3A 590 15.607 27.744 37.411 1.00 0.00 WATA H ATOM 5572 OH2 TIP3A 591 -15.332 44.666 51.795 1.00 0.00 WATA O ATOM 5573 H1 TIP3A 591 -14.842 44.059 51.170 1.00 0.00 WATA H ATOM 5574 H2 TIP3A 591 -16.143 44.200 52.146 1.00 0.00 WATA H ATOM 5575 OH2 TIP3A 592 -25.504 2.746 39.944 1.00 0.00 WATA O ATOM 5576 H1 TIP3A 592 -25.725 3.626 40.367 1.00 0.00 WATA H ATOM 5577 H2 TIP3A 592 -26.188 2.068 40.209 1.00 0.00 WATA H ATOM 5578 OH2 TIP3A 593 -37.537 -51.799 -51.313 1.00 0.00 WATA O ATOM 5579 H1 TIP3A 593 -37.662 -52.789 -51.248 1.00 0.00 WATA H ATOM 5580 H2 TIP3A 593 -37.022 -51.582 -52.142 1.00 0.00 WATA H ATOM 5581 OH2 TIP3A 594 -18.142 40.436 -33.699 1.00 0.00 WATA O ATOM 5582 H1 TIP3A 594 -18.379 39.828 -32.940 1.00 0.00 WATA H ATOM 5583 H2 TIP3A 594 -18.030 39.898 -34.534 1.00 0.00 WATA H ATOM 5584 OH2 TIP3A 595 26.994 36.722 -52.791 1.00 0.00 WATA O ATOM 5585 H1 TIP3A 595 26.236 37.356 -52.639 1.00 0.00 WATA H ATOM 5586 H2 TIP3A 595 26.924 35.958 -52.151 1.00 0.00 WATA H ATOM 5587 OH2 TIP3A 596 -20.784 -13.515 -39.341 1.00 0.00 WATA O ATOM 5588 H1 TIP3A 596 -20.468 -12.617 -39.035 1.00 0.00 WATA H ATOM 5589 H2 TIP3A 596 -21.026 -14.072 -38.547 1.00 0.00 WATA H ATOM 5590 OH2 TIP3A 597 -3.635 -19.861 -38.643 1.00 0.00 WATA O ATOM 5591 H1 TIP3A 597 -3.683 -19.545 -39.591 1.00 0.00 WATA H ATOM 5592 H2 TIP3A 597 -3.623 -20.860 -38.625 1.00 0.00 WATA H ATOM 5593 OH2 TIP3A 598 -53.345 -41.494 9.990 1.00 0.00 WATA O ATOM 5594 H1 TIP3A 598 -53.312 -40.951 9.151 1.00 0.00 WATA H ATOM 5595 H2 TIP3A 598 -53.340 -42.467 9.758 1.00 0.00 WATA H ATOM 5596 OH2 TIP3A 599 47.890 -34.055 -13.291 1.00 0.00 WATA O ATOM 5597 H1 TIP3A 599 48.386 -33.355 -12.776 1.00 0.00 WATA H ATOM 5598 H2 TIP3A 599 48.431 -34.895 -13.319 1.00 0.00 WATA H ATOM 5599 OH2 TIP3A 600 -2.797 38.261 -0.145 1.00 0.00 WATA O ATOM 5600 H1 TIP3A 600 -2.904 38.747 0.723 1.00 0.00 WATA H ATOM 5601 H2 TIP3A 600 -2.648 37.289 0.034 1.00 0.00 WATA H ATOM 5602 OH2 TIP3A 601 -22.596 19.548 -44.515 1.00 0.00 WATA O ATOM 5603 H1 TIP3A 601 -23.523 19.227 -44.320 1.00 0.00 WATA H ATOM 5604 H2 TIP3A 601 -22.580 20.547 -44.505 1.00 0.00 WATA H ATOM 5605 OH2 TIP3A 602 37.519 8.958 -30.504 1.00 0.00 WATA O ATOM 5606 H1 TIP3A 602 37.678 8.881 -31.489 1.00 0.00 WATA H ATOM 5607 H2 TIP3A 602 36.677 9.470 -30.342 1.00 0.00 WATA H ATOM 5608 OH2 TIP3A 603 -45.349 9.112 -44.883 1.00 0.00 WATA O ATOM 5609 H1 TIP3A 603 -46.184 9.646 -44.748 1.00 0.00 WATA H ATOM 5610 H2 TIP3A 603 -44.583 9.729 -45.061 1.00 0.00 WATA H ATOM 5611 OH2 TIP3A 604 19.696 20.839 21.954 1.00 0.00 WATA O ATOM 5612 H1 TIP3A 604 20.007 20.014 22.427 1.00 0.00 WATA H ATOM 5613 H2 TIP3A 604 18.776 20.690 21.593 1.00 0.00 WATA H ATOM 5614 OH2 TIP3A 605 30.306 -43.246 -16.742 1.00 0.00 WATA O ATOM 5615 H1 TIP3A 605 31.285 -43.179 -16.936 1.00 0.00 WATA H ATOM 5616 H2 TIP3A 605 29.994 -44.178 -16.921 1.00 0.00 WATA H ATOM 5617 OH2 TIP3A 606 -22.595 48.551 47.077 1.00 0.00 WATA O ATOM 5618 H1 TIP3A 606 -22.760 47.572 46.954 1.00 0.00 WATA H ATOM 5619 H2 TIP3A 606 -22.257 48.942 46.222 1.00 0.00 WATA H ATOM 5620 OH2 TIP3A 607 22.226 23.555 -44.823 1.00 0.00 WATA O ATOM 5621 H1 TIP3A 607 22.884 24.075 -45.369 1.00 0.00 WATA H ATOM 5622 H2 TIP3A 607 22.640 22.691 -44.536 1.00 0.00 WATA H ATOM 5623 OH2 TIP3A 608 43.887 38.350 -43.335 1.00 0.00 WATA O ATOM 5624 H1 TIP3A 608 44.598 38.882 -43.794 1.00 0.00 WATA H ATOM 5625 H2 TIP3A 608 44.249 37.977 -42.481 1.00 0.00 WATA H ATOM 5626 OH2 TIP3A 609 11.435 31.644 1.676 1.00 0.00 WATA O ATOM 5627 H1 TIP3A 609 10.875 31.625 2.505 1.00 0.00 WATA H ATOM 5628 H2 TIP3A 609 10.934 32.106 0.945 1.00 0.00 WATA H ATOM 5629 OH2 TIP3A 610 26.759 14.796 -3.240 1.00 0.00 WATA O ATOM 5630 H1 TIP3A 610 26.061 14.120 -3.002 1.00 0.00 WATA H ATOM 5631 H2 TIP3A 610 27.387 14.404 -3.912 1.00 0.00 WATA H ATOM 5632 OH2 TIP3A 611 24.335 -43.677 -50.186 1.00 0.00 WATA O ATOM 5633 H1 TIP3A 611 23.468 -43.246 -50.437 1.00 0.00 WATA H ATOM 5634 H2 TIP3A 611 24.183 -44.647 -50.001 1.00 0.00 WATA H ATOM 5635 OH2 TIP3A 612 -33.684 24.303 -40.884 1.00 0.00 WATA O ATOM 5636 H1 TIP3A 612 -33.000 23.898 -41.491 1.00 0.00 WATA H ATOM 5637 H2 TIP3A 612 -33.345 24.287 -39.943 1.00 0.00 WATA H ATOM 5638 OH2 TIP3A 613 35.962 -41.588 2.749 1.00 0.00 WATA O ATOM 5639 H1 TIP3A 613 35.865 -40.609 2.567 1.00 0.00 WATA H ATOM 5640 H2 TIP3A 613 35.113 -41.939 3.142 1.00 0.00 WATA H ATOM 5641 OH2 TIP3A 614 34.327 -35.464 48.399 1.00 0.00 WATA O ATOM 5642 H1 TIP3A 614 35.268 -35.245 48.658 1.00 0.00 WATA H ATOM 5643 H2 TIP3A 614 34.324 -35.921 47.510 1.00 0.00 WATA H ATOM 5644 OH2 TIP3A 615 -10.193 -2.280 -46.941 1.00 0.00 WATA O ATOM 5645 H1 TIP3A 615 -11.122 -2.031 -46.667 1.00 0.00 WATA H ATOM 5646 H2 TIP3A 615 -9.536 -1.695 -46.466 1.00 0.00 WATA H ATOM 5647 OH2 TIP3A 616 52.620 5.829 -32.149 1.00 0.00 WATA O ATOM 5648 H1 TIP3A 616 53.345 5.448 -31.574 1.00 0.00 WATA H ATOM 5649 H2 TIP3A 616 51.839 5.205 -32.157 1.00 0.00 WATA H ATOM 5650 OH2 TIP3A 617 22.234 28.881 21.458 1.00 0.00 WATA O ATOM 5651 H1 TIP3A 617 21.422 28.315 21.601 1.00 0.00 WATA H ATOM 5652 H2 TIP3A 617 21.991 29.845 21.553 1.00 0.00 WATA H ATOM 5653 OH2 TIP3A 618 24.963 30.837 42.579 1.00 0.00 WATA O ATOM 5654 H1 TIP3A 618 24.151 31.269 42.972 1.00 0.00 WATA H ATOM 5655 H2 TIP3A 618 24.710 29.963 42.167 1.00 0.00 WATA H ATOM 5656 OH2 TIP3A 619 -31.383 -17.194 0.222 1.00 0.00 WATA O ATOM 5657 H1 TIP3A 619 -30.572 -17.767 0.346 1.00 0.00 WATA H ATOM 5658 H2 TIP3A 619 -31.246 -16.319 0.683 1.00 0.00 WATA H ATOM 5659 OH2 TIP3A 620 40.440 37.706 -39.734 1.00 0.00 WATA O ATOM 5660 H1 TIP3A 620 41.147 37.762 -39.029 1.00 0.00 WATA H ATOM 5661 H2 TIP3A 620 40.837 37.347 -40.577 1.00 0.00 WATA H ATOM 5662 OH2 TIP3A 621 0.703 49.749 -23.705 1.00 0.00 WATA O ATOM 5663 H1 TIP3A 621 0.606 48.758 -23.612 1.00 0.00 WATA H ATOM 5664 H2 TIP3A 621 -0.202 50.173 -23.711 1.00 0.00 WATA H ATOM 5665 OH2 TIP3A 622 24.610 -35.461 52.944 1.00 0.00 WATA O ATOM 5666 H1 TIP3A 622 24.873 -36.339 53.345 1.00 0.00 WATA H ATOM 5667 H2 TIP3A 622 23.626 -35.456 52.770 1.00 0.00 WATA H ATOM 5668 OH2 TIP3A 623 6.123 -9.970 53.345 1.00 0.00 WATA O ATOM 5669 H1 TIP3A 623 5.534 -9.405 52.767 1.00 0.00 WATA H ATOM 5670 H2 TIP3A 623 5.896 -10.934 53.210 1.00 0.00 WATA H ATOM 5671 OH2 TIP3A 624 -40.464 0.504 -10.763 1.00 0.00 WATA O ATOM 5672 H1 TIP3A 624 -39.730 -0.101 -11.071 1.00 0.00 WATA H ATOM 5673 H2 TIP3A 624 -40.678 1.164 -11.482 1.00 0.00 WATA H ATOM 5674 OH2 TIP3A 625 18.286 -15.528 -32.642 1.00 0.00 WATA O ATOM 5675 H1 TIP3A 625 17.404 -15.982 -32.517 1.00 0.00 WATA H ATOM 5676 H2 TIP3A 625 18.142 -14.549 -32.779 1.00 0.00 WATA H ATOM 5677 OH2 TIP3A 626 51.522 5.484 14.031 1.00 0.00 WATA O ATOM 5678 H1 TIP3A 626 51.122 4.600 14.275 1.00 0.00 WATA H ATOM 5679 H2 TIP3A 626 52.395 5.338 13.567 1.00 0.00 WATA H ATOM 5680 OH2 TIP3A 627 6.354 -9.001 -30.664 1.00 0.00 WATA O ATOM 5681 H1 TIP3A 627 6.979 -9.521 -31.246 1.00 0.00 WATA H ATOM 5682 H2 TIP3A 627 6.227 -9.481 -29.797 1.00 0.00 WATA H ATOM 5683 OH2 TIP3A 628 49.963 27.919 34.914 1.00 0.00 WATA O ATOM 5684 H1 TIP3A 628 49.451 27.360 34.261 1.00 0.00 WATA H ATOM 5685 H2 TIP3A 628 50.886 27.551 35.018 1.00 0.00 WATA H ATOM 5686 OH2 TIP3A 629 -8.635 39.381 5.724 1.00 0.00 WATA O ATOM 5687 H1 TIP3A 629 -8.192 40.277 5.757 1.00 0.00 WATA H ATOM 5688 H2 TIP3A 629 -8.210 38.825 5.010 1.00 0.00 WATA H ATOM 5689 OH2 TIP3A 630 5.771 -43.334 3.016 1.00 0.00 WATA O ATOM 5690 H1 TIP3A 630 5.121 -43.903 2.512 1.00 0.00 WATA H ATOM 5691 H2 TIP3A 630 5.925 -42.481 2.518 1.00 0.00 WATA H ATOM 5692 OH2 TIP3A 631 40.996 -13.614 39.107 1.00 0.00 WATA O ATOM 5693 H1 TIP3A 631 40.389 -14.368 38.857 1.00 0.00 WATA H ATOM 5694 H2 TIP3A 631 41.934 -13.952 39.184 1.00 0.00 WATA H ATOM 5695 OH2 TIP3A 632 -13.713 3.831 -24.297 1.00 0.00 WATA O ATOM 5696 H1 TIP3A 632 -14.458 3.291 -23.905 1.00 0.00 WATA H ATOM 5697 H2 TIP3A 632 -14.045 4.323 -25.102 1.00 0.00 WATA H ATOM 5698 OH2 TIP3A 633 -7.381 -13.698 -38.640 1.00 0.00 WATA O ATOM 5699 H1 TIP3A 633 -8.224 -14.006 -39.080 1.00 0.00 WATA H ATOM 5700 H2 TIP3A 633 -6.669 -14.390 -38.760 1.00 0.00 WATA H ATOM 5701 OH2 TIP3A 634 -3.326 33.738 6.161 1.00 0.00 WATA O ATOM 5702 H1 TIP3A 634 -4.257 33.372 6.160 1.00 0.00 WATA H ATOM 5703 H2 TIP3A 634 -2.671 32.984 6.160 1.00 0.00 WATA H ATOM 5704 OH2 TIP3A 635 -1.565 51.290 -13.105 1.00 0.00 WATA O ATOM 5705 H1 TIP3A 635 -1.662 51.999 -13.803 1.00 0.00 WATA H ATOM 5706 H2 TIP3A 635 -1.585 50.389 -13.538 1.00 0.00 WATA H ATOM 5707 OH2 TIP3A 636 -34.625 -32.664 15.785 1.00 0.00 WATA O ATOM 5708 H1 TIP3A 636 -35.538 -33.065 15.858 1.00 0.00 WATA H ATOM 5709 H2 TIP3A 636 -34.310 -32.384 16.691 1.00 0.00 WATA H ATOM 5710 OH2 TIP3A 637 9.262 -26.483 50.251 1.00 0.00 WATA O ATOM 5711 H1 TIP3A 637 9.310 -25.699 50.871 1.00 0.00 WATA H ATOM 5712 H2 TIP3A 637 9.912 -26.357 49.503 1.00 0.00 WATA H ATOM 5713 OH2 TIP3A 638 24.376 -21.689 2.520 1.00 0.00 WATA O ATOM 5714 H1 TIP3A 638 25.174 -21.085 2.525 1.00 0.00 WATA H ATOM 5715 H2 TIP3A 638 24.669 -22.628 2.344 1.00 0.00 WATA H ATOM 5716 OH2 TIP3A 639 -42.799 26.131 -1.980 1.00 0.00 WATA O ATOM 5717 H1 TIP3A 639 -41.859 25.817 -1.846 1.00 0.00 WATA H ATOM 5718 H2 TIP3A 639 -43.425 25.359 -1.885 1.00 0.00 WATA H ATOM 5719 OH2 TIP3A 640 22.222 -22.073 30.280 1.00 0.00 WATA O ATOM 5720 H1 TIP3A 640 21.473 -22.726 30.388 1.00 0.00 WATA H ATOM 5721 H2 TIP3A 640 21.888 -21.149 30.466 1.00 0.00 WATA H ATOM 5722 OH2 TIP3A 641 49.450 32.351 -34.162 1.00 0.00 WATA O ATOM 5723 H1 TIP3A 641 49.542 33.344 -34.094 1.00 0.00 WATA H ATOM 5724 H2 TIP3A 641 50.291 31.963 -34.538 1.00 0.00 WATA H ATOM 5725 OH2 TIP3A 642 -12.095 -31.587 -39.359 1.00 0.00 WATA O ATOM 5726 H1 TIP3A 642 -12.173 -30.641 -39.043 1.00 0.00 WATA H ATOM 5727 H2 TIP3A 642 -11.145 -31.782 -39.599 1.00 0.00 WATA H ATOM 5728 OH2 TIP3A 643 37.737 48.343 -31.881 1.00 0.00 WATA O ATOM 5729 H1 TIP3A 643 38.146 47.456 -32.097 1.00 0.00 WATA H ATOM 5730 H2 TIP3A 643 38.206 48.744 -31.095 1.00 0.00 WATA H ATOM 5731 OH2 TIP3A 644 -38.922 13.948 41.227 1.00 0.00 WATA O ATOM 5732 H1 TIP3A 644 -39.128 13.141 40.674 1.00 0.00 WATA H ATOM 5733 H2 TIP3A 644 -39.755 14.267 41.676 1.00 0.00 WATA H ATOM 5734 OH2 TIP3A 645 -32.088 -40.990 -13.603 1.00 0.00 WATA O ATOM 5735 H1 TIP3A 645 -32.820 -41.671 -13.632 1.00 0.00 WATA H ATOM 5736 H2 TIP3A 645 -31.207 -41.441 -13.746 1.00 0.00 WATA H ATOM 5737 OH2 TIP3A 646 28.398 -51.732 -50.503 1.00 0.00 WATA O ATOM 5738 H1 TIP3A 646 28.977 -50.917 -50.463 1.00 0.00 WATA H ATOM 5739 H2 TIP3A 646 28.769 -52.434 -49.895 1.00 0.00 WATA H ATOM 5740 OH2 TIP3A 647 -6.842 11.948 44.574 1.00 0.00 WATA O ATOM 5741 H1 TIP3A 647 -5.874 12.152 44.723 1.00 0.00 WATA H ATOM 5742 H2 TIP3A 647 -6.974 10.958 44.549 1.00 0.00 WATA H ATOM 5743 OH2 TIP3A 648 -0.747 -24.715 39.537 1.00 0.00 WATA O ATOM 5744 H1 TIP3A 648 -0.854 -25.691 39.727 1.00 0.00 WATA H ATOM 5745 H2 TIP3A 648 -1.067 -24.185 40.321 1.00 0.00 WATA H ATOM 5746 OH2 TIP3A 649 29.512 -8.469 17.621 1.00 0.00 WATA O ATOM 5747 H1 TIP3A 649 29.714 -8.925 16.753 1.00 0.00 WATA H ATOM 5748 H2 TIP3A 649 29.139 -7.560 17.441 1.00 0.00 WATA H ATOM 5749 OH2 TIP3A 650 -47.388 15.322 22.308 1.00 0.00 WATA O ATOM 5750 H1 TIP3A 650 -48.150 14.700 22.126 1.00 0.00 WATA H ATOM 5751 H2 TIP3A 650 -46.888 15.011 23.115 1.00 0.00 WATA H ATOM 5752 OH2 TIP3A 651 9.053 -25.525 19.542 1.00 0.00 WATA O ATOM 5753 H1 TIP3A 651 8.200 -25.988 19.302 1.00 0.00 WATA H ATOM 5754 H2 TIP3A 651 8.880 -24.548 19.662 1.00 0.00 WATA H ATOM 5755 OH2 TIP3A 652 53.050 -2.514 6.068 1.00 0.00 WATA O ATOM 5756 H1 TIP3A 652 52.369 -1.787 5.978 1.00 0.00 WATA H ATOM 5757 H2 TIP3A 652 52.587 -3.393 6.173 1.00 0.00 WATA H ATOM 5758 OH2 TIP3A 653 -21.192 -32.978 -39.203 1.00 0.00 WATA O ATOM 5759 H1 TIP3A 653 -21.191 -32.843 -40.194 1.00 0.00 WATA H ATOM 5760 H2 TIP3A 653 -21.705 -33.806 -38.980 1.00 0.00 WATA H ATOM 5761 OH2 TIP3A 654 -27.194 -7.112 19.286 1.00 0.00 WATA O ATOM 5762 H1 TIP3A 654 -27.074 -6.225 18.839 1.00 0.00 WATA H ATOM 5763 H2 TIP3A 654 -27.634 -6.982 20.174 1.00 0.00 WATA H ATOM 5764 OH2 TIP3A 655 51.699 -1.894 26.542 1.00 0.00 WATA O ATOM 5765 H1 TIP3A 655 50.942 -2.110 27.160 1.00 0.00 WATA H ATOM 5766 H2 TIP3A 655 51.382 -1.948 25.596 1.00 0.00 WATA H ATOM 5767 OH2 TIP3A 656 51.884 -32.488 -48.963 1.00 0.00 WATA O ATOM 5768 H1 TIP3A 656 52.785 -32.795 -48.657 1.00 0.00 WATA H ATOM 5769 H2 TIP3A 656 51.746 -32.754 -49.916 1.00 0.00 WATA H ATOM 5770 OH2 TIP3A 657 -11.672 45.672 49.388 1.00 0.00 WATA O ATOM 5771 H1 TIP3A 657 -11.089 45.826 48.589 1.00 0.00 WATA H ATOM 5772 H2 TIP3A 657 -11.875 46.546 49.826 1.00 0.00 WATA H ATOM 5773 OH2 TIP3A 658 5.388 -22.874 -28.642 1.00 0.00 WATA O ATOM 5774 H1 TIP3A 658 6.143 -23.530 -28.622 1.00 0.00 WATA H ATOM 5775 H2 TIP3A 658 4.519 -23.362 -28.560 1.00 0.00 WATA H ATOM 5776 OH2 TIP3A 659 21.023 -46.789 -8.720 1.00 0.00 WATA O ATOM 5777 H1 TIP3A 659 21.971 -46.997 -8.960 1.00 0.00 WATA H ATOM 5778 H2 TIP3A 659 20.648 -46.134 -9.376 1.00 0.00 WATA H ATOM 5779 OH2 TIP3A 660 10.079 -35.274 41.419 1.00 0.00 WATA O ATOM 5780 H1 TIP3A 660 9.417 -34.615 41.061 1.00 0.00 WATA H ATOM 5781 H2 TIP3A 660 10.979 -34.843 41.478 1.00 0.00 WATA H ATOM 5782 OH2 TIP3A 661 42.792 -5.686 29.539 1.00 0.00 WATA O ATOM 5783 H1 TIP3A 661 42.870 -6.682 29.499 1.00 0.00 WATA H ATOM 5784 H2 TIP3A 661 43.645 -5.271 29.225 1.00 0.00 WATA H ATOM 5785 OH2 TIP3A 662 -1.794 -19.127 -44.591 1.00 0.00 WATA O ATOM 5786 H1 TIP3A 662 -2.774 -19.319 -44.539 1.00 0.00 WATA H ATOM 5787 H2 TIP3A 662 -1.641 -18.143 -44.500 1.00 0.00 WATA H ATOM 5788 OH2 TIP3A 663 -29.904 11.664 -21.568 1.00 0.00 WATA O ATOM 5789 H1 TIP3A 663 -30.227 10.764 -21.859 1.00 0.00 WATA H ATOM 5790 H2 TIP3A 663 -28.957 11.594 -21.257 1.00 0.00 WATA H ATOM 5791 OH2 TIP3A 664 22.170 -33.950 -25.621 1.00 0.00 WATA O ATOM 5792 H1 TIP3A 664 21.226 -34.142 -25.892 1.00 0.00 WATA H ATOM 5793 H2 TIP3A 664 22.789 -34.563 -26.111 1.00 0.00 WATA H ATOM 5794 OH2 TIP3A 665 34.154 26.991 31.343 1.00 0.00 WATA O ATOM 5795 H1 TIP3A 665 33.559 27.075 30.543 1.00 0.00 WATA H ATOM 5796 H2 TIP3A 665 33.648 26.566 32.093 1.00 0.00 WATA H ATOM 5797 OH2 TIP3A 666 12.554 -48.924 -49.704 1.00 0.00 WATA O ATOM 5798 H1 TIP3A 666 12.792 -48.877 -48.734 1.00 0.00 WATA H ATOM 5799 H2 TIP3A 666 13.174 -48.342 -50.229 1.00 0.00 WATA H ATOM 5800 OH2 TIP3A 667 39.371 -30.565 40.428 1.00 0.00 WATA O ATOM 5801 H1 TIP3A 667 39.514 -29.612 40.695 1.00 0.00 WATA H ATOM 5802 H2 TIP3A 667 38.394 -30.732 40.300 1.00 0.00 WATA H ATOM 5803 OH2 TIP3A 668 -48.308 -31.636 -9.928 1.00 0.00 WATA O ATOM 5804 H1 TIP3A 668 -47.719 -30.877 -10.205 1.00 0.00 WATA H ATOM 5805 H2 TIP3A 668 -47.753 -32.455 -9.785 1.00 0.00 WATA H ATOM 5806 OH2 TIP3A 669 -10.163 46.950 45.585 1.00 0.00 WATA O ATOM 5807 H1 TIP3A 669 -9.352 47.484 45.825 1.00 0.00 WATA H ATOM 5808 H2 TIP3A 669 -9.902 45.997 45.435 1.00 0.00 WATA H ATOM 5809 OH2 TIP3A 670 -26.233 -29.571 -24.381 1.00 0.00 WATA O ATOM 5810 H1 TIP3A 670 -25.823 -30.470 -24.228 1.00 0.00 WATA H ATOM 5811 H2 TIP3A 670 -25.567 -28.859 -24.159 1.00 0.00 WATA H ATOM 5812 OH2 TIP3A 671 2.721 -51.024 26.865 1.00 0.00 WATA O ATOM 5813 H1 TIP3A 671 1.855 -50.568 26.657 1.00 0.00 WATA H ATOM 5814 H2 TIP3A 671 3.470 -50.367 26.790 1.00 0.00 WATA H ATOM 5815 OH2 TIP3A 672 -2.077 -30.350 -0.894 1.00 0.00 WATA O ATOM 5816 H1 TIP3A 672 -2.883 -29.759 -0.862 1.00 0.00 WATA H ATOM 5817 H2 TIP3A 672 -2.363 -31.307 -0.872 1.00 0.00 WATA H ATOM 5818 OH2 TIP3A 673 26.412 -4.487 7.330 1.00 0.00 WATA O ATOM 5819 H1 TIP3A 673 25.450 -4.748 7.238 1.00 0.00 WATA H ATOM 5820 H2 TIP3A 673 26.975 -5.310 7.396 1.00 0.00 WATA H ATOM 5821 OH2 TIP3A 674 -9.374 -45.594 -0.243 1.00 0.00 WATA O ATOM 5822 H1 TIP3A 674 -8.736 -46.001 -0.896 1.00 0.00 WATA H ATOM 5823 H2 TIP3A 674 -8.962 -44.778 0.161 1.00 0.00 WATA H ATOM 5824 OH2 TIP3A 675 -33.246 36.407 -49.518 1.00 0.00 WATA O ATOM 5825 H1 TIP3A 675 -34.104 36.906 -49.395 1.00 0.00 WATA H ATOM 5826 H2 TIP3A 675 -32.503 36.905 -49.071 1.00 0.00 WATA H ATOM 5827 OH2 TIP3A 676 12.349 -34.806 -9.221 1.00 0.00 WATA O ATOM 5828 H1 TIP3A 676 12.481 -35.697 -8.787 1.00 0.00 WATA H ATOM 5829 H2 TIP3A 676 13.207 -34.509 -9.639 1.00 0.00 WATA H ATOM 5830 OH2 TIP3A 677 -26.415 -7.341 -42.690 1.00 0.00 WATA O ATOM 5831 H1 TIP3A 677 -25.632 -6.733 -42.824 1.00 0.00 WATA H ATOM 5832 H2 TIP3A 677 -26.096 -8.284 -42.611 1.00 0.00 WATA H ATOM 5833 OH2 TIP3A 678 34.239 -22.418 28.459 1.00 0.00 WATA O ATOM 5834 H1 TIP3A 678 34.141 -22.117 27.510 1.00 0.00 WATA H ATOM 5835 H2 TIP3A 678 33.656 -21.861 29.049 1.00 0.00 WATA H ATOM 5836 OH2 TIP3A 679 -31.035 3.014 -50.464 1.00 0.00 WATA O ATOM 5837 H1 TIP3A 679 -31.762 3.417 -51.019 1.00 0.00 WATA H ATOM 5838 H2 TIP3A 679 -30.167 3.465 -50.672 1.00 0.00 WATA H ATOM 5839 OH2 TIP3A 680 50.455 -24.219 3.433 1.00 0.00 WATA O ATOM 5840 H1 TIP3A 680 51.206 -24.682 2.963 1.00 0.00 WATA H ATOM 5841 H2 TIP3A 680 50.137 -24.786 4.193 1.00 0.00 WATA H ATOM 5842 OH2 TIP3A 681 -47.672 19.931 -9.066 1.00 0.00 WATA O ATOM 5843 H1 TIP3A 681 -46.710 20.202 -9.083 1.00 0.00 WATA H ATOM 5844 H2 TIP3A 681 -48.250 20.747 -9.064 1.00 0.00 WATA H ATOM 5845 OH2 TIP3A 682 37.274 43.586 27.521 1.00 0.00 WATA O ATOM 5846 H1 TIP3A 682 37.497 43.088 26.683 1.00 0.00 WATA H ATOM 5847 H2 TIP3A 682 37.845 44.404 27.586 1.00 0.00 WATA H ATOM 5848 OH2 TIP3A 683 32.079 22.410 46.781 1.00 0.00 WATA O ATOM 5849 H1 TIP3A 683 31.332 23.070 46.859 1.00 0.00 WATA H ATOM 5850 H2 TIP3A 683 31.706 21.510 46.555 1.00 0.00 WATA H ATOM 5851 OH2 TIP3A 684 46.001 15.066 11.771 1.00 0.00 WATA O ATOM 5852 H1 TIP3A 684 45.992 14.265 11.172 1.00 0.00 WATA H ATOM 5853 H2 TIP3A 684 45.971 14.770 12.725 1.00 0.00 WATA H ATOM 5854 OH2 TIP3A 685 41.956 -36.135 16.675 1.00 0.00 WATA O ATOM 5855 H1 TIP3A 685 41.284 -36.652 17.206 1.00 0.00 WATA H ATOM 5856 H2 TIP3A 685 42.742 -36.719 16.473 1.00 0.00 WATA H ATOM 5857 OH2 TIP3A 686 34.961 26.387 -27.051 1.00 0.00 WATA O ATOM 5858 H1 TIP3A 686 35.793 26.931 -27.162 1.00 0.00 WATA H ATOM 5859 H2 TIP3A 686 34.740 25.933 -27.914 1.00 0.00 WATA H ATOM 5860 OH2 TIP3A 687 -42.573 -19.198 -42.392 1.00 0.00 WATA O ATOM 5861 H1 TIP3A 687 -41.873 -19.894 -42.226 1.00 0.00 WATA H ATOM 5862 H2 TIP3A 687 -43.459 -19.641 -42.521 1.00 0.00 WATA H ATOM 5863 OH2 TIP3A 688 11.554 -19.504 47.394 1.00 0.00 WATA O ATOM 5864 H1 TIP3A 688 11.233 -19.864 48.271 1.00 0.00 WATA H ATOM 5865 H2 TIP3A 688 11.947 -18.595 47.530 1.00 0.00 WATA H ATOM 5866 OH2 TIP3A 689 -38.801 46.160 -34.404 1.00 0.00 WATA O ATOM 5867 H1 TIP3A 689 -39.558 45.508 -34.362 1.00 0.00 WATA H ATOM 5868 H2 TIP3A 689 -38.924 46.861 -33.702 1.00 0.00 WATA H ATOM 5869 OH2 TIP3A 690 -15.941 5.227 -23.456 1.00 0.00 WATA O ATOM 5870 H1 TIP3A 690 -15.657 4.936 -22.543 1.00 0.00 WATA H ATOM 5871 H2 TIP3A 690 -16.920 5.427 -23.453 1.00 0.00 WATA H ATOM 5872 OH2 TIP3A 691 -48.261 10.712 44.002 1.00 0.00 WATA O ATOM 5873 H1 TIP3A 691 -48.442 11.673 44.211 1.00 0.00 WATA H ATOM 5874 H2 TIP3A 691 -47.677 10.321 44.713 1.00 0.00 WATA H ATOM 5875 OH2 TIP3A 692 -12.779 44.656 -19.828 1.00 0.00 WATA O ATOM 5876 H1 TIP3A 692 -12.530 45.587 -20.095 1.00 0.00 WATA H ATOM 5877 H2 TIP3A 692 -13.742 44.494 -20.044 1.00 0.00 WATA H ATOM 5878 OH2 TIP3A 693 26.224 -20.043 -48.700 1.00 0.00 WATA O ATOM 5879 H1 TIP3A 693 27.094 -20.496 -48.502 1.00 0.00 WATA H ATOM 5880 H2 TIP3A 693 25.828 -19.696 -47.851 1.00 0.00 WATA H ATOM 5881 OH2 TIP3A 694 8.614 -41.384 -9.002 1.00 0.00 WATA O ATOM 5882 H1 TIP3A 694 7.636 -41.594 -9.006 1.00 0.00 WATA H ATOM 5883 H2 TIP3A 694 8.852 -40.922 -8.148 1.00 0.00 WATA H ATOM 5884 OH2 TIP3A 695 -7.896 50.418 46.648 1.00 0.00 WATA O ATOM 5885 H1 TIP3A 695 -7.333 50.306 47.467 1.00 0.00 WATA H ATOM 5886 H2 TIP3A 695 -8.659 51.031 46.848 1.00 0.00 WATA H ATOM 5887 OH2 TIP3A 696 -44.389 3.521 -50.969 1.00 0.00 WATA O ATOM 5888 H1 TIP3A 696 -43.584 2.930 -50.900 1.00 0.00 WATA H ATOM 5889 H2 TIP3A 696 -45.211 2.957 -51.035 1.00 0.00 WATA H ATOM 5890 OH2 TIP3A 697 16.421 2.165 -31.863 1.00 0.00 WATA O ATOM 5891 H1 TIP3A 697 16.616 3.088 -32.195 1.00 0.00 WATA H ATOM 5892 H2 TIP3A 697 16.309 1.548 -32.641 1.00 0.00 WATA H ATOM 5893 OH2 TIP3A 698 15.053 -48.625 -28.459 1.00 0.00 WATA O ATOM 5894 H1 TIP3A 698 15.652 -49.372 -28.171 1.00 0.00 WATA H ATOM 5895 H2 TIP3A 698 14.104 -48.939 -28.458 1.00 0.00 WATA H ATOM 5896 OH2 TIP3A 699 -38.509 -44.183 47.722 1.00 0.00 WATA O ATOM 5897 H1 TIP3A 699 -38.150 -43.741 46.899 1.00 0.00 WATA H ATOM 5898 H2 TIP3A 699 -37.890 -44.013 48.488 1.00 0.00 WATA H ATOM 5899 OH2 TIP3A 700 32.604 30.831 -36.756 1.00 0.00 WATA O ATOM 5900 H1 TIP3A 700 32.172 30.059 -37.223 1.00 0.00 WATA H ATOM 5901 H2 TIP3A 700 31.911 31.515 -36.531 1.00 0.00 WATA H ATOM 5902 OH2 TIP3A 701 -1.839 31.678 0.489 1.00 0.00 WATA O ATOM 5903 H1 TIP3A 701 -2.275 31.637 1.388 1.00 0.00 WATA H ATOM 5904 H2 TIP3A 701 -0.846 31.698 0.600 1.00 0.00 WATA H ATOM 5905 OH2 TIP3A 702 19.392 28.021 8.054 1.00 0.00 WATA O ATOM 5906 H1 TIP3A 702 18.596 28.221 7.483 1.00 0.00 WATA H ATOM 5907 H2 TIP3A 702 19.281 27.125 8.481 1.00 0.00 WATA H ATOM 5908 OH2 TIP3A 703 5.869 44.617 -23.764 1.00 0.00 WATA O ATOM 5909 H1 TIP3A 703 5.651 45.398 -24.349 1.00 0.00 WATA H ATOM 5910 H2 TIP3A 703 6.823 44.674 -23.472 1.00 0.00 WATA H ATOM 5911 OH2 TIP3A 704 -46.485 -1.928 9.424 1.00 0.00 WATA O ATOM 5912 H1 TIP3A 704 -46.670 -0.947 9.356 1.00 0.00 WATA H ATOM 5913 H2 TIP3A 704 -45.511 -2.095 9.275 1.00 0.00 WATA H ATOM 5914 OH2 TIP3A 705 27.192 37.118 -32.363 1.00 0.00 WATA O ATOM 5915 H1 TIP3A 705 27.002 37.246 -33.336 1.00 0.00 WATA H ATOM 5916 H2 TIP3A 705 27.572 36.206 -32.213 1.00 0.00 WATA H ATOM 5917 OH2 TIP3A 706 -21.181 -41.747 17.613 1.00 0.00 WATA O ATOM 5918 H1 TIP3A 706 -21.425 -42.407 16.902 1.00 0.00 WATA H ATOM 5919 H2 TIP3A 706 -21.940 -41.112 17.752 1.00 0.00 WATA H ATOM 5920 OH2 TIP3A 707 18.913 -35.278 -48.419 1.00 0.00 WATA O ATOM 5921 H1 TIP3A 707 19.859 -34.982 -48.554 1.00 0.00 WATA H ATOM 5922 H2 TIP3A 707 18.903 -36.223 -48.095 1.00 0.00 WATA H ATOM 5923 OH2 TIP3A 708 -14.252 -25.985 48.855 1.00 0.00 WATA O ATOM 5924 H1 TIP3A 708 -13.627 -26.758 48.970 1.00 0.00 WATA H ATOM 5925 H2 TIP3A 708 -13.802 -25.145 49.158 1.00 0.00 WATA H ATOM 5926 OH2 TIP3A 709 52.858 21.856 3.229 1.00 0.00 WATA O ATOM 5927 H1 TIP3A 709 53.345 21.221 3.830 1.00 0.00 WATA H ATOM 5928 H2 TIP3A 709 51.877 21.668 3.271 1.00 0.00 WATA H ATOM 5929 OH2 TIP3A 710 -41.015 35.604 8.397 1.00 0.00 WATA O ATOM 5930 H1 TIP3A 710 -40.084 35.920 8.217 1.00 0.00 WATA H ATOM 5931 H2 TIP3A 710 -40.998 34.632 8.630 1.00 0.00 WATA H ATOM 5932 OH2 TIP3A 711 -32.899 19.683 27.856 1.00 0.00 WATA O ATOM 5933 H1 TIP3A 711 -33.385 20.493 27.528 1.00 0.00 WATA H ATOM 5934 H2 TIP3A 711 -31.924 19.773 27.654 1.00 0.00 WATA H ATOM 5935 OH2 TIP3A 712 -10.017 36.130 -6.607 1.00 0.00 WATA O ATOM 5936 H1 TIP3A 712 -10.974 35.841 -6.576 1.00 0.00 WATA H ATOM 5937 H2 TIP3A 712 -9.431 35.330 -6.731 1.00 0.00 WATA H ATOM 5938 OH2 TIP3A 713 53.250 8.582 22.919 1.00 0.00 WATA O ATOM 5939 H1 TIP3A 713 53.345 8.274 23.866 1.00 0.00 WATA H ATOM 5940 H2 TIP3A 713 52.856 9.500 22.905 1.00 0.00 WATA H ATOM 5941 OH2 TIP3A 714 13.804 -29.232 -11.086 1.00 0.00 WATA O ATOM 5942 H1 TIP3A 714 12.859 -29.036 -11.346 1.00 0.00 WATA H ATOM 5943 H2 TIP3A 714 13.906 -30.211 -10.914 1.00 0.00 WATA H ATOM 5944 OH2 TIP3A 715 -50.740 31.337 22.860 1.00 0.00 WATA O ATOM 5945 H1 TIP3A 715 -49.762 31.468 23.021 1.00 0.00 WATA H ATOM 5946 H2 TIP3A 715 -51.085 30.621 23.465 1.00 0.00 WATA H ATOM 5947 OH2 TIP3A 716 -17.569 41.081 4.006 1.00 0.00 WATA O ATOM 5948 H1 TIP3A 716 -18.409 40.720 3.600 1.00 0.00 WATA H ATOM 5949 H2 TIP3A 716 -17.520 42.067 3.849 1.00 0.00 WATA H ATOM 5950 OH2 TIP3A 717 5.502 36.472 3.660 1.00 0.00 WATA O ATOM 5951 H1 TIP3A 717 6.445 36.773 3.808 1.00 0.00 WATA H ATOM 5952 H2 TIP3A 717 4.902 37.269 3.602 1.00 0.00 WATA H ATOM 5953 OH2 TIP3A 718 -14.864 -21.638 45.771 1.00 0.00 WATA O ATOM 5954 H1 TIP3A 718 -14.157 -21.076 45.340 1.00 0.00 WATA H ATOM 5955 H2 TIP3A 718 -14.881 -22.540 45.341 1.00 0.00 WATA H ATOM 5956 OH2 TIP3A 719 21.990 -7.374 23.927 1.00 0.00 WATA O ATOM 5957 H1 TIP3A 719 21.633 -6.929 23.105 1.00 0.00 WATA H ATOM 5958 H2 TIP3A 719 22.413 -6.690 24.520 1.00 0.00 WATA H ATOM 5959 OH2 TIP3A 720 14.512 24.440 49.942 1.00 0.00 WATA O ATOM 5960 H1 TIP3A 720 14.768 23.483 49.806 1.00 0.00 WATA H ATOM 5961 H2 TIP3A 720 15.215 24.899 50.485 1.00 0.00 WATA H ATOM 5962 OH2 TIP3A 721 27.678 31.249 24.965 1.00 0.00 WATA O ATOM 5963 H1 TIP3A 721 26.707 31.010 24.949 1.00 0.00 WATA H ATOM 5964 H2 TIP3A 721 28.085 31.047 24.075 1.00 0.00 WATA H ATOM 5965 OH2 TIP3A 722 32.861 -35.827 -51.029 1.00 0.00 WATA O ATOM 5966 H1 TIP3A 722 33.492 -36.107 -50.305 1.00 0.00 WATA H ATOM 5967 H2 TIP3A 722 32.448 -36.638 -51.442 1.00 0.00 WATA H ATOM 5968 OH2 TIP3A 723 -21.124 30.226 40.406 1.00 0.00 WATA O ATOM 5969 H1 TIP3A 723 -21.748 30.136 39.630 1.00 0.00 WATA H ATOM 5970 H2 TIP3A 723 -20.331 30.770 40.135 1.00 0.00 WATA H ATOM 5971 OH2 TIP3A 724 38.939 27.394 -51.616 1.00 0.00 WATA O ATOM 5972 H1 TIP3A 724 39.275 28.336 -51.621 1.00 0.00 WATA H ATOM 5973 H2 TIP3A 724 37.939 27.397 -51.604 1.00 0.00 WATA H ATOM 5974 OH2 TIP3A 725 40.399 16.529 5.714 1.00 0.00 WATA O ATOM 5975 H1 TIP3A 725 40.681 15.588 5.902 1.00 0.00 WATA H ATOM 5976 H2 TIP3A 725 39.415 16.554 5.542 1.00 0.00 WATA H ATOM 5977 OH2 TIP3A 726 -2.604 9.651 -45.604 1.00 0.00 WATA O ATOM 5978 H1 TIP3A 726 -2.341 10.152 -46.428 1.00 0.00 WATA H ATOM 5979 H2 TIP3A 726 -3.600 9.577 -45.561 1.00 0.00 WATA H ATOM 5980 OH2 TIP3A 727 30.760 21.369 11.354 1.00 0.00 WATA O ATOM 5981 H1 TIP3A 727 29.790 21.379 11.597 1.00 0.00 WATA H ATOM 5982 H2 TIP3A 727 30.897 21.881 10.506 1.00 0.00 WATA H ATOM 5983 OH2 TIP3A 728 16.148 -10.721 38.144 1.00 0.00 WATA O ATOM 5984 H1 TIP3A 728 16.309 -11.688 37.948 1.00 0.00 WATA H ATOM 5985 H2 TIP3A 728 15.212 -10.481 37.889 1.00 0.00 WATA H ATOM 5986 OH2 TIP3A 729 17.938 -2.988 25.769 1.00 0.00 WATA O ATOM 5987 H1 TIP3A 729 18.523 -3.416 26.459 1.00 0.00 WATA H ATOM 5988 H2 TIP3A 729 18.203 -2.031 25.654 1.00 0.00 WATA H ATOM 5989 OH2 TIP3A 730 29.104 -6.523 33.626 1.00 0.00 WATA O ATOM 5990 H1 TIP3A 730 28.552 -7.356 33.676 1.00 0.00 WATA H ATOM 5991 H2 TIP3A 730 28.505 -5.733 33.502 1.00 0.00 WATA H ATOM 5992 OH2 TIP3A 731 -0.785 -9.036 -38.585 1.00 0.00 WATA O ATOM 5993 H1 TIP3A 731 0.178 -9.269 -38.452 1.00 0.00 WATA H ATOM 5994 H2 TIP3A 731 -1.001 -8.204 -38.076 1.00 0.00 WATA H ATOM 5995 OH2 TIP3A 732 -51.713 -10.036 41.995 1.00 0.00 WATA O ATOM 5996 H1 TIP3A 732 -50.851 -9.894 41.508 1.00 0.00 WATA H ATOM 5997 H2 TIP3A 732 -51.523 -10.280 42.945 1.00 0.00 WATA H ATOM 5998 OH2 TIP3A 733 -40.243 -14.206 -46.547 1.00 0.00 WATA O ATOM 5999 H1 TIP3A 733 -39.301 -14.479 -46.742 1.00 0.00 WATA H ATOM 6000 H2 TIP3A 733 -40.873 -14.876 -46.938 1.00 0.00 WATA H ATOM 6001 OH2 TIP3A 734 20.698 44.341 -20.873 1.00 0.00 WATA O ATOM 6002 H1 TIP3A 734 19.968 43.737 -20.554 1.00 0.00 WATA H ATOM 6003 H2 TIP3A 734 20.298 45.144 -21.314 1.00 0.00 WATA H ATOM 6004 OH2 TIP3A 735 -25.085 48.906 39.657 1.00 0.00 WATA O ATOM 6005 H1 TIP3A 735 -24.371 48.253 39.404 1.00 0.00 WATA H ATOM 6006 H2 TIP3A 735 -24.717 49.834 39.621 1.00 0.00 WATA H ATOM 6007 OH2 TIP3A 736 23.080 -20.771 8.056 1.00 0.00 WATA O ATOM 6008 H1 TIP3A 736 23.280 -21.670 8.447 1.00 0.00 WATA H ATOM 6009 H2 TIP3A 736 23.318 -20.770 7.085 1.00 0.00 WATA H ATOM 6010 OH2 TIP3A 737 -47.815 -44.194 -3.786 1.00 0.00 WATA O ATOM 6011 H1 TIP3A 737 -46.966 -44.707 -3.916 1.00 0.00 WATA H ATOM 6012 H2 TIP3A 737 -48.551 -44.823 -3.541 1.00 0.00 WATA H ATOM 6013 OH2 TIP3A 738 -3.773 -53.304 17.411 1.00 0.00 WATA O ATOM 6014 H1 TIP3A 738 -4.749 -53.345 17.197 1.00 0.00 WATA H ATOM 6015 H2 TIP3A 738 -3.652 -53.204 18.398 1.00 0.00 WATA H ATOM 6016 OH2 TIP3A 739 -8.351 -28.030 -49.724 1.00 0.00 WATA O ATOM 6017 H1 TIP3A 739 -9.064 -28.123 -49.028 1.00 0.00 WATA H ATOM 6018 H2 TIP3A 739 -7.743 -28.822 -49.685 1.00 0.00 WATA H ATOM 6019 OH2 TIP3A 740 -30.151 -52.398 44.663 1.00 0.00 WATA O ATOM 6020 H1 TIP3A 740 -29.830 -53.345 44.635 1.00 0.00 WATA H ATOM 6021 H2 TIP3A 740 -31.149 -52.384 44.698 1.00 0.00 WATA H ATOM 6022 OH2 TIP3A 741 -48.810 -26.300 37.777 1.00 0.00 WATA O ATOM 6023 H1 TIP3A 741 -48.930 -26.197 38.765 1.00 0.00 WATA H ATOM 6024 H2 TIP3A 741 -48.211 -27.079 37.594 1.00 0.00 WATA H ATOM 6025 OH2 TIP3A 742 -16.416 3.859 39.514 1.00 0.00 WATA O ATOM 6026 H1 TIP3A 742 -16.069 4.796 39.466 1.00 0.00 WATA H ATOM 6027 H2 TIP3A 742 -17.324 3.818 39.100 1.00 0.00 WATA H ATOM 6028 OH2 TIP3A 743 -22.677 -6.961 27.045 1.00 0.00 WATA O ATOM 6029 H1 TIP3A 743 -21.854 -7.206 27.558 1.00 0.00 WATA H ATOM 6030 H2 TIP3A 743 -23.464 -7.445 27.426 1.00 0.00 WATA H ATOM 6031 OH2 TIP3A 744 -23.368 15.262 -25.571 1.00 0.00 WATA O ATOM 6032 H1 TIP3A 744 -23.121 14.759 -24.742 1.00 0.00 WATA H ATOM 6033 H2 TIP3A 744 -23.560 14.616 -26.309 1.00 0.00 WATA H ATOM 6034 OH2 TIP3A 745 -0.100 -11.546 52.923 1.00 0.00 WATA O ATOM 6035 H1 TIP3A 745 -0.810 -10.982 53.345 1.00 0.00 WATA H ATOM 6036 H2 TIP3A 745 -0.163 -12.479 53.273 1.00 0.00 WATA H ATOM 6037 OH2 TIP3A 746 -25.613 -29.153 -0.739 1.00 0.00 WATA O ATOM 6038 H1 TIP3A 746 -26.379 -28.601 -0.408 1.00 0.00 WATA H ATOM 6039 H2 TIP3A 746 -25.867 -29.594 -1.599 1.00 0.00 WATA H ATOM 6040 OH2 TIP3A 747 -30.063 33.690 -6.495 1.00 0.00 WATA O ATOM 6041 H1 TIP3A 747 -29.124 33.934 -6.737 1.00 0.00 WATA H ATOM 6042 H2 TIP3A 747 -30.636 34.509 -6.514 1.00 0.00 WATA H ATOM 6043 OH2 TIP3A 748 20.715 -25.111 -30.603 1.00 0.00 WATA O ATOM 6044 H1 TIP3A 748 21.045 -25.954 -30.177 1.00 0.00 WATA H ATOM 6045 H2 TIP3A 748 21.487 -24.607 -30.988 1.00 0.00 WATA H ATOM 6046 OH2 TIP3A 749 38.908 32.606 -33.091 1.00 0.00 WATA O ATOM 6047 H1 TIP3A 749 38.966 32.811 -34.068 1.00 0.00 WATA H ATOM 6048 H2 TIP3A 749 38.175 31.946 -32.932 1.00 0.00 WATA H ATOM 6049 OH2 TIP3A 750 -34.856 -42.231 44.687 1.00 0.00 WATA O ATOM 6050 H1 TIP3A 750 -34.962 -42.937 45.388 1.00 0.00 WATA H ATOM 6051 H2 TIP3A 750 -35.659 -41.635 44.690 1.00 0.00 WATA H ATOM 6052 OH2 TIP3A 751 -24.340 25.119 43.329 1.00 0.00 WATA O ATOM 6053 H1 TIP3A 751 -24.870 24.767 44.101 1.00 0.00 WATA H ATOM 6054 H2 TIP3A 751 -23.384 24.848 43.430 1.00 0.00 WATA H ATOM 6055 OH2 TIP3A 752 31.909 -28.995 20.571 1.00 0.00 WATA O ATOM 6056 H1 TIP3A 752 32.591 -29.614 20.961 1.00 0.00 WATA H ATOM 6057 H2 TIP3A 752 30.997 -29.389 20.683 1.00 0.00 WATA H ATOM 6058 OH2 TIP3A 753 51.090 -36.832 -41.030 1.00 0.00 WATA O ATOM 6059 H1 TIP3A 753 50.791 -35.888 -40.888 1.00 0.00 WATA H ATOM 6060 H2 TIP3A 753 50.296 -37.439 -41.014 1.00 0.00 WATA H ATOM 6061 OH2 TIP3A 754 -48.598 41.522 -3.217 1.00 0.00 WATA O ATOM 6062 H1 TIP3A 754 -48.236 42.430 -3.432 1.00 0.00 WATA H ATOM 6063 H2 TIP3A 754 -49.596 41.560 -3.185 1.00 0.00 WATA H ATOM 6064 OH2 TIP3A 755 -3.401 28.697 0.366 1.00 0.00 WATA O ATOM 6065 H1 TIP3A 755 -2.713 29.383 0.132 1.00 0.00 WATA H ATOM 6066 H2 TIP3A 755 -2.987 27.788 0.347 1.00 0.00 WATA H ATOM 6067 OH2 TIP3A 756 10.410 32.651 -13.272 1.00 0.00 WATA O ATOM 6068 H1 TIP3A 756 10.330 31.680 -13.499 1.00 0.00 WATA H ATOM 6069 H2 TIP3A 756 11.050 32.765 -12.513 1.00 0.00 WATA H ATOM 6070 OH2 TIP3A 757 -8.182 -13.187 -45.352 1.00 0.00 WATA O ATOM 6071 H1 TIP3A 757 -7.205 -13.199 -45.568 1.00 0.00 WATA H ATOM 6072 H2 TIP3A 757 -8.504 -14.122 -45.212 1.00 0.00 WATA H ATOM 6073 OH2 TIP3A 758 25.698 -23.800 32.927 1.00 0.00 WATA O ATOM 6074 H1 TIP3A 758 25.170 -23.124 33.443 1.00 0.00 WATA H ATOM 6075 H2 TIP3A 758 26.234 -23.337 32.222 1.00 0.00 WATA H ATOM 6076 OH2 TIP3A 759 37.755 -50.010 10.856 1.00 0.00 WATA O ATOM 6077 H1 TIP3A 759 38.622 -50.084 11.349 1.00 0.00 WATA H ATOM 6078 H2 TIP3A 759 37.560 -49.048 10.666 1.00 0.00 WATA H ATOM 6079 OH2 TIP3A 760 2.153 -18.720 -28.640 1.00 0.00 WATA O ATOM 6080 H1 TIP3A 760 1.346 -19.268 -28.861 1.00 0.00 WATA H ATOM 6081 H2 TIP3A 760 2.120 -17.859 -29.147 1.00 0.00 WATA H ATOM 6082 OH2 TIP3A 761 43.778 -27.681 29.206 1.00 0.00 WATA O ATOM 6083 H1 TIP3A 761 44.314 -28.408 29.633 1.00 0.00 WATA H ATOM 6084 H2 TIP3A 761 44.303 -26.830 29.213 1.00 0.00 WATA H ATOM 6085 OH2 TIP3A 762 -20.182 36.087 -22.970 1.00 0.00 WATA O ATOM 6086 H1 TIP3A 762 -21.006 36.635 -22.829 1.00 0.00 WATA H ATOM 6087 H2 TIP3A 762 -19.374 36.658 -22.831 1.00 0.00 WATA H ATOM 6088 OH2 TIP3A 763 9.547 5.685 -44.644 1.00 0.00 WATA O ATOM 6089 H1 TIP3A 763 8.762 6.221 -44.336 1.00 0.00 WATA H ATOM 6090 H2 TIP3A 763 9.340 5.270 -45.530 1.00 0.00 WATA H ATOM 6091 OH2 TIP3A 764 46.359 9.756 -2.746 1.00 0.00 WATA O ATOM 6092 H1 TIP3A 764 46.462 10.114 -1.818 1.00 0.00 WATA H ATOM 6093 H2 TIP3A 764 47.230 9.375 -3.055 1.00 0.00 WATA H ATOM 6094 OH2 TIP3A 765 -23.257 35.500 30.067 1.00 0.00 WATA O ATOM 6095 H1 TIP3A 765 -23.223 34.845 29.312 1.00 0.00 WATA H ATOM 6096 H2 TIP3A 765 -23.024 35.037 30.921 1.00 0.00 WATA H ATOM 6097 OH2 TIP3A 766 -22.873 25.689 -12.371 1.00 0.00 WATA O ATOM 6098 H1 TIP3A 766 -22.250 26.405 -12.688 1.00 0.00 WATA H ATOM 6099 H2 TIP3A 766 -23.670 25.650 -12.972 1.00 0.00 WATA H ATOM 6100 OH2 TIP3A 767 31.470 2.094 25.350 1.00 0.00 WATA O ATOM 6101 H1 TIP3A 767 30.817 2.104 24.593 1.00 0.00 WATA H ATOM 6102 H2 TIP3A 767 32.394 1.962 24.992 1.00 0.00 WATA H ATOM 6103 OH2 TIP3A 768 -38.135 -34.438 -42.740 1.00 0.00 WATA O ATOM 6104 H1 TIP3A 768 -39.080 -34.624 -42.469 1.00 0.00 WATA H ATOM 6105 H2 TIP3A 768 -37.921 -33.477 -42.570 1.00 0.00 WATA H ATOM 6106 OH2 TIP3A 769 -21.162 -30.655 -13.404 1.00 0.00 WATA O ATOM 6107 H1 TIP3A 769 -21.066 -30.775 -14.392 1.00 0.00 WATA H ATOM 6108 H2 TIP3A 769 -20.496 -29.982 -13.083 1.00 0.00 WATA H ATOM 6109 OH2 TIP3A 770 -50.692 35.697 -32.232 1.00 0.00 WATA O ATOM 6110 H1 TIP3A 770 -50.749 35.162 -31.390 1.00 0.00 WATA H ATOM 6111 H2 TIP3A 770 -50.115 36.499 -32.080 1.00 0.00 WATA H ATOM 6112 OH2 TIP3A 771 -48.446 -40.920 -40.565 1.00 0.00 WATA O ATOM 6113 H1 TIP3A 771 -47.757 -41.639 -40.657 1.00 0.00 WATA H ATOM 6114 H2 TIP3A 771 -49.341 -41.335 -40.401 1.00 0.00 WATA H ATOM 6115 OH2 TIP3A 772 -48.330 -24.538 -8.465 1.00 0.00 WATA O ATOM 6116 H1 TIP3A 772 -48.972 -25.250 -8.178 1.00 0.00 WATA H ATOM 6117 H2 TIP3A 772 -48.822 -23.677 -8.593 1.00 0.00 WATA H ATOM 6118 OH2 TIP3A 773 49.048 19.699 22.305 1.00 0.00 WATA O ATOM 6119 H1 TIP3A 773 48.333 19.720 23.004 1.00 0.00 WATA H ATOM 6120 H2 TIP3A 773 49.150 20.609 21.904 1.00 0.00 WATA H ATOM 6121 OH2 TIP3A 774 37.899 30.485 23.432 1.00 0.00 WATA O ATOM 6122 H1 TIP3A 774 38.454 31.273 23.165 1.00 0.00 WATA H ATOM 6123 H2 TIP3A 774 36.973 30.592 23.071 1.00 0.00 WATA H ATOM 6124 OH2 TIP3A 775 -3.425 -33.254 27.806 1.00 0.00 WATA O ATOM 6125 H1 TIP3A 775 -4.189 -32.995 27.214 1.00 0.00 WATA H ATOM 6126 H2 TIP3A 775 -2.867 -33.944 27.348 1.00 0.00 WATA H ATOM 6127 OH2 TIP3A 776 -37.988 45.768 -18.385 1.00 0.00 WATA O ATOM 6128 H1 TIP3A 776 -37.102 45.593 -18.814 1.00 0.00 WATA H ATOM 6129 H2 TIP3A 776 -38.640 46.071 -19.079 1.00 0.00 WATA H ATOM 6130 OH2 TIP3A 777 42.522 -39.559 41.696 1.00 0.00 WATA O ATOM 6131 H1 TIP3A 777 42.338 -40.489 41.377 1.00 0.00 WATA H ATOM 6132 H2 TIP3A 777 42.488 -39.536 42.695 1.00 0.00 WATA H ATOM 6133 OH2 TIP3A 778 38.420 -44.606 -7.689 1.00 0.00 WATA O ATOM 6134 H1 TIP3A 778 38.168 -44.559 -8.656 1.00 0.00 WATA H ATOM 6135 H2 TIP3A 778 39.407 -44.478 -7.594 1.00 0.00 WATA H ATOM 6136 OH2 TIP3A 779 35.067 24.342 -52.722 1.00 0.00 WATA O ATOM 6137 H1 TIP3A 779 34.475 24.598 -51.958 1.00 0.00 WATA H ATOM 6138 H2 TIP3A 779 36.024 24.448 -52.453 1.00 0.00 WATA H ATOM 6139 OH2 TIP3A 780 -39.040 -26.862 -17.094 1.00 0.00 WATA O ATOM 6140 H1 TIP3A 780 -39.918 -26.651 -17.525 1.00 0.00 WATA H ATOM 6141 H2 TIP3A 780 -38.939 -26.320 -16.260 1.00 0.00 WATA H ATOM 6142 OH2 TIP3A 781 -27.480 28.916 6.433 1.00 0.00 WATA O ATOM 6143 H1 TIP3A 781 -27.331 28.063 5.933 1.00 0.00 WATA H ATOM 6144 H2 TIP3A 781 -26.853 28.962 7.210 1.00 0.00 WATA H ATOM 6145 OH2 TIP3A 782 -51.853 5.704 28.474 1.00 0.00 WATA O ATOM 6146 H1 TIP3A 782 -52.110 4.899 27.939 1.00 0.00 WATA H ATOM 6147 H2 TIP3A 782 -51.527 6.422 27.860 1.00 0.00 WATA H ATOM 6148 OH2 TIP3A 783 -50.721 51.849 -10.811 1.00 0.00 WATA O ATOM 6149 H1 TIP3A 783 -49.728 51.743 -10.847 1.00 0.00 WATA H ATOM 6150 H2 TIP3A 783 -50.979 52.722 -11.222 1.00 0.00 WATA H ATOM 6151 OH2 TIP3A 784 4.546 -46.964 -38.317 1.00 0.00 WATA O ATOM 6152 H1 TIP3A 784 4.180 -47.659 -37.698 1.00 0.00 WATA H ATOM 6153 H2 TIP3A 784 5.392 -46.591 -37.937 1.00 0.00 WATA H ATOM 6154 OH2 TIP3A 785 -29.817 -15.190 -45.411 1.00 0.00 WATA O ATOM 6155 H1 TIP3A 785 -30.243 -14.398 -45.849 1.00 0.00 WATA H ATOM 6156 H2 TIP3A 785 -28.998 -14.898 -44.918 1.00 0.00 WATA H ATOM 6157 OH2 TIP3A 786 -19.134 41.778 18.319 1.00 0.00 WATA O ATOM 6158 H1 TIP3A 786 -19.202 40.914 18.819 1.00 0.00 WATA H ATOM 6159 H2 TIP3A 786 -18.897 41.594 17.366 1.00 0.00 WATA H ATOM 6160 OH2 TIP3A 787 -45.454 -38.142 50.736 1.00 0.00 WATA O ATOM 6161 H1 TIP3A 787 -46.283 -38.513 50.317 1.00 0.00 WATA H ATOM 6162 H2 TIP3A 787 -44.937 -38.881 51.164 1.00 0.00 WATA H ATOM 6163 OH2 TIP3A 788 21.676 25.988 -44.697 1.00 0.00 WATA O ATOM 6164 H1 TIP3A 788 21.226 26.819 -44.369 1.00 0.00 WATA H ATOM 6165 H2 TIP3A 788 22.328 26.223 -45.417 1.00 0.00 WATA H ATOM 6166 OH2 TIP3A 789 24.619 7.110 49.776 1.00 0.00 WATA O ATOM 6167 H1 TIP3A 789 25.219 7.467 49.060 1.00 0.00 WATA H ATOM 6168 H2 TIP3A 789 24.040 7.846 50.123 1.00 0.00 WATA H ATOM 6169 OH2 TIP3A 790 34.147 49.255 33.117 1.00 0.00 WATA O ATOM 6170 H1 TIP3A 790 33.924 48.290 32.979 1.00 0.00 WATA H ATOM 6171 H2 TIP3A 790 33.436 49.824 32.705 1.00 0.00 WATA H ATOM 6172 OH2 TIP3A 791 21.033 -52.865 -30.054 1.00 0.00 WATA O ATOM 6173 H1 TIP3A 791 21.009 -53.345 -30.931 1.00 0.00 WATA H ATOM 6174 H2 TIP3A 791 20.099 -52.684 -29.747 1.00 0.00 WATA H ATOM 6175 OH2 TIP3A 792 -28.603 -20.049 35.843 1.00 0.00 WATA O ATOM 6176 H1 TIP3A 792 -28.010 -20.834 36.027 1.00 0.00 WATA H ATOM 6177 H2 TIP3A 792 -29.522 -20.237 36.190 1.00 0.00 WATA H ATOM 6178 OH2 TIP3A 793 -38.704 -30.921 -15.099 1.00 0.00 WATA O ATOM 6179 H1 TIP3A 793 -38.632 -29.938 -14.931 1.00 0.00 WATA H ATOM 6180 H2 TIP3A 793 -37.789 -31.323 -15.122 1.00 0.00 WATA H ATOM 6181 OH2 TIP3A 794 -43.335 -3.003 7.535 1.00 0.00 WATA O ATOM 6182 H1 TIP3A 794 -43.435 -3.187 8.513 1.00 0.00 WATA H ATOM 6183 H2 TIP3A 794 -42.370 -2.859 7.319 1.00 0.00 WATA H ATOM 6184 OH2 TIP3A 795 -46.316 27.672 47.678 1.00 0.00 WATA O ATOM 6185 H1 TIP3A 795 -46.870 28.504 47.625 1.00 0.00 WATA H ATOM 6186 H2 TIP3A 795 -45.402 27.857 47.317 1.00 0.00 WATA H ATOM 6187 OH2 TIP3A 796 50.474 3.026 47.540 1.00 0.00 WATA O ATOM 6188 H1 TIP3A 796 49.504 2.968 47.306 1.00 0.00 WATA H ATOM 6189 H2 TIP3A 796 50.725 2.252 48.120 1.00 0.00 WATA H ATOM 6190 OH2 TIP3A 797 33.317 14.553 21.889 1.00 0.00 WATA O ATOM 6191 H1 TIP3A 797 34.168 15.026 21.658 1.00 0.00 WATA H ATOM 6192 H2 TIP3A 797 33.293 13.665 21.430 1.00 0.00 WATA H ATOM 6193 OH2 TIP3A 798 -39.312 51.986 36.317 1.00 0.00 WATA O ATOM 6194 H1 TIP3A 798 -39.916 51.190 36.296 1.00 0.00 WATA H ATOM 6195 H2 TIP3A 798 -39.861 52.821 36.348 1.00 0.00 WATA H ATOM 6196 OH2 TIP3A 799 40.272 48.215 -3.767 1.00 0.00 WATA O ATOM 6197 H1 TIP3A 799 40.351 47.277 -3.431 1.00 0.00 WATA H ATOM 6198 H2 TIP3A 799 39.307 48.447 -3.886 1.00 0.00 WATA H ATOM 6199 OH2 TIP3A 800 -30.869 -41.203 -21.445 1.00 0.00 WATA O ATOM 6200 H1 TIP3A 800 -31.090 -42.176 -21.376 1.00 0.00 WATA H ATOM 6201 H2 TIP3A 800 -29.924 -41.055 -21.155 1.00 0.00 WATA H ATOM 6202 OH2 TIP3A 801 51.289 9.150 24.945 1.00 0.00 WATA O ATOM 6203 H1 TIP3A 801 50.747 8.960 24.126 1.00 0.00 WATA H ATOM 6204 H2 TIP3A 801 51.679 8.298 25.292 1.00 0.00 WATA H ATOM 6205 OH2 TIP3A 802 38.463 6.807 51.949 1.00 0.00 WATA O ATOM 6206 H1 TIP3A 802 38.067 7.717 52.079 1.00 0.00 WATA H ATOM 6207 H2 TIP3A 802 39.460 6.872 51.966 1.00 0.00 WATA H ATOM 6208 OH2 TIP3A 803 -3.432 -1.803 -27.803 1.00 0.00 WATA O ATOM 6209 H1 TIP3A 803 -2.882 -1.603 -28.615 1.00 0.00 WATA H ATOM 6210 H2 TIP3A 803 -2.920 -1.550 -26.983 1.00 0.00 WATA H ATOM 6211 OH2 TIP3A 804 -30.217 -42.453 -44.948 1.00 0.00 WATA O ATOM 6212 H1 TIP3A 804 -30.973 -41.874 -44.640 1.00 0.00 WATA H ATOM 6213 H2 TIP3A 804 -30.226 -42.510 -45.945 1.00 0.00 WATA H ATOM 6214 OH2 TIP3A 805 -8.022 -14.949 26.121 1.00 0.00 WATA O ATOM 6215 H1 TIP3A 805 -8.824 -14.540 26.557 1.00 0.00 WATA H ATOM 6216 H2 TIP3A 805 -8.190 -15.920 25.957 1.00 0.00 WATA H ATOM 6217 OH2 TIP3A 806 -19.477 15.055 -41.493 1.00 0.00 WATA O ATOM 6218 H1 TIP3A 806 -20.049 14.608 -40.805 1.00 0.00 WATA H ATOM 6219 H2 TIP3A 806 -18.688 14.477 -41.698 1.00 0.00 WATA H ATOM 6220 OH2 TIP3A 807 45.461 -22.662 -41.618 1.00 0.00 WATA O ATOM 6221 H1 TIP3A 807 45.892 -22.002 -41.002 1.00 0.00 WATA H ATOM 6222 H2 TIP3A 807 45.738 -22.468 -42.559 1.00 0.00 WATA H ATOM 6223 OH2 TIP3A 808 -19.870 -50.588 32.627 1.00 0.00 WATA O ATOM 6224 H1 TIP3A 808 -20.723 -50.246 32.235 1.00 0.00 WATA H ATOM 6225 H2 TIP3A 808 -20.001 -51.527 32.945 1.00 0.00 WATA H ATOM 6226 OH2 TIP3A 809 35.622 22.708 -42.488 1.00 0.00 WATA O ATOM 6227 H1 TIP3A 809 36.045 21.934 -42.960 1.00 0.00 WATA H ATOM 6228 H2 TIP3A 809 34.629 22.652 -42.578 1.00 0.00 WATA H ATOM 6229 OH2 TIP3A 810 -34.828 18.591 27.148 1.00 0.00 WATA O ATOM 6230 H1 TIP3A 810 -35.605 18.318 27.715 1.00 0.00 WATA H ATOM 6231 H2 TIP3A 810 -34.296 17.782 26.898 1.00 0.00 WATA H ATOM 6232 OH2 TIP3A 811 -46.715 -21.714 -5.485 1.00 0.00 WATA O ATOM 6233 H1 TIP3A 811 -46.315 -20.935 -5.002 1.00 0.00 WATA H ATOM 6234 H2 TIP3A 811 -47.200 -21.391 -6.297 1.00 0.00 WATA H ATOM 6235 OH2 TIP3A 812 -2.358 -11.410 -50.807 1.00 0.00 WATA O ATOM 6236 H1 TIP3A 812 -2.567 -12.198 -51.386 1.00 0.00 WATA H ATOM 6237 H2 TIP3A 812 -1.802 -11.704 -50.031 1.00 0.00 WATA H ATOM 6238 OH2 TIP3A 813 25.299 23.054 -0.633 1.00 0.00 WATA O ATOM 6239 H1 TIP3A 813 24.875 23.959 -0.576 1.00 0.00 WATA H ATOM 6240 H2 TIP3A 813 26.283 23.156 -0.775 1.00 0.00 WATA H ATOM 6241 OH2 TIP3A 814 48.484 42.542 -19.841 1.00 0.00 WATA O ATOM 6242 H1 TIP3A 814 48.271 41.565 -19.809 1.00 0.00 WATA H ATOM 6243 H2 TIP3A 814 49.421 42.669 -20.164 1.00 0.00 WATA H ATOM 6244 OH2 TIP3A 815 39.588 -19.687 -6.227 1.00 0.00 WATA O ATOM 6245 H1 TIP3A 815 40.502 -19.280 -6.216 1.00 0.00 WATA H ATOM 6246 H2 TIP3A 815 39.596 -20.538 -5.703 1.00 0.00 WATA H ATOM 6247 OH2 TIP3A 816 47.224 -40.112 49.075 1.00 0.00 WATA O ATOM 6248 H1 TIP3A 816 47.345 -39.609 48.219 1.00 0.00 WATA H ATOM 6249 H2 TIP3A 816 48.118 -40.338 49.459 1.00 0.00 WATA H ATOM 6250 OH2 TIP3A 817 -7.960 1.790 -26.861 1.00 0.00 WATA O ATOM 6251 H1 TIP3A 817 -6.994 2.052 -26.869 1.00 0.00 WATA H ATOM 6252 H2 TIP3A 817 -8.489 2.452 -27.391 1.00 0.00 WATA H ATOM 6253 OH2 TIP3A 818 31.384 -11.560 -24.504 1.00 0.00 WATA O ATOM 6254 H1 TIP3A 818 31.295 -11.324 -23.536 1.00 0.00 WATA H ATOM 6255 H2 TIP3A 818 31.968 -12.366 -24.598 1.00 0.00 WATA H ATOM 6256 OH2 TIP3A 819 31.813 30.863 49.080 1.00 0.00 WATA O ATOM 6257 H1 TIP3A 819 32.216 31.773 49.180 1.00 0.00 WATA H ATOM 6258 H2 TIP3A 819 32.256 30.231 49.715 1.00 0.00 WATA H ATOM 6259 OH2 TIP3A 820 11.558 -28.494 39.631 1.00 0.00 WATA O ATOM 6260 H1 TIP3A 820 11.237 -29.436 39.532 1.00 0.00 WATA H ATOM 6261 H2 TIP3A 820 11.024 -28.032 40.338 1.00 0.00 WATA H ATOM 6262 OH2 TIP3A 821 2.829 -35.123 43.129 1.00 0.00 WATA O ATOM 6263 H1 TIP3A 821 3.423 -34.319 43.133 1.00 0.00 WATA H ATOM 6264 H2 TIP3A 821 3.319 -35.902 43.520 1.00 0.00 WATA H ATOM 6265 OH2 TIP3A 822 14.149 -26.544 -12.434 1.00 0.00 WATA O ATOM 6266 H1 TIP3A 822 14.621 -27.226 -12.993 1.00 0.00 WATA H ATOM 6267 H2 TIP3A 822 13.418 -26.986 -11.916 1.00 0.00 WATA H ATOM 6268 OH2 TIP3A 823 43.718 9.179 25.163 1.00 0.00 WATA O ATOM 6269 H1 TIP3A 823 42.810 9.598 25.184 1.00 0.00 WATA H ATOM 6270 H2 TIP3A 823 43.874 8.679 26.014 1.00 0.00 WATA H ATOM 6271 OH2 TIP3A 824 -11.992 -31.322 11.765 1.00 0.00 WATA O ATOM 6272 H1 TIP3A 824 -11.984 -31.738 12.674 1.00 0.00 WATA H ATOM 6273 H2 TIP3A 824 -11.395 -31.842 11.155 1.00 0.00 WATA H ATOM 6274 OH2 TIP3A 825 42.598 32.467 22.491 1.00 0.00 WATA O ATOM 6275 H1 TIP3A 825 41.745 32.671 22.972 1.00 0.00 WATA H ATOM 6276 H2 TIP3A 825 42.742 33.140 21.766 1.00 0.00 WATA H ATOM 6277 OH2 TIP3A 826 37.685 22.995 -49.447 1.00 0.00 WATA O ATOM 6278 H1 TIP3A 826 38.032 23.204 -50.362 1.00 0.00 WATA H ATOM 6279 H2 TIP3A 826 36.822 23.477 -49.299 1.00 0.00 WATA H ATOM 6280 OH2 TIP3A 827 -52.781 10.907 -50.369 1.00 0.00 WATA O ATOM 6281 H1 TIP3A 827 -52.982 10.731 -51.333 1.00 0.00 WATA H ATOM 6282 H2 TIP3A 827 -51.913 11.397 -50.294 1.00 0.00 WATA H ATOM 6283 OH2 TIP3A 828 6.829 -40.105 -2.659 1.00 0.00 WATA O ATOM 6284 H1 TIP3A 828 6.201 -40.880 -2.742 1.00 0.00 WATA H ATOM 6285 H2 TIP3A 828 7.738 -40.379 -2.970 1.00 0.00 WATA H ATOM 6286 OH2 TIP3A 829 -24.946 -24.729 -22.059 1.00 0.00 WATA O ATOM 6287 H1 TIP3A 829 -24.513 -24.155 -22.754 1.00 0.00 WATA H ATOM 6288 H2 TIP3A 829 -24.854 -24.296 -21.163 1.00 0.00 WATA H ATOM 6289 OH2 TIP3A 830 33.105 9.865 1.646 1.00 0.00 WATA O ATOM 6290 H1 TIP3A 830 32.109 9.930 1.708 1.00 0.00 WATA H ATOM 6291 H2 TIP3A 830 33.501 10.782 1.658 1.00 0.00 WATA H ATOM 6292 OH2 TIP3A 831 -29.252 35.575 51.251 1.00 0.00 WATA O ATOM 6293 H1 TIP3A 831 -28.513 35.025 50.862 1.00 0.00 WATA H ATOM 6294 H2 TIP3A 831 -29.313 36.445 50.763 1.00 0.00 WATA H ATOM 6295 OH2 TIP3A 832 -34.352 31.322 44.661 1.00 0.00 WATA O ATOM 6296 H1 TIP3A 832 -33.691 30.604 44.880 1.00 0.00 WATA H ATOM 6297 H2 TIP3A 832 -35.276 30.944 44.684 1.00 0.00 WATA H ATOM 6298 OH2 TIP3A 833 -25.490 4.933 -8.248 1.00 0.00 WATA O ATOM 6299 H1 TIP3A 833 -24.593 5.352 -8.104 1.00 0.00 WATA H ATOM 6300 H2 TIP3A 833 -25.697 4.317 -7.488 1.00 0.00 WATA H ATOM 6301 OH2 TIP3A 834 27.444 -36.580 44.468 1.00 0.00 WATA O ATOM 6302 H1 TIP3A 834 26.674 -35.940 44.468 1.00 0.00 WATA H ATOM 6303 H2 TIP3A 834 28.279 -36.097 44.206 1.00 0.00 WATA H ATOM 6304 OH2 TIP3A 835 -35.846 -50.409 48.648 1.00 0.00 WATA O ATOM 6305 H1 TIP3A 835 -36.023 -50.747 47.723 1.00 0.00 WATA H ATOM 6306 H2 TIP3A 835 -36.669 -49.968 49.005 1.00 0.00 WATA H ATOM 6307 OH2 TIP3A 836 51.750 -4.023 40.763 1.00 0.00 WATA O ATOM 6308 H1 TIP3A 836 51.939 -4.941 41.112 1.00 0.00 WATA H ATOM 6309 H2 TIP3A 836 51.308 -3.480 41.476 1.00 0.00 WATA H ATOM 6310 OH2 TIP3A 837 51.677 -22.627 32.115 1.00 0.00 WATA O ATOM 6311 H1 TIP3A 837 52.617 -22.607 32.457 1.00 0.00 WATA H ATOM 6312 H2 TIP3A 837 51.267 -23.517 32.317 1.00 0.00 WATA H ATOM 6313 OH2 TIP3A 838 24.410 -30.007 -45.236 1.00 0.00 WATA O ATOM 6314 H1 TIP3A 838 24.130 -29.347 -44.539 1.00 0.00 WATA H ATOM 6315 H2 TIP3A 838 23.673 -30.122 -45.901 1.00 0.00 WATA H ATOM 6316 OH2 TIP3A 839 -24.606 10.135 -38.610 1.00 0.00 WATA O ATOM 6317 H1 TIP3A 839 -23.880 9.464 -38.759 1.00 0.00 WATA H ATOM 6318 H2 TIP3A 839 -24.206 11.047 -38.527 1.00 0.00 WATA H ATOM 6319 OH2 TIP3A 840 -41.743 6.771 27.341 1.00 0.00 WATA O ATOM 6320 H1 TIP3A 840 -40.782 6.739 27.615 1.00 0.00 WATA H ATOM 6321 H2 TIP3A 840 -41.821 7.214 26.449 1.00 0.00 WATA H ATOM 6322 OH2 TIP3A 841 -52.174 -10.125 -16.693 1.00 0.00 WATA O ATOM 6323 H1 TIP3A 841 -52.699 -10.345 -17.516 1.00 0.00 WATA H ATOM 6324 H2 TIP3A 841 -52.786 -9.750 -15.997 1.00 0.00 WATA H ATOM 6325 OH2 TIP3A 842 -47.858 16.158 8.212 1.00 0.00 WATA O ATOM 6326 H1 TIP3A 842 -47.442 16.236 9.119 1.00 0.00 WATA H ATOM 6327 H2 TIP3A 842 -48.296 15.264 8.121 1.00 0.00 WATA H ATOM 6328 OH2 TIP3A 843 -20.388 -52.668 14.751 1.00 0.00 WATA O ATOM 6329 H1 TIP3A 843 -20.395 -53.259 13.945 1.00 0.00 WATA H ATOM 6330 H2 TIP3A 843 -21.199 -52.084 14.745 1.00 0.00 WATA H ATOM 6331 OH2 TIP3A 844 31.477 -16.410 38.282 1.00 0.00 WATA O ATOM 6332 H1 TIP3A 844 30.479 -16.351 38.251 1.00 0.00 WATA H ATOM 6333 H2 TIP3A 844 31.867 -15.490 38.254 1.00 0.00 WATA H ATOM 6334 OH2 TIP3A 845 -45.483 29.136 42.581 1.00 0.00 WATA O ATOM 6335 H1 TIP3A 845 -45.307 28.292 42.074 1.00 0.00 WATA H ATOM 6336 H2 TIP3A 845 -46.407 29.112 42.960 1.00 0.00 WATA H ATOM 6337 OH2 TIP3A 846 -5.027 -30.401 26.997 1.00 0.00 WATA O ATOM 6338 H1 TIP3A 846 -5.418 -31.190 26.522 1.00 0.00 WATA H ATOM 6339 H2 TIP3A 846 -4.516 -29.840 26.347 1.00 0.00 WATA H ATOM 6340 OH2 TIP3A 847 24.383 -25.696 -2.375 1.00 0.00 WATA O ATOM 6341 H1 TIP3A 847 24.259 -24.705 -2.312 1.00 0.00 WATA H ATOM 6342 H2 TIP3A 847 25.352 -25.903 -2.503 1.00 0.00 WATA H ATOM 6343 OH2 TIP3A 848 18.950 -18.399 -33.722 1.00 0.00 WATA O ATOM 6344 H1 TIP3A 848 19.026 -17.486 -33.321 1.00 0.00 WATA H ATOM 6345 H2 TIP3A 848 19.433 -18.421 -34.596 1.00 0.00 WATA H ATOM 6346 OH2 TIP3A 849 52.872 -44.639 -17.037 1.00 0.00 WATA O ATOM 6347 H1 TIP3A 849 52.646 -45.418 -16.452 1.00 0.00 WATA H ATOM 6348 H2 TIP3A 849 53.345 -43.943 -16.498 1.00 0.00 WATA H ATOM 6349 OH2 TIP3A 850 28.042 20.921 -5.359 1.00 0.00 WATA O ATOM 6350 H1 TIP3A 850 28.014 21.290 -4.430 1.00 0.00 WATA H ATOM 6351 H2 TIP3A 850 27.147 21.033 -5.789 1.00 0.00 WATA H ATOM 6352 OH2 TIP3A 851 2.260 20.838 39.839 1.00 0.00 WATA O ATOM 6353 H1 TIP3A 851 3.221 20.564 39.811 1.00 0.00 WATA H ATOM 6354 H2 TIP3A 851 1.997 21.223 38.955 1.00 0.00 WATA H ATOM 6355 OH2 TIP3A 852 22.466 35.346 53.345 1.00 0.00 WATA O ATOM 6356 H1 TIP3A 852 21.798 34.602 53.323 1.00 0.00 WATA H ATOM 6357 H2 TIP3A 852 21.989 36.224 53.326 1.00 0.00 WATA H ATOM 6358 OH2 TIP3A 853 -40.496 -2.065 13.979 1.00 0.00 WATA O ATOM 6359 H1 TIP3A 853 -40.013 -2.882 14.295 1.00 0.00 WATA H ATOM 6360 H2 TIP3A 853 -40.118 -1.772 13.102 1.00 0.00 WATA H ATOM 6361 OH2 TIP3A 854 -15.586 22.946 -48.598 1.00 0.00 WATA O ATOM 6362 H1 TIP3A 854 -14.764 22.716 -48.077 1.00 0.00 WATA H ATOM 6363 H2 TIP3A 854 -16.211 23.470 -48.021 1.00 0.00 WATA H ATOM 6364 OH2 TIP3A 855 -15.151 27.433 -38.063 1.00 0.00 WATA O ATOM 6365 H1 TIP3A 855 -14.469 28.151 -38.199 1.00 0.00 WATA H ATOM 6366 H2 TIP3A 855 -15.988 27.833 -37.690 1.00 0.00 WATA H ATOM 6367 OH2 TIP3A 856 33.288 28.780 -33.725 1.00 0.00 WATA O ATOM 6368 H1 TIP3A 856 33.364 27.998 -34.344 1.00 0.00 WATA H ATOM 6369 H2 TIP3A 856 33.431 29.626 -34.237 1.00 0.00 WATA H ATOM 6370 OH2 TIP3A 857 3.756 16.747 48.686 1.00 0.00 WATA O ATOM 6371 H1 TIP3A 857 4.659 17.162 48.572 1.00 0.00 WATA H ATOM 6372 H2 TIP3A 857 3.782 16.096 49.444 1.00 0.00 WATA H ATOM 6373 OH2 TIP3A 858 35.953 -10.569 8.672 1.00 0.00 WATA O ATOM 6374 H1 TIP3A 858 36.779 -11.134 8.669 1.00 0.00 WATA H ATOM 6375 H2 TIP3A 858 35.282 -10.963 9.299 1.00 0.00 WATA H ATOM 6376 OH2 TIP3A 859 -15.127 -4.616 30.315 1.00 0.00 WATA O ATOM 6377 H1 TIP3A 859 -14.154 -4.846 30.278 1.00 0.00 WATA H ATOM 6378 H2 TIP3A 859 -15.640 -5.394 30.675 1.00 0.00 WATA H ATOM 6379 OH2 TIP3A 860 40.794 -41.568 39.618 1.00 0.00 WATA O ATOM 6380 H1 TIP3A 860 40.308 -40.702 39.501 1.00 0.00 WATA H ATOM 6381 H2 TIP3A 860 40.152 -42.274 39.914 1.00 0.00 WATA H ATOM 6382 OH2 TIP3A 861 -42.218 -46.311 29.838 1.00 0.00 WATA O ATOM 6383 H1 TIP3A 861 -42.220 -47.135 29.272 1.00 0.00 WATA H ATOM 6384 H2 TIP3A 861 -42.291 -45.504 29.253 1.00 0.00 WATA H ATOM 6385 OH2 TIP3A 862 -33.745 21.202 50.170 1.00 0.00 WATA O ATOM 6386 H1 TIP3A 862 -33.050 21.185 50.889 1.00 0.00 WATA H ATOM 6387 H2 TIP3A 862 -34.273 20.354 50.196 1.00 0.00 WATA H ATOM 6388 OH2 TIP3A 863 6.260 45.766 42.891 1.00 0.00 WATA O ATOM 6389 H1 TIP3A 863 5.644 46.541 42.749 1.00 0.00 WATA H ATOM 6390 H2 TIP3A 863 7.200 46.098 42.965 1.00 0.00 WATA H ATOM 6391 OH2 TIP3A 864 -19.181 -37.086 -42.229 1.00 0.00 WATA O ATOM 6392 H1 TIP3A 864 -18.902 -36.443 -41.515 1.00 0.00 WATA H ATOM 6393 H2 TIP3A 864 -18.905 -38.011 -41.971 1.00 0.00 WATA H ATOM 6394 OH2 TIP3A 865 -32.483 -21.574 -46.864 1.00 0.00 WATA O ATOM 6395 H1 TIP3A 865 -32.578 -20.742 -46.316 1.00 0.00 WATA H ATOM 6396 H2 TIP3A 865 -31.882 -22.218 -46.392 1.00 0.00 WATA H ATOM 6397 OH2 TIP3A 866 -19.560 -12.862 -13.596 1.00 0.00 WATA O ATOM 6398 H1 TIP3A 866 -19.390 -12.338 -14.431 1.00 0.00 WATA H ATOM 6399 H2 TIP3A 866 -18.906 -13.615 -13.536 1.00 0.00 WATA H ATOM 6400 OH2 TIP3A 867 4.254 -41.489 43.191 1.00 0.00 WATA O ATOM 6401 H1 TIP3A 867 4.944 -41.280 42.498 1.00 0.00 WATA H ATOM 6402 H2 TIP3A 867 3.445 -40.924 43.037 1.00 0.00 WATA H ATOM 6403 OH2 TIP3A 868 8.026 -26.336 34.286 1.00 0.00 WATA O ATOM 6404 H1 TIP3A 868 8.019 -25.391 33.957 1.00 0.00 WATA H ATOM 6405 H2 TIP3A 868 7.958 -26.343 35.283 1.00 0.00 WATA H ATOM 6406 OH2 TIP3A 869 -32.778 42.838 36.010 1.00 0.00 WATA O ATOM 6407 H1 TIP3A 869 -32.442 43.671 36.450 1.00 0.00 WATA H ATOM 6408 H2 TIP3A 869 -33.770 42.896 35.899 1.00 0.00 WATA H ATOM 6409 OH2 TIP3A 870 -37.857 -50.272 -36.018 1.00 0.00 WATA O ATOM 6410 H1 TIP3A 870 -38.605 -49.609 -36.044 1.00 0.00 WATA H ATOM 6411 H2 TIP3A 870 -36.986 -49.797 -36.138 1.00 0.00 WATA H ATOM 6412 OH2 TIP3A 871 -36.926 -4.762 35.352 1.00 0.00 WATA O ATOM 6413 H1 TIP3A 871 -35.985 -5.078 35.476 1.00 0.00 WATA H ATOM 6414 H2 TIP3A 871 -36.950 -4.054 34.646 1.00 0.00 WATA H ATOM 6415 OH2 TIP3A 872 27.456 18.265 -7.733 1.00 0.00 WATA O ATOM 6416 H1 TIP3A 872 26.800 17.589 -7.396 1.00 0.00 WATA H ATOM 6417 H2 TIP3A 872 28.375 17.873 -7.719 1.00 0.00 WATA H ATOM 6418 OH2 TIP3A 873 6.580 -47.505 2.788 1.00 0.00 WATA O ATOM 6419 H1 TIP3A 873 7.328 -46.842 2.790 1.00 0.00 WATA H ATOM 6420 H2 TIP3A 873 5.705 -47.022 2.812 1.00 0.00 WATA H ATOM 6421 OH2 TIP3A 874 -32.438 -5.688 -26.170 1.00 0.00 WATA O ATOM 6422 H1 TIP3A 874 -32.155 -6.572 -26.542 1.00 0.00 WATA H ATOM 6423 H2 TIP3A 874 -33.354 -5.768 -25.778 1.00 0.00 WATA H ATOM 6424 OH2 TIP3A 875 4.882 38.597 -25.955 1.00 0.00 WATA O ATOM 6425 H1 TIP3A 875 5.562 39.032 -26.545 1.00 0.00 WATA H ATOM 6426 H2 TIP3A 875 4.216 39.279 -25.655 1.00 0.00 WATA H ATOM 6427 OH2 TIP3A 876 39.482 11.130 46.948 1.00 0.00 WATA O ATOM 6428 H1 TIP3A 876 39.503 11.868 47.623 1.00 0.00 WATA H ATOM 6429 H2 TIP3A 876 38.652 10.588 47.071 1.00 0.00 WATA H ATOM 6430 OH2 TIP3A 877 -34.749 -26.661 -18.816 1.00 0.00 WATA O ATOM 6431 H1 TIP3A 877 -34.931 -27.631 -18.649 1.00 0.00 WATA H ATOM 6432 H2 TIP3A 877 -35.566 -26.229 -19.196 1.00 0.00 WATA H ATOM 6433 OH2 TIP3A 878 14.621 35.443 40.284 1.00 0.00 WATA O ATOM 6434 H1 TIP3A 878 14.510 35.160 39.331 1.00 0.00 WATA H ATOM 6435 H2 TIP3A 878 15.395 34.957 40.688 1.00 0.00 WATA H ATOM 6436 OH2 TIP3A 879 27.845 -23.096 7.033 1.00 0.00 WATA O ATOM 6437 H1 TIP3A 879 28.249 -24.005 6.935 1.00 0.00 WATA H ATOM 6438 H2 TIP3A 879 28.570 -22.420 7.159 1.00 0.00 WATA H ATOM 6439 OH2 TIP3A 880 21.322 0.594 -24.469 1.00 0.00 WATA O ATOM 6440 H1 TIP3A 880 20.632 1.318 -24.433 1.00 0.00 WATA H ATOM 6441 H2 TIP3A 880 22.093 0.896 -25.030 1.00 0.00 WATA H ATOM 6442 OH2 TIP3A 881 -48.799 29.807 -13.304 1.00 0.00 WATA O ATOM 6443 H1 TIP3A 881 -49.479 30.530 -13.432 1.00 0.00 WATA H ATOM 6444 H2 TIP3A 881 -47.882 30.205 -13.321 1.00 0.00 WATA H ATOM 6445 OH2 TIP3A 882 10.937 -49.612 36.123 1.00 0.00 WATA O ATOM 6446 H1 TIP3A 882 10.446 -48.754 36.272 1.00 0.00 WATA H ATOM 6447 H2 TIP3A 882 11.894 -49.499 36.385 1.00 0.00 WATA H ATOM 6448 OH2 TIP3A 883 19.013 -2.686 -47.016 1.00 0.00 WATA O ATOM 6449 H1 TIP3A 883 18.929 -2.794 -48.007 1.00 0.00 WATA H ATOM 6450 H2 TIP3A 883 18.139 -2.902 -46.582 1.00 0.00 WATA H ATOM 6451 OH2 TIP3A 884 -31.868 10.232 -16.381 1.00 0.00 WATA O ATOM 6452 H1 TIP3A 884 -32.202 9.394 -16.813 1.00 0.00 WATA H ATOM 6453 H2 TIP3A 884 -32.274 10.324 -15.473 1.00 0.00 WATA H ATOM 6454 OH2 TIP3A 885 -36.266 51.659 -49.570 1.00 0.00 WATA O ATOM 6455 H1 TIP3A 885 -37.044 51.537 -50.187 1.00 0.00 WATA H ATOM 6456 H2 TIP3A 885 -36.219 52.614 -49.277 1.00 0.00 WATA H ATOM 6457 OH2 TIP3A 886 -50.613 -45.998 1.825 1.00 0.00 WATA O ATOM 6458 H1 TIP3A 886 -51.602 -46.145 1.828 1.00 0.00 WATA H ATOM 6459 H2 TIP3A 886 -50.144 -46.880 1.822 1.00 0.00 WATA H ATOM 6460 OH2 TIP3A 887 -2.297 38.458 32.064 1.00 0.00 WATA O ATOM 6461 H1 TIP3A 887 -2.073 39.433 32.100 1.00 0.00 WATA H ATOM 6462 H2 TIP3A 887 -1.454 37.922 32.065 1.00 0.00 WATA H ATOM 6463 OH2 TIP3A 888 -43.609 9.552 7.431 1.00 0.00 WATA O ATOM 6464 H1 TIP3A 888 -43.563 10.339 8.046 1.00 0.00 WATA H ATOM 6465 H2 TIP3A 888 -44.502 9.531 6.983 1.00 0.00 WATA H ATOM 6466 OH2 TIP3A 889 40.758 3.409 12.171 1.00 0.00 WATA O ATOM 6467 H1 TIP3A 889 40.084 3.843 12.768 1.00 0.00 WATA H ATOM 6468 H2 TIP3A 889 40.293 2.985 11.394 1.00 0.00 WATA H ATOM 6469 OH2 TIP3A 890 -16.038 -29.856 -27.172 1.00 0.00 WATA O ATOM 6470 H1 TIP3A 890 -15.919 -28.868 -27.272 1.00 0.00 WATA H ATOM 6471 H2 TIP3A 890 -16.706 -30.041 -26.452 1.00 0.00 WATA H ATOM 6472 OH2 TIP3A 891 29.219 31.903 26.391 1.00 0.00 WATA O ATOM 6473 H1 TIP3A 891 29.690 32.593 26.941 1.00 0.00 WATA H ATOM 6474 H2 TIP3A 891 29.774 31.072 26.353 1.00 0.00 WATA H ATOM 6475 OH2 TIP3A 892 -10.852 -42.710 -48.969 1.00 0.00 WATA O ATOM 6476 H1 TIP3A 892 -10.729 -43.127 -49.869 1.00 0.00 WATA H ATOM 6477 H2 TIP3A 892 -10.308 -41.874 -48.911 1.00 0.00 WATA H ATOM 6478 OH2 TIP3A 893 27.920 22.873 47.329 1.00 0.00 WATA O ATOM 6479 H1 TIP3A 893 27.105 22.299 47.248 1.00 0.00 WATA H ATOM 6480 H2 TIP3A 893 28.139 23.007 48.294 1.00 0.00 WATA H ATOM 6481 OH2 TIP3A 894 3.127 29.660 1.343 1.00 0.00 WATA O ATOM 6482 H1 TIP3A 894 3.779 30.399 1.517 1.00 0.00 WATA H ATOM 6483 H2 TIP3A 894 2.433 29.973 0.696 1.00 0.00 WATA H ATOM 6484 OH2 TIP3A 895 -52.883 22.619 1.422 1.00 0.00 WATA O ATOM 6485 H1 TIP3A 895 -53.324 23.487 1.192 1.00 0.00 WATA H ATOM 6486 H2 TIP3A 895 -53.343 21.874 0.941 1.00 0.00 WATA H ATOM 6487 OH2 TIP3A 896 -9.961 -44.324 -1.941 1.00 0.00 WATA O ATOM 6488 H1 TIP3A 896 -10.353 -43.441 -2.202 1.00 0.00 WATA H ATOM 6489 H2 TIP3A 896 -9.167 -44.520 -2.515 1.00 0.00 WATA H ATOM 6490 OH2 TIP3A 897 -2.020 -49.233 -18.713 1.00 0.00 WATA O ATOM 6491 H1 TIP3A 897 -2.534 -49.862 -18.128 1.00 0.00 WATA H ATOM 6492 H2 TIP3A 897 -1.105 -49.602 -18.876 1.00 0.00 WATA H ATOM 6493 OH2 TIP3A 898 -10.915 36.541 48.271 1.00 0.00 WATA O ATOM 6494 H1 TIP3A 898 -9.938 36.333 48.314 1.00 0.00 WATA H ATOM 6495 H2 TIP3A 898 -11.045 37.459 47.898 1.00 0.00 WATA H ATOM 6496 OH2 TIP3A 899 -48.192 28.521 -11.070 1.00 0.00 WATA O ATOM 6497 H1 TIP3A 899 -49.141 28.649 -11.360 1.00 0.00 WATA H ATOM 6498 H2 TIP3A 899 -47.658 29.330 -11.315 1.00 0.00 WATA H ATOM 6499 OH2 TIP3A 900 36.142 34.870 -14.084 1.00 0.00 WATA O ATOM 6500 H1 TIP3A 900 35.910 34.122 -14.706 1.00 0.00 WATA H ATOM 6501 H2 TIP3A 900 36.950 34.622 -13.551 1.00 0.00 WATA H ATOM 6502 OH2 TIP3A 901 -46.905 41.624 -48.621 1.00 0.00 WATA O ATOM 6503 H1 TIP3A 901 -47.641 40.947 -48.648 1.00 0.00 WATA H ATOM 6504 H2 TIP3A 901 -47.297 42.543 -48.647 1.00 0.00 WATA H ATOM 6505 OH2 TIP3A 902 29.121 38.721 -12.950 1.00 0.00 WATA O ATOM 6506 H1 TIP3A 902 29.281 38.085 -13.706 1.00 0.00 WATA H ATOM 6507 H2 TIP3A 902 29.648 38.429 -12.152 1.00 0.00 WATA H ATOM 6508 OH2 TIP3A 903 21.630 -45.860 -20.878 1.00 0.00 WATA O ATOM 6509 H1 TIP3A 903 20.683 -46.127 -20.697 1.00 0.00 WATA H ATOM 6510 H2 TIP3A 903 22.219 -46.666 -20.827 1.00 0.00 WATA H ATOM 6511 OH2 TIP3A 904 -21.980 40.484 8.983 1.00 0.00 WATA O ATOM 6512 H1 TIP3A 904 -22.615 41.188 8.665 1.00 0.00 WATA H ATOM 6513 H2 TIP3A 904 -22.037 39.687 8.382 1.00 0.00 WATA H ATOM 6514 OH2 TIP3A 905 20.005 -31.376 22.730 1.00 0.00 WATA O ATOM 6515 H1 TIP3A 905 20.858 -31.258 22.221 1.00 0.00 WATA H ATOM 6516 H2 TIP3A 905 19.943 -30.679 23.443 1.00 0.00 WATA H ATOM 6517 OH2 TIP3A 906 -20.367 26.813 38.372 1.00 0.00 WATA O ATOM 6518 H1 TIP3A 906 -20.881 26.220 38.993 1.00 0.00 WATA H ATOM 6519 H2 TIP3A 906 -20.906 26.981 37.548 1.00 0.00 WATA H ATOM 6520 OH2 TIP3A 907 -28.797 -25.349 20.833 1.00 0.00 WATA O ATOM 6521 H1 TIP3A 907 -27.932 -25.755 21.127 1.00 0.00 WATA H ATOM 6522 H2 TIP3A 907 -28.614 -24.577 20.225 1.00 0.00 WATA H ATOM 6523 OH2 TIP3A 908 -42.902 -7.996 -25.557 1.00 0.00 WATA O ATOM 6524 H1 TIP3A 908 -42.090 -7.426 -25.436 1.00 0.00 WATA H ATOM 6525 H2 TIP3A 908 -42.938 -8.686 -24.834 1.00 0.00 WATA H ATOM 6526 OH2 TIP3A 909 -0.124 2.017 46.040 1.00 0.00 WATA O ATOM 6527 H1 TIP3A 909 0.702 2.572 46.142 1.00 0.00 WATA H ATOM 6528 H2 TIP3A 909 -0.317 1.881 45.069 1.00 0.00 WATA H ATOM 6529 OH2 TIP3A 910 -18.664 43.526 29.439 1.00 0.00 WATA O ATOM 6530 H1 TIP3A 910 -18.009 42.940 28.961 1.00 0.00 WATA H ATOM 6531 H2 TIP3A 910 -19.498 43.607 28.894 1.00 0.00 WATA H ATOM 6532 OH2 TIP3A 911 -43.079 29.139 -2.801 1.00 0.00 WATA O ATOM 6533 H1 TIP3A 911 -43.024 28.141 -2.846 1.00 0.00 WATA H ATOM 6534 H2 TIP3A 911 -42.165 29.529 -2.907 1.00 0.00 WATA H ATOM 6535 OH2 TIP3A 912 10.153 -15.716 25.077 1.00 0.00 WATA O ATOM 6536 H1 TIP3A 912 10.599 -16.588 24.873 1.00 0.00 WATA H ATOM 6537 H2 TIP3A 912 9.530 -15.833 25.849 1.00 0.00 WATA H ATOM 6538 OH2 TIP3A 913 -37.538 23.292 30.931 1.00 0.00 WATA O ATOM 6539 H1 TIP3A 913 -38.402 22.792 30.992 1.00 0.00 WATA H ATOM 6540 H2 TIP3A 913 -37.715 24.273 30.999 1.00 0.00 WATA H ATOM 6541 OH2 TIP3A 914 42.144 42.322 -11.226 1.00 0.00 WATA O ATOM 6542 H1 TIP3A 914 43.000 42.773 -10.971 1.00 0.00 WATA H ATOM 6543 H2 TIP3A 914 41.427 43.009 -11.340 1.00 0.00 WATA H ATOM 6544 OH2 TIP3A 915 -23.465 -35.815 -53.345 1.00 0.00 WATA O ATOM 6545 H1 TIP3A 915 -23.380 -36.812 -53.328 1.00 0.00 WATA H ATOM 6546 H2 TIP3A 915 -24.400 -35.556 -53.109 1.00 0.00 WATA H ATOM 6547 OH2 TIP3A 916 -34.123 51.625 -29.631 1.00 0.00 WATA O ATOM 6548 H1 TIP3A 916 -33.765 51.236 -30.480 1.00 0.00 WATA H ATOM 6549 H2 TIP3A 916 -33.364 51.853 -29.023 1.00 0.00 WATA H ATOM 6550 OH2 TIP3A 917 45.107 16.641 -26.685 1.00 0.00 WATA O ATOM 6551 H1 TIP3A 917 44.714 16.138 -25.915 1.00 0.00 WATA H ATOM 6552 H2 TIP3A 917 46.044 16.908 -26.465 1.00 0.00 WATA H ATOM 6553 OH2 TIP3A 918 -23.861 50.970 22.367 1.00 0.00 WATA O ATOM 6554 H1 TIP3A 918 -23.412 51.670 21.810 1.00 0.00 WATA H ATOM 6555 H2 TIP3A 918 -24.822 50.899 22.102 1.00 0.00 WATA H ATOM 6556 OH2 TIP3A 919 52.138 -8.209 -29.387 1.00 0.00 WATA O ATOM 6557 H1 TIP3A 919 51.962 -7.263 -29.115 1.00 0.00 WATA H ATOM 6558 H2 TIP3A 919 53.028 -8.498 -29.037 1.00 0.00 WATA H ATOM 6559 OH2 TIP3A 920 27.172 0.266 -51.261 1.00 0.00 WATA O ATOM 6560 H1 TIP3A 920 27.913 -0.210 -51.735 1.00 0.00 WATA H ATOM 6561 H2 TIP3A 920 26.295 -0.009 -51.654 1.00 0.00 WATA H ATOM 6562 OH2 TIP3A 921 39.759 -11.917 21.069 1.00 0.00 WATA O ATOM 6563 H1 TIP3A 921 39.844 -11.085 20.520 1.00 0.00 WATA H ATOM 6564 H2 TIP3A 921 38.793 -12.133 21.201 1.00 0.00 WATA H ATOM 6565 OH2 TIP3A 922 -27.481 18.588 21.698 1.00 0.00 WATA O ATOM 6566 H1 TIP3A 922 -26.849 18.026 21.165 1.00 0.00 WATA H ATOM 6567 H2 TIP3A 922 -28.294 18.053 21.926 1.00 0.00 WATA H ATOM 6568 OH2 TIP3A 923 -21.049 43.866 34.366 1.00 0.00 WATA O ATOM 6569 H1 TIP3A 923 -21.690 44.461 33.881 1.00 0.00 WATA H ATOM 6570 H2 TIP3A 923 -20.146 44.294 34.385 1.00 0.00 WATA H ATOM 6571 OH2 TIP3A 924 31.196 -52.106 -11.173 1.00 0.00 WATA O ATOM 6572 H1 TIP3A 924 31.906 -51.824 -11.819 1.00 0.00 WATA H ATOM 6573 H2 TIP3A 924 31.350 -51.658 -10.292 1.00 0.00 WATA H ATOM 6574 OH2 TIP3A 925 -7.645 -43.817 -25.523 1.00 0.00 WATA O ATOM 6575 H1 TIP3A 925 -7.828 -44.582 -26.140 1.00 0.00 WATA H ATOM 6576 H2 TIP3A 925 -6.883 -43.277 -25.878 1.00 0.00 WATA H ATOM 6577 OH2 TIP3A 926 33.049 -44.299 -23.167 1.00 0.00 WATA O ATOM 6578 H1 TIP3A 926 33.007 -44.157 -22.178 1.00 0.00 WATA H ATOM 6579 H2 TIP3A 926 33.240 -43.429 -23.621 1.00 0.00 WATA H ATOM 6580 OH2 TIP3A 927 35.560 34.387 -48.118 1.00 0.00 WATA O ATOM 6581 H1 TIP3A 927 35.333 34.595 -49.070 1.00 0.00 WATA H ATOM 6582 H2 TIP3A 927 35.292 35.154 -47.536 1.00 0.00 WATA H ATOM 6583 OH2 TIP3A 928 27.805 -9.374 31.058 1.00 0.00 WATA O ATOM 6584 H1 TIP3A 928 27.266 -9.438 30.218 1.00 0.00 WATA H ATOM 6585 H2 TIP3A 928 28.697 -8.972 30.853 1.00 0.00 WATA H ATOM 6586 OH2 TIP3A 929 -28.577 17.858 19.644 1.00 0.00 WATA O ATOM 6587 H1 TIP3A 929 -28.214 16.944 19.822 1.00 0.00 WATA H ATOM 6588 H2 TIP3A 929 -29.475 17.950 20.073 1.00 0.00 WATA H ATOM 6589 OH2 TIP3A 930 22.014 15.122 -40.007 1.00 0.00 WATA O ATOM 6590 H1 TIP3A 930 21.372 14.377 -39.822 1.00 0.00 WATA H ATOM 6591 H2 TIP3A 930 21.617 15.987 -39.702 1.00 0.00 WATA H ATOM 6592 OH2 TIP3A 931 -49.394 -33.345 -3.518 1.00 0.00 WATA O ATOM 6593 H1 TIP3A 931 -48.856 -33.761 -2.784 1.00 0.00 WATA H ATOM 6594 H2 TIP3A 931 -49.588 -34.030 -4.219 1.00 0.00 WATA H ATOM 6595 OH2 TIP3A 932 -11.922 -39.536 9.031 1.00 0.00 WATA O ATOM 6596 H1 TIP3A 932 -12.775 -39.017 9.085 1.00 0.00 WATA H ATOM 6597 H2 TIP3A 932 -11.589 -39.534 8.089 1.00 0.00 WATA H ATOM 6598 OH2 TIP3A 933 52.916 -29.173 0.405 1.00 0.00 WATA O ATOM 6599 H1 TIP3A 933 51.983 -29.370 0.103 1.00 0.00 WATA H ATOM 6600 H2 TIP3A 933 53.345 -28.534 -0.233 1.00 0.00 WATA H ATOM 6601 OH2 TIP3A 934 36.210 31.080 -50.366 1.00 0.00 WATA O ATOM 6602 H1 TIP3A 934 35.477 31.740 -50.201 1.00 0.00 WATA H ATOM 6603 H2 TIP3A 934 35.871 30.155 -50.200 1.00 0.00 WATA H ATOM 6604 OH2 TIP3A 935 6.274 14.995 34.163 1.00 0.00 WATA O ATOM 6605 H1 TIP3A 935 7.187 14.588 34.164 1.00 0.00 WATA H ATOM 6606 H2 TIP3A 935 6.353 15.992 34.164 1.00 0.00 WATA H ATOM 6607 OH2 TIP3A 936 -35.227 34.281 -41.459 1.00 0.00 WATA O ATOM 6608 H1 TIP3A 936 -34.683 34.892 -42.035 1.00 0.00 WATA H ATOM 6609 H2 TIP3A 936 -35.250 33.369 -41.867 1.00 0.00 WATA H ATOM 6610 OH2 TIP3A 937 37.080 22.187 -35.143 1.00 0.00 WATA O ATOM 6611 H1 TIP3A 937 37.856 21.690 -35.531 1.00 0.00 WATA H ATOM 6612 H2 TIP3A 937 36.495 21.552 -34.639 1.00 0.00 WATA H ATOM 6613 OH2 TIP3A 938 29.939 2.149 -37.054 1.00 0.00 WATA O ATOM 6614 H1 TIP3A 938 29.920 3.066 -36.656 1.00 0.00 WATA H ATOM 6615 H2 TIP3A 938 30.544 1.563 -36.516 1.00 0.00 WATA H ATOM 6616 OH2 TIP3A 939 -42.119 -37.220 -22.653 1.00 0.00 WATA O ATOM 6617 H1 TIP3A 939 -41.887 -36.255 -22.527 1.00 0.00 WATA H ATOM 6618 H2 TIP3A 939 -43.001 -37.294 -23.117 1.00 0.00 WATA H ATOM 6619 OH2 TIP3A 940 -3.871 18.465 -41.578 1.00 0.00 WATA O ATOM 6620 H1 TIP3A 940 -3.512 19.379 -41.770 1.00 0.00 WATA H ATOM 6621 H2 TIP3A 940 -4.556 18.521 -40.852 1.00 0.00 WATA H ATOM 6622 OH2 TIP3A 941 31.710 19.127 -9.976 1.00 0.00 WATA O ATOM 6623 H1 TIP3A 941 32.520 19.685 -9.794 1.00 0.00 WATA H ATOM 6624 H2 TIP3A 941 30.887 19.678 -9.837 1.00 0.00 WATA H ATOM 6625 OH2 TIP3A 942 -31.602 -25.056 43.976 1.00 0.00 WATA O ATOM 6626 H1 TIP3A 942 -32.094 -24.417 44.567 1.00 0.00 WATA H ATOM 6627 H2 TIP3A 942 -31.411 -25.898 44.480 1.00 0.00 WATA H ATOM 6628 OH2 TIP3A 943 29.364 -30.181 -38.552 1.00 0.00 WATA O ATOM 6629 H1 TIP3A 943 28.657 -29.478 -38.638 1.00 0.00 WATA H ATOM 6630 H2 TIP3A 943 28.943 -31.086 -38.604 1.00 0.00 WATA H ATOM 6631 OH2 TIP3A 944 -22.576 20.081 -22.919 1.00 0.00 WATA O ATOM 6632 H1 TIP3A 944 -22.041 19.244 -22.799 1.00 0.00 WATA H ATOM 6633 H2 TIP3A 944 -22.915 20.390 -22.031 1.00 0.00 WATA H ATOM 6634 OH2 TIP3A 945 -43.220 16.457 -0.769 1.00 0.00 WATA O ATOM 6635 H1 TIP3A 945 -43.703 16.524 0.104 1.00 0.00 WATA H ATOM 6636 H2 TIP3A 945 -43.826 16.745 -1.510 1.00 0.00 WATA H ATOM 6637 OH2 TIP3A 946 34.454 7.209 -35.487 1.00 0.00 WATA O ATOM 6638 H1 TIP3A 946 33.471 7.366 -35.393 1.00 0.00 WATA H ATOM 6639 H2 TIP3A 946 34.615 6.264 -35.770 1.00 0.00 WATA H ATOM 6640 OH2 TIP3A 947 38.025 -30.888 -47.255 1.00 0.00 WATA O ATOM 6641 H1 TIP3A 947 38.476 -30.050 -47.564 1.00 0.00 WATA H ATOM 6642 H2 TIP3A 947 37.034 -30.777 -47.321 1.00 0.00 WATA H ATOM 6643 OH2 TIP3A 948 45.230 4.265 35.550 1.00 0.00 WATA O ATOM 6644 H1 TIP3A 948 45.887 4.995 35.358 1.00 0.00 WATA H ATOM 6645 H2 TIP3A 948 45.655 3.580 36.139 1.00 0.00 WATA H ATOM 6646 OH2 TIP3A 949 24.106 -46.993 13.736 1.00 0.00 WATA O ATOM 6647 H1 TIP3A 949 23.471 -46.243 13.546 1.00 0.00 WATA H ATOM 6648 H2 TIP3A 949 23.636 -47.704 14.258 1.00 0.00 WATA H ATOM 6649 OH2 TIP3A 950 -29.571 17.055 -25.781 1.00 0.00 WATA O ATOM 6650 H1 TIP3A 950 -29.203 16.300 -25.238 1.00 0.00 WATA H ATOM 6651 H2 TIP3A 950 -29.972 17.739 -25.172 1.00 0.00 WATA H ATOM 6652 OH2 TIP3A 951 -7.438 36.093 -26.354 1.00 0.00 WATA O ATOM 6653 H1 TIP3A 951 -7.444 37.027 -26.712 1.00 0.00 WATA H ATOM 6654 H2 TIP3A 951 -6.502 35.830 -26.124 1.00 0.00 WATA H ATOM 6655 OH2 TIP3A 952 -25.748 51.601 24.839 1.00 0.00 WATA O ATOM 6656 H1 TIP3A 952 -26.732 51.732 24.957 1.00 0.00 WATA H ATOM 6657 H2 TIP3A 952 -25.575 50.688 24.471 1.00 0.00 WATA H ATOM 6658 OH2 TIP3A 953 25.344 3.208 6.178 1.00 0.00 WATA O ATOM 6659 H1 TIP3A 953 26.194 2.710 6.350 1.00 0.00 WATA H ATOM 6660 H2 TIP3A 953 24.584 2.561 6.126 1.00 0.00 WATA H ATOM 6661 OH2 TIP3A 954 52.625 -2.285 -9.028 1.00 0.00 WATA O ATOM 6662 H1 TIP3A 954 53.345 -1.599 -8.926 1.00 0.00 WATA H ATOM 6663 H2 TIP3A 954 52.574 -2.841 -8.200 1.00 0.00 WATA H ATOM 6664 OH2 TIP3A 955 48.775 -1.576 -12.582 1.00 0.00 WATA O ATOM 6665 H1 TIP3A 955 48.925 -2.308 -11.917 1.00 0.00 WATA H ATOM 6666 H2 TIP3A 955 48.478 -1.971 -13.451 1.00 0.00 WATA H ATOM 6667 OH2 TIP3A 956 -39.644 45.127 -12.373 1.00 0.00 WATA O ATOM 6668 H1 TIP3A 956 -39.518 45.181 -13.364 1.00 0.00 WATA H ATOM 6669 H2 TIP3A 956 -40.549 44.753 -12.172 1.00 0.00 WATA H ATOM 6670 OH2 TIP3A 957 36.282 -36.569 -43.519 1.00 0.00 WATA O ATOM 6671 H1 TIP3A 957 35.930 -35.635 -43.449 1.00 0.00 WATA H ATOM 6672 H2 TIP3A 957 36.148 -36.906 -44.450 1.00 0.00 WATA H ATOM 6673 OH2 TIP3A 958 -24.822 9.809 -9.143 1.00 0.00 WATA O ATOM 6674 H1 TIP3A 958 -23.846 9.595 -9.097 1.00 0.00 WATA H ATOM 6675 H2 TIP3A 958 -25.324 9.008 -9.466 1.00 0.00 WATA H ATOM 6676 OH2 TIP3A 959 -18.703 22.717 -16.132 1.00 0.00 WATA O ATOM 6677 H1 TIP3A 959 -17.726 22.873 -15.984 1.00 0.00 WATA H ATOM 6678 H2 TIP3A 959 -19.113 22.351 -15.298 1.00 0.00 WATA H ATOM 6679 OH2 TIP3A 960 -20.201 46.311 27.809 1.00 0.00 WATA O ATOM 6680 H1 TIP3A 960 -20.697 45.636 27.262 1.00 0.00 WATA H ATOM 6681 H2 TIP3A 960 -19.280 45.974 28.000 1.00 0.00 WATA H ATOM 6682 OH2 TIP3A 961 -17.380 -37.349 -26.106 1.00 0.00 WATA O ATOM 6683 H1 TIP3A 961 -17.665 -36.428 -26.372 1.00 0.00 WATA H ATOM 6684 H2 TIP3A 961 -17.902 -38.024 -26.628 1.00 0.00 WATA H ATOM 6685 OH2 TIP3A 962 -46.032 -14.408 -31.257 1.00 0.00 WATA O ATOM 6686 H1 TIP3A 962 -45.092 -14.674 -31.040 1.00 0.00 WATA H ATOM 6687 H2 TIP3A 962 -46.062 -13.431 -31.465 1.00 0.00 WATA H ATOM 6688 OH2 TIP3A 963 -2.959 -47.729 -3.151 1.00 0.00 WATA O ATOM 6689 H1 TIP3A 963 -2.858 -48.724 -3.154 1.00 0.00 WATA H ATOM 6690 H2 TIP3A 963 -2.055 -47.302 -3.139 1.00 0.00 WATA H ATOM 6691 OH2 TIP3A 964 45.903 1.419 -40.790 1.00 0.00 WATA O ATOM 6692 H1 TIP3A 964 46.217 0.488 -40.977 1.00 0.00 WATA H ATOM 6693 H2 TIP3A 964 44.984 1.388 -40.397 1.00 0.00 WATA H ATOM 6694 OH2 TIP3A 965 -23.302 21.837 -27.642 1.00 0.00 WATA O ATOM 6695 H1 TIP3A 965 -23.115 22.607 -27.032 1.00 0.00 WATA H ATOM 6696 H2 TIP3A 965 -23.038 22.078 -28.575 1.00 0.00 WATA H ATOM 6697 OH2 TIP3A 966 -5.466 39.019 0.261 1.00 0.00 WATA O ATOM 6698 H1 TIP3A 966 -4.990 39.792 0.681 1.00 0.00 WATA H ATOM 6699 H2 TIP3A 966 -5.017 38.166 0.526 1.00 0.00 WATA H ATOM 6700 OH2 TIP3A 967 -20.641 -50.859 -41.357 1.00 0.00 WATA O ATOM 6701 H1 TIP3A 967 -20.100 -50.237 -41.923 1.00 0.00 WATA H ATOM 6702 H2 TIP3A 967 -20.853 -51.686 -41.877 1.00 0.00 WATA H ATOM 6703 OH2 TIP3A 968 -13.629 -29.904 29.169 1.00 0.00 WATA O ATOM 6704 H1 TIP3A 968 -12.946 -30.105 28.466 1.00 0.00 WATA H ATOM 6705 H2 TIP3A 968 -14.544 -29.969 28.773 1.00 0.00 WATA H ATOM 6706 OH2 TIP3A 969 47.853 4.313 -19.532 1.00 0.00 WATA O ATOM 6707 H1 TIP3A 969 48.194 5.253 -19.510 1.00 0.00 WATA H ATOM 6708 H2 TIP3A 969 46.867 4.312 -19.370 1.00 0.00 WATA H ATOM 6709 OH2 TIP3A 970 35.478 0.351 14.186 1.00 0.00 WATA O ATOM 6710 H1 TIP3A 970 35.013 -0.533 14.138 1.00 0.00 WATA H ATOM 6711 H2 TIP3A 970 35.794 0.612 13.275 1.00 0.00 WATA H ATOM 6712 OH2 TIP3A 971 31.564 -22.299 28.284 1.00 0.00 WATA O ATOM 6713 H1 TIP3A 971 31.370 -21.854 27.410 1.00 0.00 WATA H ATOM 6714 H2 TIP3A 971 30.862 -22.985 28.473 1.00 0.00 WATA H ATOM 6715 OH2 TIP3A 972 40.796 17.040 31.936 1.00 0.00 WATA O ATOM 6716 H1 TIP3A 972 41.590 16.432 31.985 1.00 0.00 WATA H ATOM 6717 H2 TIP3A 972 40.447 17.058 31.000 1.00 0.00 WATA H ATOM 6718 OH2 TIP3A 973 39.205 -16.640 -24.523 1.00 0.00 WATA O ATOM 6719 H1 TIP3A 973 38.462 -17.284 -24.344 1.00 0.00 WATA H ATOM 6720 H2 TIP3A 973 40.068 -17.027 -24.201 1.00 0.00 WATA H ATOM 6721 OH2 TIP3A 974 37.572 43.822 21.576 1.00 0.00 WATA O ATOM 6722 H1 TIP3A 974 37.977 44.734 21.642 1.00 0.00 WATA H ATOM 6723 H2 TIP3A 974 38.297 43.142 21.467 1.00 0.00 WATA H ATOM 6724 OH2 TIP3A 975 15.051 20.349 4.761 1.00 0.00 WATA O ATOM 6725 H1 TIP3A 975 15.178 21.156 5.338 1.00 0.00 WATA H ATOM 6726 H2 TIP3A 975 15.542 19.574 5.159 1.00 0.00 WATA H ATOM 6727 OH2 TIP3A 976 -45.613 12.065 -34.594 1.00 0.00 WATA O ATOM 6728 H1 TIP3A 976 -44.848 12.344 -35.175 1.00 0.00 WATA H ATOM 6729 H2 TIP3A 976 -46.339 12.749 -34.648 1.00 0.00 WATA H ATOM 6730 OH2 TIP3A 977 32.697 11.708 44.426 1.00 0.00 WATA O ATOM 6731 H1 TIP3A 977 32.424 10.826 44.813 1.00 0.00 WATA H ATOM 6732 H2 TIP3A 977 31.881 12.247 44.218 1.00 0.00 WATA H ATOM 6733 OH2 TIP3A 978 15.815 31.947 -29.499 1.00 0.00 WATA O ATOM 6734 H1 TIP3A 978 16.776 32.033 -29.760 1.00 0.00 WATA H ATOM 6735 H2 TIP3A 978 15.251 32.500 -30.112 1.00 0.00 WATA H ATOM 6736 OH2 TIP3A 979 -35.779 5.326 -40.976 1.00 0.00 WATA O ATOM 6737 H1 TIP3A 979 -35.659 5.784 -40.095 1.00 0.00 WATA H ATOM 6738 H2 TIP3A 979 -34.901 4.959 -41.283 1.00 0.00 WATA H ATOM 6739 OH2 TIP3A 980 -27.214 -31.145 -15.532 1.00 0.00 WATA O ATOM 6740 H1 TIP3A 980 -26.894 -31.982 -15.976 1.00 0.00 WATA H ATOM 6741 H2 TIP3A 980 -28.206 -31.072 -15.633 1.00 0.00 WATA H ATOM 6742 OH2 TIP3A 981 -43.519 -21.454 -35.115 1.00 0.00 WATA O ATOM 6743 H1 TIP3A 981 -42.971 -21.583 -34.288 1.00 0.00 WATA H ATOM 6744 H2 TIP3A 981 -42.917 -21.252 -35.886 1.00 0.00 WATA H ATOM 6745 OH2 TIP3A 982 -50.419 -37.494 5.503 1.00 0.00 WATA O ATOM 6746 H1 TIP3A 982 -49.545 -37.575 5.022 1.00 0.00 WATA H ATOM 6747 H2 TIP3A 982 -50.427 -36.652 6.040 1.00 0.00 WATA H ATOM 6748 OH2 TIP3A 983 -13.395 -37.359 41.493 1.00 0.00 WATA O ATOM 6749 H1 TIP3A 983 -12.682 -37.252 42.186 1.00 0.00 WATA H ATOM 6750 H2 TIP3A 983 -14.068 -36.626 41.589 1.00 0.00 WATA H ATOM 6751 OH2 TIP3A 984 9.988 43.529 5.503 1.00 0.00 WATA O ATOM 6752 H1 TIP3A 984 9.573 42.631 5.354 1.00 0.00 WATA H ATOM 6753 H2 TIP3A 984 10.833 43.423 6.027 1.00 0.00 WATA H ATOM 6754 OH2 TIP3A 985 30.829 47.107 11.184 1.00 0.00 WATA O ATOM 6755 H1 TIP3A 985 31.287 46.218 11.144 1.00 0.00 WATA H ATOM 6756 H2 TIP3A 985 31.513 47.835 11.189 1.00 0.00 WATA H ATOM 6757 OH2 TIP3A 986 -43.280 49.232 8.562 1.00 0.00 WATA O ATOM 6758 H1 TIP3A 986 -43.254 49.800 7.739 1.00 0.00 WATA H ATOM 6759 H2 TIP3A 986 -42.347 49.026 8.855 1.00 0.00 WATA H ATOM 6760 OH2 TIP3A 987 -23.179 -44.391 -52.585 1.00 0.00 WATA O ATOM 6761 H1 TIP3A 987 -24.116 -44.114 -52.799 1.00 0.00 WATA H ATOM 6762 H2 TIP3A 987 -22.949 -44.102 -51.656 1.00 0.00 WATA H ATOM 6763 OH2 TIP3A 988 14.830 50.288 49.818 1.00 0.00 WATA O ATOM 6764 H1 TIP3A 988 14.266 49.568 49.413 1.00 0.00 WATA H ATOM 6765 H2 TIP3A 988 15.791 50.122 49.599 1.00 0.00 WATA H ATOM 6766 OH2 TIP3A 989 38.083 -3.392 11.787 1.00 0.00 WATA O ATOM 6767 H1 TIP3A 989 37.442 -4.077 12.134 1.00 0.00 WATA H ATOM 6768 H2 TIP3A 989 38.395 -2.815 12.542 1.00 0.00 WATA H ATOM 6769 OH2 TIP3A 990 -11.032 49.898 25.301 1.00 0.00 WATA O ATOM 6770 H1 TIP3A 990 -10.318 50.560 25.075 1.00 0.00 WATA H ATOM 6771 H2 TIP3A 990 -11.929 50.296 25.109 1.00 0.00 WATA H ATOM 6772 OH2 TIP3A 991 -26.929 41.312 -32.024 1.00 0.00 WATA O ATOM 6773 H1 TIP3A 991 -26.060 41.809 -32.017 1.00 0.00 WATA H ATOM 6774 H2 TIP3A 991 -26.760 40.344 -31.844 1.00 0.00 WATA H ATOM 6775 OH2 TIP3A 992 -23.973 -6.665 -44.267 1.00 0.00 WATA O ATOM 6776 H1 TIP3A 992 -22.988 -6.816 -44.357 1.00 0.00 WATA H ATOM 6777 H2 TIP3A 992 -24.466 -7.373 -44.771 1.00 0.00 WATA H ATOM 6778 OH2 TIP3A 993 -18.125 19.937 28.232 1.00 0.00 WATA O ATOM 6779 H1 TIP3A 993 -18.315 19.738 27.270 1.00 0.00 WATA H ATOM 6780 H2 TIP3A 993 -18.907 20.412 28.635 1.00 0.00 WATA H ATOM 6781 OH2 TIP3A 994 16.810 15.211 38.013 1.00 0.00 WATA O ATOM 6782 H1 TIP3A 994 16.279 16.054 37.923 1.00 0.00 WATA H ATOM 6783 H2 TIP3A 994 17.692 15.416 38.437 1.00 0.00 WATA H ATOM 6784 OH2 TIP3A 995 -37.614 -21.352 -47.041 1.00 0.00 WATA O ATOM 6785 H1 TIP3A 995 -37.267 -22.233 -46.721 1.00 0.00 WATA H ATOM 6786 H2 TIP3A 995 -36.846 -20.748 -47.254 1.00 0.00 WATA H ATOM 6787 OH2 TIP3A 996 9.375 -23.974 27.493 1.00 0.00 WATA O ATOM 6788 H1 TIP3A 996 9.512 -24.965 27.498 1.00 0.00 WATA H ATOM 6789 H2 TIP3A 996 8.397 -23.773 27.461 1.00 0.00 WATA H ATOM 6790 OH2 TIP3A 997 18.805 -33.098 -3.150 1.00 0.00 WATA O ATOM 6791 H1 TIP3A 997 18.378 -32.194 -3.121 1.00 0.00 WATA H ATOM 6792 H2 TIP3A 997 19.781 -33.000 -3.340 1.00 0.00 WATA H ATOM 6793 OH2 TIP3A 998 -17.333 21.335 16.230 1.00 0.00 WATA O ATOM 6794 H1 TIP3A 998 -17.951 22.119 16.178 1.00 0.00 WATA H ATOM 6795 H2 TIP3A 998 -16.389 21.658 16.290 1.00 0.00 WATA H ATOM 6796 OH2 TIP3A 999 14.962 34.821 29.628 1.00 0.00 WATA O ATOM 6797 H1 TIP3A 999 15.379 35.354 28.892 1.00 0.00 WATA H ATOM 6798 H2 TIP3A 999 14.233 35.354 30.055 1.00 0.00 WATA H ATOM 6799 OH2 TIP3A1000 -44.647 41.002 38.571 1.00 0.00 WATA O ATOM 6800 H1 TIP3A1000 -45.424 41.631 38.550 1.00 0.00 WATA H ATOM 6801 H2 TIP3A1000 -44.981 40.060 38.595 1.00 0.00 WATA H ATOM 6802 OH2 TIP3A1001 -37.686 -23.294 50.718 1.00 0.00 WATA O ATOM 6803 H1 TIP3A1001 -37.217 -22.427 50.880 1.00 0.00 WATA H ATOM 6804 H2 TIP3A1001 -38.613 -23.116 50.390 1.00 0.00 WATA H ATOM 6805 OH2 TIP3A1002 -42.623 -18.331 39.117 1.00 0.00 WATA O ATOM 6806 H1 TIP3A1002 -42.037 -17.849 38.464 1.00 0.00 WATA H ATOM 6807 H2 TIP3A1002 -42.155 -19.151 39.444 1.00 0.00 WATA H ATOM 6808 OH2 TIP3A1003 -7.816 -17.012 37.264 1.00 0.00 WATA O ATOM 6809 H1 TIP3A1003 -8.743 -17.185 36.931 1.00 0.00 WATA H ATOM 6810 H2 TIP3A1003 -7.845 -16.327 37.991 1.00 0.00 WATA H ATOM 6811 OH2 TIP3A1004 -10.692 -17.119 35.860 1.00 0.00 WATA O ATOM 6812 H1 TIP3A1004 -11.466 -16.488 35.796 1.00 0.00 WATA H ATOM 6813 H2 TIP3A1004 -11.026 -18.035 36.080 1.00 0.00 WATA H ATOM 6814 OH2 TIP3A1005 -32.122 17.554 -8.215 1.00 0.00 WATA O ATOM 6815 H1 TIP3A1005 -31.630 18.421 -8.303 1.00 0.00 WATA H ATOM 6816 H2 TIP3A1005 -32.113 17.075 -9.092 1.00 0.00 WATA H ATOM 6817 OH2 TIP3A1006 -39.670 20.864 39.409 1.00 0.00 WATA O ATOM 6818 H1 TIP3A1006 -40.467 21.466 39.448 1.00 0.00 WATA H ATOM 6819 H2 TIP3A1006 -39.917 20.012 38.949 1.00 0.00 WATA H ATOM 6820 OH2 TIP3A1007 -10.940 39.273 9.868 1.00 0.00 WATA O ATOM 6821 H1 TIP3A1007 -11.174 39.632 10.772 1.00 0.00 WATA H ATOM 6822 H2 TIP3A1007 -9.951 39.151 9.803 1.00 0.00 WATA H ATOM 6823 OH2 TIP3A1008 -12.534 1.567 45.004 1.00 0.00 WATA O ATOM 6824 H1 TIP3A1008 -12.910 0.658 44.824 1.00 0.00 WATA H ATOM 6825 H2 TIP3A1008 -11.817 1.770 44.338 1.00 0.00 WATA H ATOM 6826 OH2 TIP3A1009 31.516 -0.865 24.328 1.00 0.00 WATA O ATOM 6827 H1 TIP3A1009 31.575 0.055 23.941 1.00 0.00 WATA H ATOM 6828 H2 TIP3A1009 30.667 -1.299 24.030 1.00 0.00 WATA H ATOM 6829 OH2 TIP3A1010 -29.373 -35.182 -45.284 1.00 0.00 WATA O ATOM 6830 H1 TIP3A1010 -28.816 -34.464 -45.703 1.00 0.00 WATA H ATOM 6831 H2 TIP3A1010 -30.114 -34.766 -44.758 1.00 0.00 WATA H ATOM 6832 OH2 TIP3A1011 42.287 6.754 -49.907 1.00 0.00 WATA O ATOM 6833 H1 TIP3A1011 42.003 6.586 -48.963 1.00 0.00 WATA H ATOM 6834 H2 TIP3A1011 43.028 7.425 -49.918 1.00 0.00 WATA H ATOM 6835 OH2 TIP3A1012 -15.870 -14.761 43.920 1.00 0.00 WATA O ATOM 6836 H1 TIP3A1012 -15.081 -15.271 43.577 1.00 0.00 WATA H ATOM 6837 H2 TIP3A1012 -15.610 -13.808 44.073 1.00 0.00 WATA H ATOM 6838 OH2 TIP3A1013 9.006 -32.206 -1.932 1.00 0.00 WATA O ATOM 6839 H1 TIP3A1013 8.890 -31.215 -1.995 1.00 0.00 WATA H ATOM 6840 H2 TIP3A1013 9.980 -32.428 -1.907 1.00 0.00 WATA H ATOM 6841 OH2 TIP3A1014 18.186 28.019 -11.226 1.00 0.00 WATA O ATOM 6842 H1 TIP3A1014 18.430 28.960 -11.461 1.00 0.00 WATA H ATOM 6843 H2 TIP3A1014 19.012 27.457 -11.198 1.00 0.00 WATA H ATOM 6844 OH2 TIP3A1015 42.534 4.588 -52.726 1.00 0.00 WATA O ATOM 6845 H1 TIP3A1015 43.298 5.123 -53.087 1.00 0.00 WATA H ATOM 6846 H2 TIP3A1015 41.868 5.200 -52.302 1.00 0.00 WATA H ATOM 6847 OH2 TIP3A1016 12.128 6.409 -21.440 1.00 0.00 WATA O ATOM 6848 H1 TIP3A1016 12.520 6.649 -20.552 1.00 0.00 WATA H ATOM 6849 H2 TIP3A1016 11.149 6.613 -21.439 1.00 0.00 WATA H ATOM 6850 OH2 TIP3A1017 -0.415 -23.200 9.663 1.00 0.00 WATA O ATOM 6851 H1 TIP3A1017 -1.357 -23.252 9.996 1.00 0.00 WATA H ATOM 6852 H2 TIP3A1017 -0.366 -23.582 8.740 1.00 0.00 WATA H ATOM 6853 OH2 TIP3A1018 11.140 -1.146 -29.087 1.00 0.00 WATA O ATOM 6854 H1 TIP3A1018 11.594 -0.469 -28.508 1.00 0.00 WATA H ATOM 6855 H2 TIP3A1018 10.539 -0.680 -29.736 1.00 0.00 WATA H ATOM 6856 OH2 TIP3A1019 -14.099 27.674 47.092 1.00 0.00 WATA O ATOM 6857 H1 TIP3A1019 -14.214 28.658 47.227 1.00 0.00 WATA H ATOM 6858 H2 TIP3A1019 -13.126 27.450 47.084 1.00 0.00 WATA H ATOM 6859 OH2 TIP3A1020 5.493 5.257 -40.488 1.00 0.00 WATA O ATOM 6860 H1 TIP3A1020 6.357 5.757 -40.547 1.00 0.00 WATA H ATOM 6861 H2 TIP3A1020 4.915 5.670 -39.786 1.00 0.00 WATA H ATOM 6862 OH2 TIP3A1021 -37.536 -51.054 -4.674 1.00 0.00 WATA O ATOM 6863 H1 TIP3A1021 -37.011 -50.228 -4.882 1.00 0.00 WATA H ATOM 6864 H2 TIP3A1021 -38.162 -51.250 -5.427 1.00 0.00 WATA H ATOM 6865 OH2 TIP3A1022 -23.000 -18.577 24.138 1.00 0.00 WATA O ATOM 6866 H1 TIP3A1022 -22.307 -17.887 24.350 1.00 0.00 WATA H ATOM 6867 H2 TIP3A1022 -22.759 -19.042 23.287 1.00 0.00 WATA H ATOM 6868 OH2 TIP3A1023 -32.520 -38.491 -38.096 1.00 0.00 WATA O ATOM 6869 H1 TIP3A1023 -33.117 -37.713 -37.902 1.00 0.00 WATA H ATOM 6870 H2 TIP3A1023 -31.663 -38.388 -37.590 1.00 0.00 WATA H ATOM 6871 OH2 TIP3A1024 16.560 -12.412 28.715 1.00 0.00 WATA O ATOM 6872 H1 TIP3A1024 15.575 -12.587 28.725 1.00 0.00 WATA H ATOM 6873 H2 TIP3A1024 17.053 -13.281 28.681 1.00 0.00 WATA H ATOM 6874 OH2 TIP3A1025 4.509 38.410 38.425 1.00 0.00 WATA O ATOM 6875 H1 TIP3A1025 5.036 38.838 37.690 1.00 0.00 WATA H ATOM 6876 H2 TIP3A1025 3.558 38.714 38.374 1.00 0.00 WATA H ATOM 6877 OH2 TIP3A1026 -47.097 -52.501 -1.084 1.00 0.00 WATA O ATOM 6878 H1 TIP3A1026 -47.361 -51.557 -0.884 1.00 0.00 WATA H ATOM 6879 H2 TIP3A1026 -47.726 -52.888 -1.757 1.00 0.00 WATA H ATOM 6880 OH2 TIP3A1027 -46.167 3.369 0.738 1.00 0.00 WATA O ATOM 6881 H1 TIP3A1027 -46.876 2.727 0.445 1.00 0.00 WATA H ATOM 6882 H2 TIP3A1027 -46.583 4.255 0.940 1.00 0.00 WATA H ATOM 6883 OH2 TIP3A1028 -38.969 30.162 -19.583 1.00 0.00 WATA O ATOM 6884 H1 TIP3A1028 -39.933 30.422 -19.636 1.00 0.00 WATA H ATOM 6885 H2 TIP3A1028 -38.418 30.967 -19.365 1.00 0.00 WATA H ATOM 6886 OH2 TIP3A1029 -23.968 1.867 -21.525 1.00 0.00 WATA O ATOM 6887 H1 TIP3A1029 -24.623 1.282 -21.047 1.00 0.00 WATA H ATOM 6888 H2 TIP3A1029 -24.325 2.800 -21.571 1.00 0.00 WATA H ATOM 6889 OH2 TIP3A1030 -33.793 -36.393 8.864 1.00 0.00 WATA O ATOM 6890 H1 TIP3A1030 -34.628 -35.843 8.821 1.00 0.00 WATA H ATOM 6891 H2 TIP3A1030 -33.043 -35.834 9.216 1.00 0.00 WATA H ATOM 6892 OH2 TIP3A1031 32.264 10.696 -12.515 1.00 0.00 WATA O ATOM 6893 H1 TIP3A1031 32.272 11.648 -12.819 1.00 0.00 WATA H ATOM 6894 H2 TIP3A1031 33.157 10.282 -12.689 1.00 0.00 WATA H ATOM 6895 OH2 TIP3A1032 -40.338 50.748 -44.957 1.00 0.00 WATA O ATOM 6896 H1 TIP3A1032 -39.773 51.063 -45.720 1.00 0.00 WATA H ATOM 6897 H2 TIP3A1032 -41.048 50.134 -45.300 1.00 0.00 WATA H ATOM 6898 OH2 TIP3A1033 -42.962 -49.609 10.884 1.00 0.00 WATA O ATOM 6899 H1 TIP3A1033 -42.795 -48.677 11.207 1.00 0.00 WATA H ATOM 6900 H2 TIP3A1033 -42.135 -50.157 11.004 1.00 0.00 WATA H ATOM 6901 OH2 TIP3A1034 39.098 44.248 33.358 1.00 0.00 WATA O ATOM 6902 H1 TIP3A1034 38.141 44.046 33.151 1.00 0.00 WATA H ATOM 6903 H2 TIP3A1034 39.458 44.889 32.681 1.00 0.00 WATA H ATOM 6904 OH2 TIP3A1035 25.956 -51.354 13.505 1.00 0.00 WATA O ATOM 6905 H1 TIP3A1035 25.105 -50.857 13.678 1.00 0.00 WATA H ATOM 6906 H2 TIP3A1035 25.874 -51.868 12.652 1.00 0.00 WATA H ATOM 6907 OH2 TIP3A1036 44.294 22.650 -47.823 1.00 0.00 WATA O ATOM 6908 H1 TIP3A1036 43.537 22.781 -48.463 1.00 0.00 WATA H ATOM 6909 H2 TIP3A1036 44.179 23.262 -47.041 1.00 0.00 WATA H ATOM 6910 OH2 TIP3A1037 23.560 -2.198 48.302 1.00 0.00 WATA O ATOM 6911 H1 TIP3A1037 24.351 -2.806 48.369 1.00 0.00 WATA H ATOM 6912 H2 TIP3A1037 23.871 -1.249 48.257 1.00 0.00 WATA H ATOM 6913 OH2 TIP3A1038 -47.203 -14.356 16.324 1.00 0.00 WATA O ATOM 6914 H1 TIP3A1038 -47.658 -13.484 16.506 1.00 0.00 WATA H ATOM 6915 H2 TIP3A1038 -46.228 -14.198 16.169 1.00 0.00 WATA H ATOM 6916 OH2 TIP3A1039 -7.502 52.448 -27.855 1.00 0.00 WATA O ATOM 6917 H1 TIP3A1039 -7.878 52.744 -28.733 1.00 0.00 WATA H ATOM 6918 H2 TIP3A1039 -6.579 52.816 -27.746 1.00 0.00 WATA H ATOM 6919 OH2 TIP3A1040 24.348 -17.059 -15.305 1.00 0.00 WATA O ATOM 6920 H1 TIP3A1040 24.015 -16.387 -15.966 1.00 0.00 WATA H ATOM 6921 H2 TIP3A1040 25.227 -16.757 -14.937 1.00 0.00 WATA H ATOM 6922 OH2 TIP3A1041 -50.836 -18.052 -51.618 1.00 0.00 WATA O ATOM 6923 H1 TIP3A1041 -51.485 -18.103 -52.378 1.00 0.00 WATA H ATOM 6924 H2 TIP3A1041 -51.295 -17.684 -50.811 1.00 0.00 WATA H ATOM 6925 OH2 TIP3A1042 4.649 8.794 -33.176 1.00 0.00 WATA O ATOM 6926 H1 TIP3A1042 4.778 8.029 -33.807 1.00 0.00 WATA H ATOM 6927 H2 TIP3A1042 3.702 8.806 -32.856 1.00 0.00 WATA H ATOM 6928 OH2 TIP3A1043 -5.680 6.149 52.572 1.00 0.00 WATA O ATOM 6929 H1 TIP3A1043 -5.454 7.116 52.456 1.00 0.00 WATA H ATOM 6930 H2 TIP3A1043 -5.073 5.744 53.255 1.00 0.00 WATA H ATOM 6931 OH2 TIP3A1044 13.878 -16.992 -40.509 1.00 0.00 WATA O ATOM 6932 H1 TIP3A1044 13.124 -16.689 -39.927 1.00 0.00 WATA H ATOM 6933 H2 TIP3A1044 14.170 -16.239 -41.097 1.00 0.00 WATA H ATOM 6934 OH2 TIP3A1045 -33.978 -47.652 -6.877 1.00 0.00 WATA O ATOM 6935 H1 TIP3A1045 -34.434 -48.542 -6.888 1.00 0.00 WATA H ATOM 6936 H2 TIP3A1045 -33.979 -47.288 -5.947 1.00 0.00 WATA H ATOM 6937 OH2 TIP3A1046 -35.582 38.487 -44.020 1.00 0.00 WATA O ATOM 6938 H1 TIP3A1046 -35.467 39.466 -43.854 1.00 0.00 WATA H ATOM 6939 H2 TIP3A1046 -36.497 38.315 -44.381 1.00 0.00 WATA H ATOM 6940 OH2 TIP3A1047 5.210 -37.844 -48.544 1.00 0.00 WATA O ATOM 6941 H1 TIP3A1047 4.545 -37.891 -49.289 1.00 0.00 WATA H ATOM 6942 H2 TIP3A1047 5.328 -36.893 -48.260 1.00 0.00 WATA H ATOM 6943 OH2 TIP3A1048 33.894 -35.306 -42.555 1.00 0.00 WATA O ATOM 6944 H1 TIP3A1048 34.082 -34.537 -41.944 1.00 0.00 WATA H ATOM 6945 H2 TIP3A1048 32.949 -35.606 -42.434 1.00 0.00 WATA H ATOM 6946 OH2 TIP3A1049 43.410 3.869 -44.931 1.00 0.00 WATA O ATOM 6947 H1 TIP3A1049 43.084 2.980 -44.609 1.00 0.00 WATA H ATOM 6948 H2 TIP3A1049 43.013 4.066 -45.827 1.00 0.00 WATA H ATOM 6949 OH2 TIP3A1050 -16.887 8.758 27.720 1.00 0.00 WATA O ATOM 6950 H1 TIP3A1050 -16.062 8.302 27.386 1.00 0.00 WATA H ATOM 6951 H2 TIP3A1050 -17.554 8.072 28.010 1.00 0.00 WATA H ATOM 6952 OH2 TIP3A1051 -51.346 21.814 -8.576 1.00 0.00 WATA O ATOM 6953 H1 TIP3A1051 -50.392 21.546 -8.441 1.00 0.00 WATA H ATOM 6954 H2 TIP3A1051 -51.390 22.782 -8.821 1.00 0.00 WATA H ATOM 6955 OH2 TIP3A1052 35.626 26.271 50.563 1.00 0.00 WATA O ATOM 6956 H1 TIP3A1052 34.947 25.801 51.128 1.00 0.00 WATA H ATOM 6957 H2 TIP3A1052 35.718 25.796 49.688 1.00 0.00 WATA H ATOM 6958 OH2 TIP3A1053 21.809 -27.849 13.115 1.00 0.00 WATA O ATOM 6959 H1 TIP3A1053 21.404 -28.255 12.295 1.00 0.00 WATA H ATOM 6960 H2 TIP3A1053 22.672 -28.308 13.323 1.00 0.00 WATA H ATOM 6961 OH2 TIP3A1054 34.077 23.752 48.306 1.00 0.00 WATA O ATOM 6962 H1 TIP3A1054 34.513 22.853 48.343 1.00 0.00 WATA H ATOM 6963 H2 TIP3A1054 33.084 23.641 48.302 1.00 0.00 WATA H ATOM 6964 OH2 TIP3A1055 -1.484 20.548 45.338 1.00 0.00 WATA O ATOM 6965 H1 TIP3A1055 -1.182 20.083 46.171 1.00 0.00 WATA H ATOM 6966 H2 TIP3A1055 -1.959 19.897 44.746 1.00 0.00 WATA H ATOM 6967 OH2 TIP3A1056 8.250 -3.641 41.021 1.00 0.00 WATA O ATOM 6968 H1 TIP3A1056 9.210 -3.891 41.153 1.00 0.00 WATA H ATOM 6969 H2 TIP3A1056 7.830 -4.265 40.364 1.00 0.00 WATA H ATOM 6970 OH2 TIP3A1057 21.862 42.740 34.193 1.00 0.00 WATA O ATOM 6971 H1 TIP3A1057 22.365 43.433 34.709 1.00 0.00 WATA H ATOM 6972 H2 TIP3A1057 22.460 41.961 34.007 1.00 0.00 WATA H ATOM 6973 OH2 TIP3A1058 -49.742 -48.377 -18.650 1.00 0.00 WATA O ATOM 6974 H1 TIP3A1058 -50.654 -48.006 -18.829 1.00 0.00 WATA H ATOM 6975 H2 TIP3A1058 -49.764 -49.372 -18.737 1.00 0.00 WATA H ATOM 6976 OH2 TIP3A1059 13.126 -42.825 28.320 1.00 0.00 WATA O ATOM 6977 H1 TIP3A1059 12.964 -43.804 28.447 1.00 0.00 WATA H ATOM 6978 H2 TIP3A1059 12.255 -42.335 28.361 1.00 0.00 WATA H ATOM 6979 OH2 TIP3A1060 -32.486 -3.213 -44.682 1.00 0.00 WATA O ATOM 6980 H1 TIP3A1060 -33.202 -3.904 -44.787 1.00 0.00 WATA H ATOM 6981 H2 TIP3A1060 -32.899 -2.342 -44.421 1.00 0.00 WATA H ATOM 6982 OH2 TIP3A1061 8.560 -39.824 13.480 1.00 0.00 WATA O ATOM 6983 H1 TIP3A1061 8.721 -39.873 14.466 1.00 0.00 WATA H ATOM 6984 H2 TIP3A1061 9.382 -40.113 12.992 1.00 0.00 WATA H ATOM 6985 OH2 TIP3A1062 35.059 49.286 -28.463 1.00 0.00 WATA O ATOM 6986 H1 TIP3A1062 35.288 50.219 -28.740 1.00 0.00 WATA H ATOM 6987 H2 TIP3A1062 35.682 48.643 -28.908 1.00 0.00 WATA H ATOM 6988 OH2 TIP3A1063 -15.067 47.709 -38.868 1.00 0.00 WATA O ATOM 6989 H1 TIP3A1063 -14.752 46.761 -38.924 1.00 0.00 WATA H ATOM 6990 H2 TIP3A1063 -16.065 47.733 -38.927 1.00 0.00 WATA H ATOM 6991 OH2 TIP3A1064 18.670 -1.385 -44.210 1.00 0.00 WATA O ATOM 6992 H1 TIP3A1064 18.075 -0.640 -43.910 1.00 0.00 WATA H ATOM 6993 H2 TIP3A1064 19.513 -1.006 -44.592 1.00 0.00 WATA H ATOM 6994 OH2 TIP3A1065 -30.172 -53.345 15.359 1.00 0.00 WATA O ATOM 6995 H1 TIP3A1065 -29.849 -52.406 15.236 1.00 0.00 WATA H ATOM 6996 H2 TIP3A1065 -31.167 -53.345 15.460 1.00 0.00 WATA H ATOM 6997 OH2 TIP3A1066 26.113 36.259 -13.390 1.00 0.00 WATA O ATOM 6998 H1 TIP3A1066 26.885 36.832 -13.665 1.00 0.00 WATA H ATOM 6999 H2 TIP3A1066 25.345 36.840 -13.121 1.00 0.00 WATA H ATOM 7000 OH2 TIP3A1067 52.579 -33.945 -19.680 1.00 0.00 WATA O ATOM 7001 H1 TIP3A1067 52.033 -33.323 -20.241 1.00 0.00 WATA H ATOM 7002 H2 TIP3A1067 52.599 -34.849 -20.107 1.00 0.00 WATA H ATOM 7003 OH2 TIP3A1068 -31.514 -20.511 9.696 1.00 0.00 WATA O ATOM 7004 H1 TIP3A1068 -31.947 -21.106 10.374 1.00 0.00 WATA H ATOM 7005 H2 TIP3A1068 -30.599 -20.854 9.487 1.00 0.00 WATA H ATOM 7006 OH2 TIP3A1069 45.863 -27.578 -43.546 1.00 0.00 WATA O ATOM 7007 H1 TIP3A1069 46.395 -27.872 -42.752 1.00 0.00 WATA H ATOM 7008 H2 TIP3A1069 45.278 -28.328 -43.852 1.00 0.00 WATA H ATOM 7009 OH2 TIP3A1070 -1.941 -0.235 53.185 1.00 0.00 WATA O ATOM 7010 H1 TIP3A1070 -2.306 0.001 52.284 1.00 0.00 WATA H ATOM 7011 H2 TIP3A1070 -2.054 -1.215 53.345 1.00 0.00 WATA H ATOM 7012 OH2 TIP3A1071 -13.687 44.943 -0.120 1.00 0.00 WATA O ATOM 7013 H1 TIP3A1071 -13.799 45.923 -0.284 1.00 0.00 WATA H ATOM 7014 H2 TIP3A1071 -14.585 44.520 -0.004 1.00 0.00 WATA H ATOM 7015 OH2 TIP3A1072 -29.098 -21.704 -20.983 1.00 0.00 WATA O ATOM 7016 H1 TIP3A1072 -28.401 -21.168 -21.458 1.00 0.00 WATA H ATOM 7017 H2 TIP3A1072 -29.855 -21.108 -20.717 1.00 0.00 WATA H ATOM 7018 OH2 TIP3A1073 -35.055 17.167 -41.534 1.00 0.00 WATA O ATOM 7019 H1 TIP3A1073 -34.826 16.986 -42.491 1.00 0.00 WATA H ATOM 7020 H2 TIP3A1073 -35.827 17.800 -41.490 1.00 0.00 WATA H ATOM 7021 OH2 TIP3A1074 5.115 -14.275 48.559 1.00 0.00 WATA O ATOM 7022 H1 TIP3A1074 4.665 -15.120 48.270 1.00 0.00 WATA H ATOM 7023 H2 TIP3A1074 4.470 -13.714 49.076 1.00 0.00 WATA H ATOM 7024 OH2 TIP3A1075 -50.351 -8.480 -9.148 1.00 0.00 WATA O ATOM 7025 H1 TIP3A1075 -49.917 -7.579 -9.143 1.00 0.00 WATA H ATOM 7026 H2 TIP3A1075 -51.344 -8.373 -9.137 1.00 0.00 WATA H ATOM 7027 OH2 TIP3A1076 31.227 -19.200 17.603 1.00 0.00 WATA O ATOM 7028 H1 TIP3A1076 31.898 -19.938 17.526 1.00 0.00 WATA H ATOM 7029 H2 TIP3A1076 31.697 -18.318 17.579 1.00 0.00 WATA H ATOM 7030 OH2 TIP3A1077 -13.101 -6.804 29.282 1.00 0.00 WATA O ATOM 7031 H1 TIP3A1077 -12.914 -6.658 28.310 1.00 0.00 WATA H ATOM 7032 H2 TIP3A1077 -12.352 -6.427 29.826 1.00 0.00 WATA H ATOM 7033 OH2 TIP3A1078 -27.542 3.491 -35.190 1.00 0.00 WATA O ATOM 7034 H1 TIP3A1078 -27.076 2.610 -35.269 1.00 0.00 WATA H ATOM 7035 H2 TIP3A1078 -28.132 3.485 -34.383 1.00 0.00 WATA H ATOM 7036 OH2 TIP3A1079 -24.792 -0.524 16.443 1.00 0.00 WATA O ATOM 7037 H1 TIP3A1079 -24.393 -1.427 16.604 1.00 0.00 WATA H ATOM 7038 H2 TIP3A1079 -25.394 -0.563 15.646 1.00 0.00 WATA H ATOM 7039 OH2 TIP3A1080 5.070 43.284 -13.426 1.00 0.00 WATA O ATOM 7040 H1 TIP3A1080 5.435 43.083 -12.517 1.00 0.00 WATA H ATOM 7041 H2 TIP3A1080 4.883 42.428 -13.907 1.00 0.00 WATA H ATOM 7042 OH2 TIP3A1081 -52.159 -5.209 12.522 1.00 0.00 WATA O ATOM 7043 H1 TIP3A1081 -51.872 -4.986 11.590 1.00 0.00 WATA H ATOM 7044 H2 TIP3A1081 -52.440 -6.167 12.565 1.00 0.00 WATA H ATOM 7045 OH2 TIP3A1082 16.037 -28.680 -9.725 1.00 0.00 WATA O ATOM 7046 H1 TIP3A1082 15.724 -29.617 -9.569 1.00 0.00 WATA H ATOM 7047 H2 TIP3A1082 15.249 -28.085 -9.875 1.00 0.00 WATA H ATOM 7048 OH2 TIP3A1083 -27.691 18.720 6.574 1.00 0.00 WATA O ATOM 7049 H1 TIP3A1083 -27.258 17.917 6.165 1.00 0.00 WATA H ATOM 7050 H2 TIP3A1083 -28.678 18.680 6.424 1.00 0.00 WATA H ATOM 7051 OH2 TIP3A1084 -36.002 -29.328 26.511 1.00 0.00 WATA O ATOM 7052 H1 TIP3A1084 -35.909 -29.773 27.402 1.00 0.00 WATA H ATOM 7053 H2 TIP3A1084 -35.306 -28.617 26.420 1.00 0.00 WATA H ATOM 7054 OH2 TIP3A1085 27.509 -11.797 -37.261 1.00 0.00 WATA O ATOM 7055 H1 TIP3A1085 28.508 -11.757 -37.261 1.00 0.00 WATA H ATOM 7056 H2 TIP3A1085 27.137 -10.870 -37.254 1.00 0.00 WATA H ATOM 7057 OH2 TIP3A1086 46.030 -44.121 7.383 1.00 0.00 WATA O ATOM 7058 H1 TIP3A1086 46.740 -44.588 6.856 1.00 0.00 WATA H ATOM 7059 H2 TIP3A1086 45.130 -44.400 7.050 1.00 0.00 WATA H ATOM 7060 OH2 TIP3A1087 17.920 -31.662 -5.404 1.00 0.00 WATA O ATOM 7061 H1 TIP3A1087 18.382 -30.904 -4.943 1.00 0.00 WATA H ATOM 7062 H2 TIP3A1087 18.359 -31.833 -6.286 1.00 0.00 WATA H ATOM 7063 OH2 TIP3A1088 1.906 46.593 -47.827 1.00 0.00 WATA O ATOM 7064 H1 TIP3A1088 1.011 46.221 -47.582 1.00 0.00 WATA H ATOM 7065 H2 TIP3A1088 2.360 45.975 -48.468 1.00 0.00 WATA H ATOM 7066 OH2 TIP3A1089 46.876 7.022 -29.204 1.00 0.00 WATA O ATOM 7067 H1 TIP3A1089 46.142 7.649 -28.943 1.00 0.00 WATA H ATOM 7068 H2 TIP3A1089 47.280 7.321 -30.068 1.00 0.00 WATA H ATOM 7069 OH2 TIP3A1090 19.458 -40.498 51.145 1.00 0.00 WATA O ATOM 7070 H1 TIP3A1090 18.702 -41.143 51.256 1.00 0.00 WATA H ATOM 7071 H2 TIP3A1090 19.887 -40.636 50.253 1.00 0.00 WATA H ATOM 7072 OH2 TIP3A1091 -45.048 -7.671 3.259 1.00 0.00 WATA O ATOM 7073 H1 TIP3A1091 -45.326 -8.610 3.462 1.00 0.00 WATA H ATOM 7074 H2 TIP3A1091 -44.127 -7.512 3.612 1.00 0.00 WATA H ATOM 7075 OH2 TIP3A1092 -10.319 34.237 22.205 1.00 0.00 WATA O ATOM 7076 H1 TIP3A1092 -10.850 35.082 22.133 1.00 0.00 WATA H ATOM 7077 H2 TIP3A1092 -10.859 33.472 21.856 1.00 0.00 WATA H ATOM 7078 OH2 TIP3A1093 -36.144 -28.649 -10.533 1.00 0.00 WATA O ATOM 7079 H1 TIP3A1093 -36.142 -29.649 -10.521 1.00 0.00 WATA H ATOM 7080 H2 TIP3A1093 -37.086 -28.316 -10.535 1.00 0.00 WATA H ATOM 7081 OH2 TIP3A1094 44.219 -42.663 0.992 1.00 0.00 WATA O ATOM 7082 H1 TIP3A1094 43.550 -42.871 1.706 1.00 0.00 WATA H ATOM 7083 H2 TIP3A1094 45.128 -42.953 1.291 1.00 0.00 WATA H ATOM 7084 OH2 TIP3A1095 -11.632 4.894 27.212 1.00 0.00 WATA O ATOM 7085 H1 TIP3A1095 -12.493 5.372 27.388 1.00 0.00 WATA H ATOM 7086 H2 TIP3A1095 -11.664 3.985 27.626 1.00 0.00 WATA H ATOM 7087 OH2 TIP3A1096 43.332 2.118 12.111 1.00 0.00 WATA O ATOM 7088 H1 TIP3A1096 43.450 3.106 12.008 1.00 0.00 WATA H ATOM 7089 H2 TIP3A1096 42.357 1.898 12.125 1.00 0.00 WATA H ATOM 7090 OH2 TIP3A1097 -24.277 20.837 19.886 1.00 0.00 WATA O ATOM 7091 H1 TIP3A1097 -25.127 21.353 19.777 1.00 0.00 WATA H ATOM 7092 H2 TIP3A1097 -24.433 20.064 20.499 1.00 0.00 WATA H ATOM 7093 OH2 TIP3A1098 -39.618 -2.748 38.363 1.00 0.00 WATA O ATOM 7094 H1 TIP3A1098 -40.551 -3.105 38.326 1.00 0.00 WATA H ATOM 7095 H2 TIP3A1098 -39.628 -1.769 38.164 1.00 0.00 WATA H ATOM 7096 OH2 TIP3A1099 -47.204 44.800 -27.422 1.00 0.00 WATA O ATOM 7097 H1 TIP3A1099 -47.424 43.884 -27.086 1.00 0.00 WATA H ATOM 7098 H2 TIP3A1099 -46.290 44.796 -27.826 1.00 0.00 WATA H ATOM 7099 OH2 TIP3A1100 -3.982 13.082 -37.234 1.00 0.00 WATA O ATOM 7100 H1 TIP3A1100 -4.050 12.084 -37.215 1.00 0.00 WATA H ATOM 7101 H2 TIP3A1100 -4.874 13.481 -37.028 1.00 0.00 WATA H ATOM 7102 OH2 TIP3A1101 -36.841 23.066 -53.302 1.00 0.00 WATA O ATOM 7103 H1 TIP3A1101 -35.926 22.663 -53.307 1.00 0.00 WATA H ATOM 7104 H2 TIP3A1101 -37.527 22.340 -53.345 1.00 0.00 WATA H ATOM 7105 OH2 TIP3A1102 33.573 -34.648 26.290 1.00 0.00 WATA O ATOM 7106 H1 TIP3A1102 32.896 -33.919 26.390 1.00 0.00 WATA H ATOM 7107 H2 TIP3A1102 33.398 -35.152 25.446 1.00 0.00 WATA H ATOM 7108 OH2 TIP3A1103 -19.488 -42.928 49.228 1.00 0.00 WATA O ATOM 7109 H1 TIP3A1103 -19.247 -43.589 49.939 1.00 0.00 WATA H ATOM 7110 H2 TIP3A1103 -19.725 -42.054 49.651 1.00 0.00 WATA H ATOM 7111 OH2 TIP3A1104 -10.783 -35.010 21.293 1.00 0.00 WATA O ATOM 7112 H1 TIP3A1104 -11.021 -34.716 22.219 1.00 0.00 WATA H ATOM 7113 H2 TIP3A1104 -10.028 -35.663 21.334 1.00 0.00 WATA H ATOM 7114 OH2 TIP3A1105 1.478 -31.224 40.084 1.00 0.00 WATA O ATOM 7115 H1 TIP3A1105 1.056 -31.627 39.272 1.00 0.00 WATA H ATOM 7116 H2 TIP3A1105 1.562 -30.235 39.961 1.00 0.00 WATA H ATOM 7117 OH2 TIP3A1106 29.286 -28.004 35.405 1.00 0.00 WATA O ATOM 7118 H1 TIP3A1106 29.474 -27.048 35.630 1.00 0.00 WATA H ATOM 7119 H2 TIP3A1106 30.144 -28.515 35.374 1.00 0.00 WATA H ATOM 7120 OH2 TIP3A1107 1.255 12.103 -27.205 1.00 0.00 WATA O ATOM 7121 H1 TIP3A1107 1.671 11.400 -27.782 1.00 0.00 WATA H ATOM 7122 H2 TIP3A1107 0.287 11.895 -27.070 1.00 0.00 WATA H ATOM 7123 OH2 TIP3A1108 17.431 48.689 46.870 1.00 0.00 WATA O ATOM 7124 H1 TIP3A1108 16.493 48.996 47.033 1.00 0.00 WATA H ATOM 7125 H2 TIP3A1108 17.949 49.421 46.429 1.00 0.00 WATA H ATOM 7126 OH2 TIP3A1109 18.504 -31.469 -19.262 1.00 0.00 WATA O ATOM 7127 H1 TIP3A1109 18.649 -30.479 -19.265 1.00 0.00 WATA H ATOM 7128 H2 TIP3A1109 17.523 -31.661 -19.288 1.00 0.00 WATA H ATOM 7129 OH2 TIP3A1110 44.086 15.941 7.758 1.00 0.00 WATA O ATOM 7130 H1 TIP3A1110 43.226 15.468 7.948 1.00 0.00 WATA H ATOM 7131 H2 TIP3A1110 43.978 16.918 7.942 1.00 0.00 WATA H ATOM 7132 OH2 TIP3A1111 -36.893 -20.858 8.209 1.00 0.00 WATA O ATOM 7133 H1 TIP3A1111 -37.396 -21.155 7.397 1.00 0.00 WATA H ATOM 7134 H2 TIP3A1111 -36.968 -19.866 8.303 1.00 0.00 WATA H ATOM 7135 OH2 TIP3A1112 20.091 29.446 -16.537 1.00 0.00 WATA O ATOM 7136 H1 TIP3A1112 19.221 28.983 -16.364 1.00 0.00 WATA H ATOM 7137 H2 TIP3A1112 20.209 30.190 -15.880 1.00 0.00 WATA H ATOM 7138 OH2 TIP3A1113 -33.217 35.120 -9.175 1.00 0.00 WATA O ATOM 7139 H1 TIP3A1113 -34.103 35.577 -9.250 1.00 0.00 WATA H ATOM 7140 H2 TIP3A1113 -32.501 35.802 -9.027 1.00 0.00 WATA H ATOM 7141 OH2 TIP3A1114 -20.614 47.020 40.904 1.00 0.00 WATA O ATOM 7142 H1 TIP3A1114 -20.806 47.855 41.420 1.00 0.00 WATA H ATOM 7143 H2 TIP3A1114 -21.456 46.491 40.800 1.00 0.00 WATA H ATOM 7144 OH2 TIP3A1115 -20.176 0.196 43.251 1.00 0.00 WATA O ATOM 7145 H1 TIP3A1115 -19.181 0.274 43.180 1.00 0.00 WATA H ATOM 7146 H2 TIP3A1115 -20.444 -0.761 43.138 1.00 0.00 WATA H ATOM 7147 OH2 TIP3A1116 -48.375 -7.233 -18.826 1.00 0.00 WATA O ATOM 7148 H1 TIP3A1116 -47.941 -7.998 -18.349 1.00 0.00 WATA H ATOM 7149 H2 TIP3A1116 -48.440 -7.443 -19.801 1.00 0.00 WATA H ATOM 7150 OH2 TIP3A1117 30.700 -22.433 -18.871 1.00 0.00 WATA O ATOM 7151 H1 TIP3A1117 30.822 -23.375 -19.186 1.00 0.00 WATA H ATOM 7152 H2 TIP3A1117 31.216 -21.814 -19.462 1.00 0.00 WATA H ATOM 7153 OH2 TIP3A1118 18.473 -39.542 -34.151 1.00 0.00 WATA O ATOM 7154 H1 TIP3A1118 18.737 -39.827 -33.229 1.00 0.00 WATA H ATOM 7155 H2 TIP3A1118 18.927 -38.681 -34.376 1.00 0.00 WATA H ATOM 7156 OH2 TIP3A1119 -48.509 -9.503 -8.514 1.00 0.00 WATA O ATOM 7157 H1 TIP3A1119 -47.985 -10.181 -7.999 1.00 0.00 WATA H ATOM 7158 H2 TIP3A1119 -48.135 -8.592 -8.345 1.00 0.00 WATA H ATOM 7159 OH2 TIP3A1120 49.137 -4.190 34.148 1.00 0.00 WATA O ATOM 7160 H1 TIP3A1120 48.142 -4.281 34.104 1.00 0.00 WATA H ATOM 7161 H2 TIP3A1120 49.385 -3.222 34.116 1.00 0.00 WATA H ATOM 7162 OH2 TIP3A1121 40.977 -1.013 46.933 1.00 0.00 WATA O ATOM 7163 H1 TIP3A1121 40.673 -0.069 47.060 1.00 0.00 WATA H ATOM 7164 H2 TIP3A1121 40.960 -1.490 47.811 1.00 0.00 WATA H ATOM 7165 OH2 TIP3A1122 -16.720 -40.915 -25.368 1.00 0.00 WATA O ATOM 7166 H1 TIP3A1122 -16.513 -40.442 -24.511 1.00 0.00 WATA H ATOM 7167 H2 TIP3A1122 -15.990 -41.566 -25.575 1.00 0.00 WATA H ATOM 7168 OH2 TIP3A1123 8.664 -31.883 7.541 1.00 0.00 WATA O ATOM 7169 H1 TIP3A1123 8.301 -30.954 7.612 1.00 0.00 WATA H ATOM 7170 H2 TIP3A1123 7.910 -32.539 7.560 1.00 0.00 WATA H ATOM 7171 OH2 TIP3A1124 -6.366 -46.537 -17.399 1.00 0.00 WATA O ATOM 7172 H1 TIP3A1124 -6.533 -46.503 -16.414 1.00 0.00 WATA H ATOM 7173 H2 TIP3A1124 -6.006 -45.657 -17.707 1.00 0.00 WATA H ATOM 7174 OH2 TIP3A1125 32.991 31.897 -29.351 1.00 0.00 WATA O ATOM 7175 H1 TIP3A1125 32.265 32.579 -29.434 1.00 0.00 WATA H ATOM 7176 H2 TIP3A1125 33.881 32.350 -29.383 1.00 0.00 WATA H ATOM 7177 OH2 TIP3A1126 20.457 -8.944 25.384 1.00 0.00 WATA O ATOM 7178 H1 TIP3A1126 20.240 -8.011 25.099 1.00 0.00 WATA H ATOM 7179 H2 TIP3A1126 21.443 -9.033 25.515 1.00 0.00 WATA H ATOM 7180 OH2 TIP3A1127 10.063 41.065 -0.131 1.00 0.00 WATA O ATOM 7181 H1 TIP3A1127 10.024 42.046 0.060 1.00 0.00 WATA H ATOM 7182 H2 TIP3A1127 10.442 40.586 0.660 1.00 0.00 WATA H ATOM 7183 OH2 TIP3A1128 -13.124 -53.345 1.008 1.00 0.00 WATA O ATOM 7184 H1 TIP3A1128 -13.717 -52.628 0.640 1.00 0.00 WATA H ATOM 7185 H2 TIP3A1128 -13.171 -53.336 2.006 1.00 0.00 WATA H ATOM 7186 OH2 TIP3A1129 25.069 38.611 24.869 1.00 0.00 WATA O ATOM 7187 H1 TIP3A1129 25.775 39.150 25.329 1.00 0.00 WATA H ATOM 7188 H2 TIP3A1129 24.731 37.905 25.490 1.00 0.00 WATA H ATOM 7189 OH2 TIP3A1130 -2.418 -45.435 -46.847 1.00 0.00 WATA O ATOM 7190 H1 TIP3A1130 -2.174 -46.399 -46.954 1.00 0.00 WATA H ATOM 7191 H2 TIP3A1130 -3.395 -45.357 -46.653 1.00 0.00 WATA H ATOM 7192 OH2 TIP3A1131 -48.137 48.470 -50.539 1.00 0.00 WATA O ATOM 7193 H1 TIP3A1131 -48.910 47.968 -50.928 1.00 0.00 WATA H ATOM 7194 H2 TIP3A1131 -47.892 48.072 -49.655 1.00 0.00 WATA H ATOM 7195 OH2 TIP3A1132 25.376 -39.136 -20.959 1.00 0.00 WATA O ATOM 7196 H1 TIP3A1132 25.892 -38.387 -20.543 1.00 0.00 WATA H ATOM 7197 H2 TIP3A1132 24.827 -38.782 -21.716 1.00 0.00 WATA H ATOM 7198 OH2 TIP3A1133 -2.751 -5.411 38.119 1.00 0.00 WATA O ATOM 7199 H1 TIP3A1133 -3.602 -5.938 38.113 1.00 0.00 WATA H ATOM 7200 H2 TIP3A1133 -1.972 -6.036 38.120 1.00 0.00 WATA H ATOM 7201 OH2 TIP3A1134 -38.386 26.579 17.770 1.00 0.00 WATA O ATOM 7202 H1 TIP3A1134 -39.233 26.106 18.013 1.00 0.00 WATA H ATOM 7203 H2 TIP3A1134 -38.099 26.300 16.854 1.00 0.00 WATA H ATOM 7204 OH2 TIP3A1135 5.250 35.462 -36.252 1.00 0.00 WATA O ATOM 7205 H1 TIP3A1135 4.738 35.299 -37.095 1.00 0.00 WATA H ATOM 7206 H2 TIP3A1135 5.481 34.587 -35.827 1.00 0.00 WATA H ATOM 7207 OH2 TIP3A1136 9.263 32.603 52.673 1.00 0.00 WATA O ATOM 7208 H1 TIP3A1136 8.775 32.525 51.803 1.00 0.00 WATA H ATOM 7209 H2 TIP3A1136 8.677 33.055 53.345 1.00 0.00 WATA H ATOM 7210 OH2 TIP3A1137 47.080 -14.874 37.201 1.00 0.00 WATA O ATOM 7211 H1 TIP3A1137 46.918 -14.446 36.312 1.00 0.00 WATA H ATOM 7212 H2 TIP3A1137 47.795 -14.372 37.688 1.00 0.00 WATA H ATOM 7213 OH2 TIP3A1138 -29.032 -4.020 -8.079 1.00 0.00 WATA O ATOM 7214 H1 TIP3A1138 -28.724 -4.920 -8.389 1.00 0.00 WATA H ATOM 7215 H2 TIP3A1138 -30.018 -3.938 -8.223 1.00 0.00 WATA H ATOM 7216 OH2 TIP3A1139 26.344 12.093 -42.162 1.00 0.00 WATA O ATOM 7217 H1 TIP3A1139 26.351 13.013 -42.554 1.00 0.00 WATA H ATOM 7218 H2 TIP3A1139 25.520 11.611 -42.456 1.00 0.00 WATA H ATOM 7219 OH2 TIP3A1140 30.666 14.861 37.625 1.00 0.00 WATA O ATOM 7220 H1 TIP3A1140 30.070 15.368 37.001 1.00 0.00 WATA H ATOM 7221 H2 TIP3A1140 30.354 14.994 38.565 1.00 0.00 WATA H ATOM 7222 OH2 TIP3A1141 45.157 37.336 49.334 1.00 0.00 WATA O ATOM 7223 H1 TIP3A1141 45.846 37.948 49.724 1.00 0.00 WATA H ATOM 7224 H2 TIP3A1141 45.569 36.443 49.155 1.00 0.00 WATA H ATOM 7225 OH2 TIP3A1142 20.816 -30.782 -48.582 1.00 0.00 WATA O ATOM 7226 H1 TIP3A1142 21.715 -30.357 -48.689 1.00 0.00 WATA H ATOM 7227 H2 TIP3A1142 20.204 -30.153 -48.103 1.00 0.00 WATA H ATOM 7228 OH2 TIP3A1143 51.926 0.777 -26.758 1.00 0.00 WATA O ATOM 7229 H1 TIP3A1143 52.880 0.733 -27.056 1.00 0.00 WATA H ATOM 7230 H2 TIP3A1143 51.528 -0.140 -26.777 1.00 0.00 WATA H ATOM 7231 OH2 TIP3A1144 -36.897 -48.513 24.411 1.00 0.00 WATA O ATOM 7232 H1 TIP3A1144 -36.070 -48.274 23.901 1.00 0.00 WATA H ATOM 7233 H2 TIP3A1144 -36.932 -49.503 24.544 1.00 0.00 WATA H ATOM 7234 OH2 TIP3A1145 45.977 -5.824 50.040 1.00 0.00 WATA O ATOM 7235 H1 TIP3A1145 46.522 -6.653 49.920 1.00 0.00 WATA H ATOM 7236 H2 TIP3A1145 45.082 -6.064 50.414 1.00 0.00 WATA H ATOM 7237 OH2 TIP3A1146 35.255 -13.549 -31.456 1.00 0.00 WATA O ATOM 7238 H1 TIP3A1146 34.859 -13.201 -32.305 1.00 0.00 WATA H ATOM 7239 H2 TIP3A1146 35.129 -14.540 -31.410 1.00 0.00 WATA H ATOM 7240 OH2 TIP3A1147 -53.302 -13.363 -10.756 1.00 0.00 WATA O ATOM 7241 H1 TIP3A1147 -53.345 -13.233 -11.746 1.00 0.00 WATA H ATOM 7242 H2 TIP3A1147 -52.380 -13.157 -10.431 1.00 0.00 WATA H ATOM 7243 OH2 TIP3A1148 -24.225 -31.279 17.674 1.00 0.00 WATA O ATOM 7244 H1 TIP3A1148 -24.539 -32.228 17.707 1.00 0.00 WATA H ATOM 7245 H2 TIP3A1148 -25.014 -30.666 17.685 1.00 0.00 WATA H ATOM 7246 OH2 TIP3A1149 -43.773 6.726 17.652 1.00 0.00 WATA O ATOM 7247 H1 TIP3A1149 -43.590 7.683 17.423 1.00 0.00 WATA H ATOM 7248 H2 TIP3A1149 -44.388 6.683 18.439 1.00 0.00 WATA H ATOM 7249 OH2 TIP3A1150 33.456 -49.438 23.221 1.00 0.00 WATA O ATOM 7250 H1 TIP3A1150 33.345 -50.403 22.981 1.00 0.00 WATA H ATOM 7251 H2 TIP3A1150 32.844 -48.883 22.658 1.00 0.00 WATA H ATOM 7252 OH2 TIP3A1151 -33.889 34.024 31.995 1.00 0.00 WATA O ATOM 7253 H1 TIP3A1151 -34.710 34.318 31.504 1.00 0.00 WATA H ATOM 7254 H2 TIP3A1151 -33.565 34.768 32.578 1.00 0.00 WATA H ATOM 7255 OH2 TIP3A1152 21.638 35.100 51.177 1.00 0.00 WATA O ATOM 7256 H1 TIP3A1152 22.360 34.408 51.210 1.00 0.00 WATA H ATOM 7257 H2 TIP3A1152 22.050 36.008 51.110 1.00 0.00 WATA H ATOM 7258 OH2 TIP3A1153 33.533 46.825 -29.766 1.00 0.00 WATA O ATOM 7259 H1 TIP3A1153 33.530 45.938 -29.302 1.00 0.00 WATA H ATOM 7260 H2 TIP3A1153 32.592 47.126 -29.916 1.00 0.00 WATA H ATOM 7261 OH2 TIP3A1154 50.849 22.809 30.534 1.00 0.00 WATA O ATOM 7262 H1 TIP3A1154 50.223 22.868 29.756 1.00 0.00 WATA H ATOM 7263 H2 TIP3A1154 50.330 22.616 31.366 1.00 0.00 WATA H ATOM 7264 OH2 TIP3A1155 45.589 -44.931 12.823 1.00 0.00 WATA O ATOM 7265 H1 TIP3A1155 44.677 -45.223 12.534 1.00 0.00 WATA H ATOM 7266 H2 TIP3A1155 45.916 -45.530 13.553 1.00 0.00 WATA H ATOM 7267 OH2 TIP3A1156 -48.271 33.145 -13.383 1.00 0.00 WATA O ATOM 7268 H1 TIP3A1156 -47.623 32.389 -13.291 1.00 0.00 WATA H ATOM 7269 H2 TIP3A1156 -47.971 33.913 -12.819 1.00 0.00 WATA H ATOM 7270 OH2 TIP3A1157 23.559 -28.916 11.403 1.00 0.00 WATA O ATOM 7271 H1 TIP3A1157 23.136 -29.788 11.652 1.00 0.00 WATA H ATOM 7272 H2 TIP3A1157 24.449 -28.837 11.850 1.00 0.00 WATA H ATOM 7273 OH2 TIP3A1158 42.585 44.957 -0.330 1.00 0.00 WATA O ATOM 7274 H1 TIP3A1158 42.026 45.158 0.475 1.00 0.00 WATA H ATOM 7275 H2 TIP3A1158 41.990 44.764 -1.109 1.00 0.00 WATA H ATOM 7276 OH2 TIP3A1159 -40.590 33.569 20.568 1.00 0.00 WATA O ATOM 7277 H1 TIP3A1159 -40.565 34.565 20.486 1.00 0.00 WATA H ATOM 7278 H2 TIP3A1159 -41.353 33.302 21.157 1.00 0.00 WATA H ATOM 7279 OH2 TIP3A1160 11.322 -51.388 -3.680 1.00 0.00 WATA O ATOM 7280 H1 TIP3A1160 11.479 -52.315 -3.340 1.00 0.00 WATA H ATOM 7281 H2 TIP3A1160 10.376 -51.122 -3.501 1.00 0.00 WATA H ATOM 7282 OH2 TIP3A1161 44.115 -31.518 -48.410 1.00 0.00 WATA O ATOM 7283 H1 TIP3A1161 43.212 -31.758 -48.766 1.00 0.00 WATA H ATOM 7284 H2 TIP3A1161 44.804 -31.671 -49.118 1.00 0.00 WATA H ATOM 7285 OH2 TIP3A1162 38.328 -11.890 -48.641 1.00 0.00 WATA O ATOM 7286 H1 TIP3A1162 37.361 -12.105 -48.500 1.00 0.00 WATA H ATOM 7287 H2 TIP3A1162 38.579 -11.100 -48.082 1.00 0.00 WATA H ATOM 7288 OH2 TIP3A1163 37.207 19.357 -24.214 1.00 0.00 WATA O ATOM 7289 H1 TIP3A1163 36.989 18.823 -23.396 1.00 0.00 WATA H ATOM 7290 H2 TIP3A1163 38.062 19.025 -24.611 1.00 0.00 WATA H ATOM 7291 OH2 TIP3A1164 -16.295 -8.871 35.722 1.00 0.00 WATA O ATOM 7292 H1 TIP3A1164 -15.660 -8.715 36.479 1.00 0.00 WATA H ATOM 7293 H2 TIP3A1164 -16.044 -9.712 35.244 1.00 0.00 WATA H ATOM 7294 OH2 TIP3A1165 41.040 -48.529 13.381 1.00 0.00 WATA O ATOM 7295 H1 TIP3A1165 40.463 -49.279 13.056 1.00 0.00 WATA H ATOM 7296 H2 TIP3A1165 40.544 -47.666 13.298 1.00 0.00 WATA H ATOM 7297 OH2 TIP3A1166 -35.956 -20.968 52.406 1.00 0.00 WATA O ATOM 7298 H1 TIP3A1166 -36.944 -21.013 52.557 1.00 0.00 WATA H ATOM 7299 H2 TIP3A1166 -35.754 -20.262 51.727 1.00 0.00 WATA H ATOM 7300 OH2 TIP3A1167 41.922 5.901 -16.298 1.00 0.00 WATA O ATOM 7301 H1 TIP3A1167 42.484 6.650 -15.944 1.00 0.00 WATA H ATOM 7302 H2 TIP3A1167 42.167 5.052 -15.832 1.00 0.00 WATA H ATOM 7303 OH2 TIP3A1168 -18.887 -27.779 -3.922 1.00 0.00 WATA O ATOM 7304 H1 TIP3A1168 -18.753 -26.798 -3.775 1.00 0.00 WATA H ATOM 7305 H2 TIP3A1168 -18.733 -28.268 -3.064 1.00 0.00 WATA H ATOM 7306 OH2 TIP3A1169 -13.482 -47.169 44.644 1.00 0.00 WATA O ATOM 7307 H1 TIP3A1169 -13.898 -46.421 44.127 1.00 0.00 WATA H ATOM 7308 H2 TIP3A1169 -12.544 -46.926 44.886 1.00 0.00 WATA H ATOM 7309 OH2 TIP3A1170 42.044 -12.975 -21.398 1.00 0.00 WATA O ATOM 7310 H1 TIP3A1170 41.236 -12.595 -21.849 1.00 0.00 WATA H ATOM 7311 H2 TIP3A1170 42.706 -12.246 -21.228 1.00 0.00 WATA H ATOM 7312 OH2 TIP3A1171 -27.386 -44.794 -44.953 1.00 0.00 WATA O ATOM 7313 H1 TIP3A1171 -26.553 -44.260 -45.098 1.00 0.00 WATA H ATOM 7314 H2 TIP3A1171 -27.710 -44.659 -44.017 1.00 0.00 WATA H ATOM 7315 OH2 TIP3A1172 -32.833 -4.414 37.585 1.00 0.00 WATA O ATOM 7316 H1 TIP3A1172 -31.854 -4.219 37.519 1.00 0.00 WATA H ATOM 7317 H2 TIP3A1172 -33.045 -4.745 38.504 1.00 0.00 WATA H ATOM 7318 OH2 TIP3A1173 26.262 48.396 -5.594 1.00 0.00 WATA O ATOM 7319 H1 TIP3A1173 27.044 48.170 -5.013 1.00 0.00 WATA H ATOM 7320 H2 TIP3A1173 26.371 47.956 -6.485 1.00 0.00 WATA H ATOM 7321 OH2 TIP3A1174 53.083 33.638 28.722 1.00 0.00 WATA O ATOM 7322 H1 TIP3A1174 52.651 32.885 28.225 1.00 0.00 WATA H ATOM 7323 H2 TIP3A1174 53.048 34.468 28.166 1.00 0.00 WATA H ATOM 7324 OH2 TIP3A1175 6.217 4.350 40.546 1.00 0.00 WATA O ATOM 7325 H1 TIP3A1175 7.168 4.085 40.709 1.00 0.00 WATA H ATOM 7326 H2 TIP3A1175 6.157 5.345 40.467 1.00 0.00 WATA H ATOM 7327 OH2 TIP3A1176 44.704 -53.071 48.044 1.00 0.00 WATA O ATOM 7328 H1 TIP3A1176 45.393 -52.844 47.356 1.00 0.00 WATA H ATOM 7329 H2 TIP3A1176 44.396 -52.235 48.496 1.00 0.00 WATA H ATOM 7330 OH2 TIP3A1177 46.602 -31.656 51.189 1.00 0.00 WATA O ATOM 7331 H1 TIP3A1177 46.606 -31.045 51.981 1.00 0.00 WATA H ATOM 7332 H2 TIP3A1177 45.950 -32.397 51.343 1.00 0.00 WATA H ATOM 7333 OH2 TIP3A1178 -28.194 -46.119 47.290 1.00 0.00 WATA O ATOM 7334 H1 TIP3A1178 -27.569 -45.918 48.045 1.00 0.00 WATA H ATOM 7335 H2 TIP3A1178 -29.119 -45.832 47.537 1.00 0.00 WATA H ATOM 7336 OH2 TIP3A1179 38.171 24.922 -36.721 1.00 0.00 WATA O ATOM 7337 H1 TIP3A1179 39.092 24.532 -36.714 1.00 0.00 WATA H ATOM 7338 H2 TIP3A1179 38.226 25.911 -36.593 1.00 0.00 WATA H ATOM 7339 OH2 TIP3A1180 36.103 47.480 29.433 1.00 0.00 WATA O ATOM 7340 H1 TIP3A1180 35.151 47.200 29.562 1.00 0.00 WATA H ATOM 7341 H2 TIP3A1180 36.487 47.003 28.643 1.00 0.00 WATA H ATOM 7342 OH2 TIP3A1181 39.408 -1.441 -38.989 1.00 0.00 WATA O ATOM 7343 H1 TIP3A1181 39.739 -0.674 -38.439 1.00 0.00 WATA H ATOM 7344 H2 TIP3A1181 39.915 -1.478 -39.850 1.00 0.00 WATA H ATOM 7345 OH2 TIP3A1182 -37.943 30.422 -50.436 1.00 0.00 WATA O ATOM 7346 H1 TIP3A1182 -38.280 29.483 -50.508 1.00 0.00 WATA H ATOM 7347 H2 TIP3A1182 -38.003 30.727 -49.487 1.00 0.00 WATA H ATOM 7348 OH2 TIP3A1183 39.207 27.897 28.425 1.00 0.00 WATA O ATOM 7349 H1 TIP3A1183 38.219 28.053 28.406 1.00 0.00 WATA H ATOM 7350 H2 TIP3A1183 39.683 28.776 28.409 1.00 0.00 WATA H ATOM 7351 OH2 TIP3A1184 18.644 33.114 33.861 1.00 0.00 WATA O ATOM 7352 H1 TIP3A1184 18.634 32.135 34.061 1.00 0.00 WATA H ATOM 7353 H2 TIP3A1184 19.418 33.325 33.265 1.00 0.00 WATA H ATOM 7354 OH2 TIP3A1185 3.233 51.810 -25.636 1.00 0.00 WATA O ATOM 7355 H1 TIP3A1185 3.201 52.679 -26.131 1.00 0.00 WATA H ATOM 7356 H2 TIP3A1185 4.123 51.712 -25.192 1.00 0.00 WATA H ATOM 7357 OH2 TIP3A1186 26.567 43.930 -39.860 1.00 0.00 WATA O ATOM 7358 H1 TIP3A1186 26.882 44.781 -39.439 1.00 0.00 WATA H ATOM 7359 H2 TIP3A1186 27.354 43.355 -40.080 1.00 0.00 WATA H ATOM 7360 OH2 TIP3A1187 40.175 -34.354 -18.922 1.00 0.00 WATA O ATOM 7361 H1 TIP3A1187 39.463 -34.965 -18.577 1.00 0.00 WATA H ATOM 7362 H2 TIP3A1187 39.802 -33.788 -19.657 1.00 0.00 WATA H ATOM 7363 OH2 TIP3A1188 16.658 -26.907 4.036 1.00 0.00 WATA O ATOM 7364 H1 TIP3A1188 16.877 -27.873 4.173 1.00 0.00 WATA H ATOM 7365 H2 TIP3A1188 17.500 -26.369 4.054 1.00 0.00 WATA H ATOM 7366 OH2 TIP3A1189 -43.635 51.239 -9.546 1.00 0.00 WATA O ATOM 7367 H1 TIP3A1189 -43.482 51.508 -10.498 1.00 0.00 WATA H ATOM 7368 H2 TIP3A1189 -42.808 51.417 -9.013 1.00 0.00 WATA H ATOM 7369 OH2 TIP3A1190 -1.536 50.051 13.548 1.00 0.00 WATA O ATOM 7370 H1 TIP3A1190 -0.591 50.226 13.271 1.00 0.00 WATA H ATOM 7371 H2 TIP3A1190 -1.544 49.601 14.440 1.00 0.00 WATA H ATOM 7372 OH2 TIP3A1191 -39.381 12.200 -8.815 1.00 0.00 WATA O ATOM 7373 H1 TIP3A1191 -39.455 11.233 -9.061 1.00 0.00 WATA H ATOM 7374 H2 TIP3A1191 -40.022 12.734 -9.365 1.00 0.00 WATA H ATOM 7375 OH2 TIP3A1192 -40.694 -21.475 -44.757 1.00 0.00 WATA O ATOM 7376 H1 TIP3A1192 -41.461 -20.857 -44.581 1.00 0.00 WATA H ATOM 7377 H2 TIP3A1192 -41.035 -22.321 -45.165 1.00 0.00 WATA H ATOM 7378 OH2 TIP3A1193 7.684 8.511 44.567 1.00 0.00 WATA O ATOM 7379 H1 TIP3A1193 6.776 8.095 44.611 1.00 0.00 WATA H ATOM 7380 H2 TIP3A1193 8.380 7.794 44.578 1.00 0.00 WATA H ATOM 7381 OH2 TIP3A1194 12.098 -37.891 8.099 1.00 0.00 WATA O ATOM 7382 H1 TIP3A1194 12.797 -38.591 7.951 1.00 0.00 WATA H ATOM 7383 H2 TIP3A1194 12.517 -36.985 8.050 1.00 0.00 WATA H ATOM 7384 OH2 TIP3A1195 -9.272 -30.857 -47.871 1.00 0.00 WATA O ATOM 7385 H1 TIP3A1195 -10.060 -30.741 -48.475 1.00 0.00 WATA H ATOM 7386 H2 TIP3A1195 -9.107 -30.007 -47.371 1.00 0.00 WATA H ATOM 7387 OH2 TIP3A1196 5.525 35.823 -13.770 1.00 0.00 WATA O ATOM 7388 H1 TIP3A1196 6.120 35.029 -13.898 1.00 0.00 WATA H ATOM 7389 H2 TIP3A1196 5.973 36.637 -14.137 1.00 0.00 WATA H ATOM 7390 OH2 TIP3A1197 32.521 53.345 2.689 1.00 0.00 WATA O ATOM 7391 H1 TIP3A1197 31.991 52.587 3.069 1.00 0.00 WATA H ATOM 7392 H2 TIP3A1197 32.463 53.326 1.692 1.00 0.00 WATA H ATOM 7393 OH2 TIP3A1198 6.258 32.037 -3.448 1.00 0.00 WATA O ATOM 7394 H1 TIP3A1198 6.846 31.236 -3.330 1.00 0.00 WATA H ATOM 7395 H2 TIP3A1198 5.311 31.742 -3.562 1.00 0.00 WATA H ATOM 7396 OH2 TIP3A1199 30.519 -37.208 39.631 1.00 0.00 WATA O ATOM 7397 H1 TIP3A1199 29.736 -37.133 40.248 1.00 0.00 WATA H ATOM 7398 H2 TIP3A1199 30.628 -36.354 39.124 1.00 0.00 WATA H ATOM 7399 OH2 TIP3A1200 -50.466 44.810 23.462 1.00 0.00 WATA O ATOM 7400 H1 TIP3A1200 -49.662 45.400 23.539 1.00 0.00 WATA H ATOM 7401 H2 TIP3A1200 -50.176 43.856 23.408 1.00 0.00 WATA H ATOM 7402 OH2 TIP3A1201 6.156 34.473 -16.900 1.00 0.00 WATA O ATOM 7403 H1 TIP3A1201 7.146 34.515 -17.034 1.00 0.00 WATA H ATOM 7404 H2 TIP3A1201 5.782 35.400 -16.884 1.00 0.00 WATA H ATOM 7405 OH2 TIP3A1202 31.443 -46.152 29.080 1.00 0.00 WATA O ATOM 7406 H1 TIP3A1202 31.643 -46.049 30.054 1.00 0.00 WATA H ATOM 7407 H2 TIP3A1202 30.594 -45.673 28.860 1.00 0.00 WATA H ATOM 7408 OH2 TIP3A1203 -1.918 48.719 25.674 1.00 0.00 WATA O ATOM 7409 H1 TIP3A1203 -1.464 48.048 26.260 1.00 0.00 WATA H ATOM 7410 H2 TIP3A1203 -1.935 48.384 24.733 1.00 0.00 WATA H ATOM 7411 OH2 TIP3A1204 -49.421 29.951 33.782 1.00 0.00 WATA O ATOM 7412 H1 TIP3A1204 -50.212 30.558 33.702 1.00 0.00 WATA H ATOM 7413 H2 TIP3A1204 -48.581 30.491 33.748 1.00 0.00 WATA H ATOM 7414 OH2 TIP3A1205 -51.978 -21.819 28.794 1.00 0.00 WATA O ATOM 7415 H1 TIP3A1205 -52.857 -21.886 29.265 1.00 0.00 WATA H ATOM 7416 H2 TIP3A1205 -52.133 -21.716 27.812 1.00 0.00 WATA H ATOM 7417 OH2 TIP3A1206 4.745 26.092 17.266 1.00 0.00 WATA O ATOM 7418 H1 TIP3A1206 4.552 26.145 18.246 1.00 0.00 WATA H ATOM 7419 H2 TIP3A1206 4.180 26.757 16.778 1.00 0.00 WATA H ATOM 7420 OH2 TIP3A1207 49.566 -17.201 46.654 1.00 0.00 WATA O ATOM 7421 H1 TIP3A1207 49.375 -18.182 46.635 1.00 0.00 WATA H ATOM 7422 H2 TIP3A1207 49.371 -16.805 45.758 1.00 0.00 WATA H ATOM 7423 OH2 TIP3A1208 -35.048 49.648 -29.357 1.00 0.00 WATA O ATOM 7424 H1 TIP3A1208 -35.286 48.683 -29.463 1.00 0.00 WATA H ATOM 7425 H2 TIP3A1208 -35.875 50.176 -29.163 1.00 0.00 WATA H ATOM 7426 OH2 TIP3A1209 37.350 33.122 40.756 1.00 0.00 WATA O ATOM 7427 H1 TIP3A1209 37.127 32.882 41.701 1.00 0.00 WATA H ATOM 7428 H2 TIP3A1209 37.551 32.291 40.238 1.00 0.00 WATA H ATOM 7429 OH2 TIP3A1210 48.327 -4.057 -28.849 1.00 0.00 WATA O ATOM 7430 H1 TIP3A1210 48.520 -4.558 -28.006 1.00 0.00 WATA H ATOM 7431 H2 TIP3A1210 47.416 -3.650 -28.794 1.00 0.00 WATA H ATOM 7432 OH2 TIP3A1211 44.292 24.901 7.931 1.00 0.00 WATA O ATOM 7433 H1 TIP3A1211 45.025 25.076 7.273 1.00 0.00 WATA H ATOM 7434 H2 TIP3A1211 44.215 23.918 8.092 1.00 0.00 WATA H ATOM 7435 OH2 TIP3A1212 -47.445 -3.974 -48.785 1.00 0.00 WATA O ATOM 7436 H1 TIP3A1212 -47.482 -2.987 -48.942 1.00 0.00 WATA H ATOM 7437 H2 TIP3A1212 -46.708 -4.372 -49.331 1.00 0.00 WATA H ATOM 7438 OH2 TIP3A1213 -14.561 27.105 -17.786 1.00 0.00 WATA O ATOM 7439 H1 TIP3A1213 -13.620 27.433 -17.699 1.00 0.00 WATA H ATOM 7440 H2 TIP3A1213 -14.788 26.995 -18.753 1.00 0.00 WATA H ATOM 7441 OH2 TIP3A1214 0.041 38.690 3.143 1.00 0.00 WATA O ATOM 7442 H1 TIP3A1214 -0.806 38.567 3.660 1.00 0.00 WATA H ATOM 7443 H2 TIP3A1214 0.815 38.368 3.687 1.00 0.00 WATA H ATOM 7444 OH2 TIP3A1215 -13.369 2.009 -41.429 1.00 0.00 WATA O ATOM 7445 H1 TIP3A1215 -13.286 1.013 -41.414 1.00 0.00 WATA H ATOM 7446 H2 TIP3A1215 -12.458 2.420 -41.417 1.00 0.00 WATA H ATOM 7447 OH2 TIP3A1216 -51.352 34.740 -25.056 1.00 0.00 WATA O ATOM 7448 H1 TIP3A1216 -51.618 33.813 -24.787 1.00 0.00 WATA H ATOM 7449 H2 TIP3A1216 -52.098 35.165 -25.568 1.00 0.00 WATA H ATOM 7450 OH2 TIP3A1217 36.465 -37.403 -41.492 1.00 0.00 WATA O ATOM 7451 H1 TIP3A1217 35.845 -38.045 -41.944 1.00 0.00 WATA H ATOM 7452 H2 TIP3A1217 35.949 -36.611 -41.170 1.00 0.00 WATA H ATOM 7453 OH2 TIP3A1218 37.598 -36.512 -3.512 1.00 0.00 WATA O ATOM 7454 H1 TIP3A1218 38.430 -35.960 -3.572 1.00 0.00 WATA H ATOM 7455 H2 TIP3A1218 36.824 -35.926 -3.274 1.00 0.00 WATA H ATOM 7456 OH2 TIP3A1219 -15.941 14.503 -42.301 1.00 0.00 WATA O ATOM 7457 H1 TIP3A1219 -16.175 14.387 -41.335 1.00 0.00 WATA H ATOM 7458 H2 TIP3A1219 -16.744 14.310 -42.864 1.00 0.00 WATA H ATOM 7459 OH2 TIP3A1220 33.500 -2.139 -9.975 1.00 0.00 WATA O ATOM 7460 H1 TIP3A1220 34.407 -1.762 -9.791 1.00 0.00 WATA H ATOM 7461 H2 TIP3A1220 33.395 -2.291 -10.957 1.00 0.00 WATA H ATOM 7462 OH2 TIP3A1221 -36.004 -46.168 44.980 1.00 0.00 WATA O ATOM 7463 H1 TIP3A1221 -35.198 -45.580 45.060 1.00 0.00 WATA H ATOM 7464 H2 TIP3A1221 -36.257 -46.256 44.017 1.00 0.00 WATA H ATOM 7465 OH2 TIP3A1222 51.431 51.094 -48.269 1.00 0.00 WATA O ATOM 7466 H1 TIP3A1222 51.067 51.568 -49.071 1.00 0.00 WATA H ATOM 7467 H2 TIP3A1222 51.973 51.731 -47.722 1.00 0.00 WATA H ATOM 7468 OH2 TIP3A1223 -27.288 -51.622 47.159 1.00 0.00 WATA O ATOM 7469 H1 TIP3A1223 -27.667 -51.915 48.037 1.00 0.00 WATA H ATOM 7470 H2 TIP3A1223 -27.662 -50.728 46.916 1.00 0.00 WATA H ATOM 7471 OH2 TIP3A1224 15.944 23.056 44.765 1.00 0.00 WATA O ATOM 7472 H1 TIP3A1224 15.139 23.621 44.947 1.00 0.00 WATA H ATOM 7473 H2 TIP3A1224 15.895 22.220 45.311 1.00 0.00 WATA H ATOM 7474 OH2 TIP3A1225 27.197 -16.020 -53.309 1.00 0.00 WATA O ATOM 7475 H1 TIP3A1225 28.196 -16.016 -53.271 1.00 0.00 WATA H ATOM 7476 H2 TIP3A1225 26.861 -15.079 -53.345 1.00 0.00 WATA H ATOM 7477 OH2 TIP3A1226 -41.316 1.458 29.981 1.00 0.00 WATA O ATOM 7478 H1 TIP3A1226 -40.876 1.269 30.860 1.00 0.00 WATA H ATOM 7479 H2 TIP3A1226 -41.291 0.636 29.413 1.00 0.00 WATA H ATOM 7480 OH2 TIP3A1227 -35.240 -48.425 -46.449 1.00 0.00 WATA O ATOM 7481 H1 TIP3A1227 -34.816 -47.528 -46.576 1.00 0.00 WATA H ATOM 7482 H2 TIP3A1227 -34.543 -49.089 -46.184 1.00 0.00 WATA H ATOM 7483 OH2 TIP3A1228 14.730 17.777 -23.958 1.00 0.00 WATA O ATOM 7484 H1 TIP3A1228 14.537 18.062 -23.018 1.00 0.00 WATA H ATOM 7485 H2 TIP3A1228 15.575 18.210 -24.271 1.00 0.00 WATA H ATOM 7486 OH2 TIP3A1229 1.757 -49.043 28.939 1.00 0.00 WATA O ATOM 7487 H1 TIP3A1229 2.104 -48.433 29.652 1.00 0.00 WATA H ATOM 7488 H2 TIP3A1229 0.758 -49.063 28.975 1.00 0.00 WATA H ATOM 7489 OH2 TIP3A1230 -8.704 42.801 -13.023 1.00 0.00 WATA O ATOM 7490 H1 TIP3A1230 -9.394 42.706 -12.305 1.00 0.00 WATA H ATOM 7491 H2 TIP3A1230 -9.122 42.617 -13.912 1.00 0.00 WATA H ATOM 7492 OH2 TIP3A1231 33.506 -23.535 -38.932 1.00 0.00 WATA O ATOM 7493 H1 TIP3A1231 32.641 -23.110 -39.199 1.00 0.00 WATA H ATOM 7494 H2 TIP3A1231 34.228 -22.845 -38.922 1.00 0.00 WATA H ATOM 7495 OH2 TIP3A1232 -25.665 48.505 -45.579 1.00 0.00 WATA O ATOM 7496 H1 TIP3A1232 -25.068 47.707 -45.495 1.00 0.00 WATA H ATOM 7497 H2 TIP3A1232 -25.550 48.914 -46.483 1.00 0.00 WATA H ATOM 7498 OH2 TIP3A1233 -3.944 47.457 -14.060 1.00 0.00 WATA O ATOM 7499 H1 TIP3A1233 -4.689 47.829 -13.506 1.00 0.00 WATA H ATOM 7500 H2 TIP3A1233 -3.129 47.344 -13.492 1.00 0.00 WATA H ATOM 7501 OH2 TIP3A1234 40.419 -23.999 -23.648 1.00 0.00 WATA O ATOM 7502 H1 TIP3A1234 39.562 -24.018 -24.163 1.00 0.00 WATA H ATOM 7503 H2 TIP3A1234 40.984 -23.239 -23.969 1.00 0.00 WATA H ATOM 7504 OH2 TIP3A1235 11.241 27.201 44.376 1.00 0.00 WATA O ATOM 7505 H1 TIP3A1235 11.206 28.180 44.577 1.00 0.00 WATA H ATOM 7506 H2 TIP3A1235 10.453 26.747 44.790 1.00 0.00 WATA H ATOM 7507 OH2 TIP3A1236 51.414 -8.374 -42.716 1.00 0.00 WATA O ATOM 7508 H1 TIP3A1236 52.347 -8.405 -42.357 1.00 0.00 WATA H ATOM 7509 H2 TIP3A1236 51.081 -9.304 -42.862 1.00 0.00 WATA H ATOM 7510 OH2 TIP3A1237 -28.631 -52.439 -12.497 1.00 0.00 WATA O ATOM 7511 H1 TIP3A1237 -27.637 -52.512 -12.416 1.00 0.00 WATA H ATOM 7512 H2 TIP3A1237 -29.021 -53.345 -12.657 1.00 0.00 WATA H ATOM 7513 OH2 TIP3A1238 -47.783 -10.369 -45.804 1.00 0.00 WATA O ATOM 7514 H1 TIP3A1238 -48.512 -10.953 -45.446 1.00 0.00 WATA H ATOM 7515 H2 TIP3A1238 -47.865 -10.305 -46.798 1.00 0.00 WATA H ATOM 7516 OH2 TIP3A1239 -48.663 -12.551 -28.437 1.00 0.00 WATA O ATOM 7517 H1 TIP3A1239 -47.676 -12.557 -28.600 1.00 0.00 WATA H ATOM 7518 H2 TIP3A1239 -48.953 -13.452 -28.116 1.00 0.00 WATA H ATOM 7519 OH2 TIP3A1240 -52.772 -17.344 37.487 1.00 0.00 WATA O ATOM 7520 H1 TIP3A1240 -53.345 -16.599 37.144 1.00 0.00 WATA H ATOM 7521 H2 TIP3A1240 -53.345 -18.022 37.946 1.00 0.00 WATA H ATOM 7522 OH2 TIP3A1241 34.502 -51.803 -18.201 1.00 0.00 WATA O ATOM 7523 H1 TIP3A1241 34.985 -52.153 -19.004 1.00 0.00 WATA H ATOM 7524 H2 TIP3A1241 33.590 -52.208 -18.158 1.00 0.00 WATA H ATOM 7525 OH2 TIP3A1242 -53.340 -25.851 -5.716 1.00 0.00 WATA O ATOM 7526 H1 TIP3A1242 -53.345 -24.851 -5.747 1.00 0.00 WATA H ATOM 7527 H2 TIP3A1242 -52.397 -26.181 -5.732 1.00 0.00 WATA H ATOM 7528 OH2 TIP3A1243 -16.181 20.012 -48.465 1.00 0.00 WATA O ATOM 7529 H1 TIP3A1243 -16.010 20.114 -49.445 1.00 0.00 WATA H ATOM 7530 H2 TIP3A1243 -15.944 20.861 -47.995 1.00 0.00 WATA H ATOM 7531 OH2 TIP3A1244 47.451 -50.546 -37.049 1.00 0.00 WATA O ATOM 7532 H1 TIP3A1244 47.857 -51.460 -37.046 1.00 0.00 WATA H ATOM 7533 H2 TIP3A1244 48.176 -49.859 -37.079 1.00 0.00 WATA H ATOM 7534 OH2 TIP3A1245 -31.428 -19.695 34.221 1.00 0.00 WATA O ATOM 7535 H1 TIP3A1245 -32.161 -19.043 34.027 1.00 0.00 WATA H ATOM 7536 H2 TIP3A1245 -31.689 -20.600 33.889 1.00 0.00 WATA H ATOM 7537 OH2 TIP3A1246 32.472 -52.682 15.615 1.00 0.00 WATA O ATOM 7538 H1 TIP3A1246 33.221 -53.345 15.603 1.00 0.00 WATA H ATOM 7539 H2 TIP3A1246 32.848 -51.755 15.623 1.00 0.00 WATA H ATOM 7540 OH2 TIP3A1247 13.390 -48.647 -34.526 1.00 0.00 WATA O ATOM 7541 H1 TIP3A1247 12.748 -48.299 -35.210 1.00 0.00 WATA H ATOM 7542 H2 TIP3A1247 13.039 -49.501 -34.144 1.00 0.00 WATA H ATOM 7543 OH2 TIP3A1248 10.186 43.658 41.936 1.00 0.00 WATA O ATOM 7544 H1 TIP3A1248 10.602 44.567 41.929 1.00 0.00 WATA H ATOM 7545 H2 TIP3A1248 10.499 43.142 41.140 1.00 0.00 WATA H ATOM 7546 OH2 TIP3A1249 -25.412 -32.838 48.473 1.00 0.00 WATA O ATOM 7547 H1 TIP3A1249 -25.440 -33.470 49.247 1.00 0.00 WATA H ATOM 7548 H2 TIP3A1249 -24.505 -32.860 48.055 1.00 0.00 WATA H ATOM 7549 OH2 TIP3A1250 1.324 33.126 11.838 1.00 0.00 WATA O ATOM 7550 H1 TIP3A1250 1.781 32.495 11.212 1.00 0.00 WATA H ATOM 7551 H2 TIP3A1250 0.742 32.610 12.466 1.00 0.00 WATA H ATOM 7552 OH2 TIP3A1251 11.053 10.256 50.857 1.00 0.00 WATA O ATOM 7553 H1 TIP3A1251 11.477 10.074 49.970 1.00 0.00 WATA H ATOM 7554 H2 TIP3A1251 11.420 11.105 51.235 1.00 0.00 WATA H ATOM 7555 OH2 TIP3A1252 -47.156 -38.333 -52.011 1.00 0.00 WATA O ATOM 7556 H1 TIP3A1252 -47.063 -39.052 -52.700 1.00 0.00 WATA H ATOM 7557 H2 TIP3A1252 -47.770 -37.622 -52.351 1.00 0.00 WATA H ATOM 7558 OH2 TIP3A1253 44.517 21.586 -27.670 1.00 0.00 WATA O ATOM 7559 H1 TIP3A1253 43.606 21.758 -28.044 1.00 0.00 WATA H ATOM 7560 H2 TIP3A1253 44.592 20.627 -27.400 1.00 0.00 WATA H ATOM 7561 OH2 TIP3A1254 37.853 -45.912 -16.341 1.00 0.00 WATA O ATOM 7562 H1 TIP3A1254 37.165 -45.200 -16.485 1.00 0.00 WATA H ATOM 7563 H2 TIP3A1254 37.399 -46.794 -16.216 1.00 0.00 WATA H ATOM 7564 OH2 TIP3A1255 -46.313 48.081 22.303 1.00 0.00 WATA O ATOM 7565 H1 TIP3A1255 -46.640 47.829 21.391 1.00 0.00 WATA H ATOM 7566 H2 TIP3A1255 -46.055 47.256 22.804 1.00 0.00 WATA H ATOM 7567 OH2 TIP3A1256 -23.041 -29.567 -8.620 1.00 0.00 WATA O ATOM 7568 H1 TIP3A1256 -23.724 -30.197 -8.249 1.00 0.00 WATA H ATOM 7569 H2 TIP3A1256 -23.171 -28.661 -8.220 1.00 0.00 WATA H ATOM 7570 OH2 TIP3A1257 22.213 12.426 -34.721 1.00 0.00 WATA O ATOM 7571 H1 TIP3A1257 21.780 13.218 -34.290 1.00 0.00 WATA H ATOM 7572 H2 TIP3A1257 23.021 12.161 -34.196 1.00 0.00 WATA H ATOM 7573 OH2 TIP3A1258 32.920 -49.129 50.741 1.00 0.00 WATA O ATOM 7574 H1 TIP3A1258 32.918 -49.900 51.378 1.00 0.00 WATA H ATOM 7575 H2 TIP3A1258 33.664 -48.504 50.975 1.00 0.00 WATA H ATOM 7576 OH2 TIP3A1259 -4.309 -32.430 -14.755 1.00 0.00 WATA O ATOM 7577 H1 TIP3A1259 -5.309 -32.404 -14.731 1.00 0.00 WATA H ATOM 7578 H2 TIP3A1259 -3.996 -33.366 -14.601 1.00 0.00 WATA H ATOM 7579 OH2 TIP3A1260 -38.047 -35.304 -52.376 1.00 0.00 WATA O ATOM 7580 H1 TIP3A1260 -38.184 -35.140 -51.399 1.00 0.00 WATA H ATOM 7581 H2 TIP3A1260 -38.854 -35.003 -52.882 1.00 0.00 WATA H ATOM 7582 OH2 TIP3A1261 27.369 -42.887 44.031 1.00 0.00 WATA O ATOM 7583 H1 TIP3A1261 26.843 -43.197 43.239 1.00 0.00 WATA H ATOM 7584 H2 TIP3A1261 28.226 -43.398 44.084 1.00 0.00 WATA H ATOM 7585 OH2 TIP3A1262 17.276 -46.864 -36.132 1.00 0.00 WATA O ATOM 7586 H1 TIP3A1262 17.313 -47.864 -36.144 1.00 0.00 WATA H ATOM 7587 H2 TIP3A1262 16.342 -46.566 -35.940 1.00 0.00 WATA H ATOM 7588 OH2 TIP3A1263 -40.190 -1.133 28.706 1.00 0.00 WATA O ATOM 7589 H1 TIP3A1263 -40.306 -1.984 28.192 1.00 0.00 WATA H ATOM 7590 H2 TIP3A1263 -39.343 -1.175 29.234 1.00 0.00 WATA H ATOM 7591 OH2 TIP3A1264 -19.819 26.819 4.247 1.00 0.00 WATA O ATOM 7592 H1 TIP3A1264 -19.010 27.359 4.479 1.00 0.00 WATA H ATOM 7593 H2 TIP3A1264 -20.614 27.420 4.181 1.00 0.00 WATA H ATOM 7594 OH2 TIP3A1265 49.220 30.354 -9.172 1.00 0.00 WATA O ATOM 7595 H1 TIP3A1265 48.481 29.951 -9.713 1.00 0.00 WATA H ATOM 7596 H2 TIP3A1265 48.907 30.495 -8.233 1.00 0.00 WATA H ATOM 7597 OH2 TIP3A1266 28.794 -13.551 -21.827 1.00 0.00 WATA O ATOM 7598 H1 TIP3A1266 29.567 -12.924 -21.929 1.00 0.00 WATA H ATOM 7599 H2 TIP3A1266 29.132 -14.463 -21.598 1.00 0.00 WATA H ATOM 7600 OH2 TIP3A1267 15.355 9.834 -20.193 1.00 0.00 WATA O ATOM 7601 H1 TIP3A1267 16.352 9.757 -20.239 1.00 0.00 WATA H ATOM 7602 H2 TIP3A1267 15.083 10.773 -20.398 1.00 0.00 WATA H ATOM 7603 OH2 TIP3A1268 12.569 36.545 -24.987 1.00 0.00 WATA O ATOM 7604 H1 TIP3A1268 12.541 35.606 -25.331 1.00 0.00 WATA H ATOM 7605 H2 TIP3A1268 12.056 36.602 -24.131 1.00 0.00 WATA H ATOM 7606 OH2 TIP3A1269 19.585 -43.263 28.036 1.00 0.00 WATA O ATOM 7607 H1 TIP3A1269 20.128 -42.450 28.246 1.00 0.00 WATA H ATOM 7608 H2 TIP3A1269 18.987 -43.074 27.258 1.00 0.00 WATA H ATOM 7609 OH2 TIP3A1270 -36.948 -36.757 -2.918 1.00 0.00 WATA O ATOM 7610 H1 TIP3A1270 -35.964 -36.931 -2.973 1.00 0.00 WATA H ATOM 7611 H2 TIP3A1270 -37.154 -36.280 -2.064 1.00 0.00 WATA H ATOM 7612 OH2 TIP3A1271 -13.504 45.470 -12.393 1.00 0.00 WATA O ATOM 7613 H1 TIP3A1271 -13.495 46.443 -12.160 1.00 0.00 WATA H ATOM 7614 H2 TIP3A1271 -14.374 45.239 -12.826 1.00 0.00 WATA H ATOM 7615 OH2 TIP3A1272 -40.537 30.188 -35.345 1.00 0.00 WATA O ATOM 7616 H1 TIP3A1272 -41.061 29.514 -35.866 1.00 0.00 WATA H ATOM 7617 H2 TIP3A1272 -39.829 29.723 -34.814 1.00 0.00 WATA H ATOM 7618 OH2 TIP3A1273 -2.160 4.401 51.271 1.00 0.00 WATA O ATOM 7619 H1 TIP3A1273 -1.428 3.888 50.822 1.00 0.00 WATA H ATOM 7620 H2 TIP3A1273 -2.874 3.769 51.571 1.00 0.00 WATA H ATOM 7621 OH2 TIP3A1274 -7.552 -9.405 36.552 1.00 0.00 WATA O ATOM 7622 H1 TIP3A1274 -7.111 -9.842 35.768 1.00 0.00 WATA H ATOM 7623 H2 TIP3A1274 -8.216 -10.034 36.955 1.00 0.00 WATA H ATOM 7624 OH2 TIP3A1275 8.852 -5.956 -40.635 1.00 0.00 WATA O ATOM 7625 H1 TIP3A1275 9.830 -5.836 -40.805 1.00 0.00 WATA H ATOM 7626 H2 TIP3A1275 8.567 -5.356 -39.888 1.00 0.00 WATA H ATOM 7627 OH2 TIP3A1276 -49.655 -25.422 -10.758 1.00 0.00 WATA O ATOM 7628 H1 TIP3A1276 -49.854 -24.533 -10.343 1.00 0.00 WATA H ATOM 7629 H2 TIP3A1276 -48.872 -25.837 -10.296 1.00 0.00 WATA H ATOM 7630 OH2 TIP3A1277 -25.691 3.789 45.694 1.00 0.00 WATA O ATOM 7631 H1 TIP3A1277 -25.941 2.874 46.011 1.00 0.00 WATA H ATOM 7632 H2 TIP3A1277 -26.471 4.206 45.228 1.00 0.00 WATA H ATOM 7633 OH2 TIP3A1278 -49.493 37.524 52.911 1.00 0.00 WATA O ATOM 7634 H1 TIP3A1278 -48.598 37.630 53.345 1.00 0.00 WATA H ATOM 7635 H2 TIP3A1278 -49.490 36.706 52.337 1.00 0.00 WATA H ATOM 7636 OH2 TIP3A1279 -21.566 40.043 -13.885 1.00 0.00 WATA O ATOM 7637 H1 TIP3A1279 -22.137 39.269 -13.611 1.00 0.00 WATA H ATOM 7638 H2 TIP3A1279 -22.109 40.882 -13.867 1.00 0.00 WATA H ATOM 7639 OH2 TIP3A1280 25.682 -23.175 -52.910 1.00 0.00 WATA O ATOM 7640 H1 TIP3A1280 25.556 -22.218 -53.175 1.00 0.00 WATA H ATOM 7641 H2 TIP3A1280 24.789 -23.609 -52.795 1.00 0.00 WATA H ATOM 7642 OH2 TIP3A1281 20.516 -11.550 34.686 1.00 0.00 WATA O ATOM 7643 H1 TIP3A1281 20.500 -12.436 35.149 1.00 0.00 WATA H ATOM 7644 H2 TIP3A1281 19.790 -10.968 35.053 1.00 0.00 WATA H ATOM 7645 OH2 TIP3A1282 16.430 -33.634 -47.729 1.00 0.00 WATA O ATOM 7646 H1 TIP3A1282 16.154 -34.463 -47.242 1.00 0.00 WATA H ATOM 7647 H2 TIP3A1282 17.258 -33.818 -48.258 1.00 0.00 WATA H ATOM 7648 OH2 TIP3A1283 -25.753 24.763 11.758 1.00 0.00 WATA O ATOM 7649 H1 TIP3A1283 -26.539 24.288 12.152 1.00 0.00 WATA H ATOM 7650 H2 TIP3A1283 -24.948 24.610 12.331 1.00 0.00 WATA H ATOM 7651 OH2 TIP3A1284 -20.632 19.392 -51.812 1.00 0.00 WATA O ATOM 7652 H1 TIP3A1284 -19.967 20.135 -51.891 1.00 0.00 WATA H ATOM 7653 H2 TIP3A1284 -21.393 19.558 -52.439 1.00 0.00 WATA H ATOM 7654 OH2 TIP3A1285 -29.934 8.947 32.906 1.00 0.00 WATA O ATOM 7655 H1 TIP3A1285 -30.740 8.926 32.314 1.00 0.00 WATA H ATOM 7656 H2 TIP3A1285 -29.112 8.801 32.357 1.00 0.00 WATA H ATOM 7657 OH2 TIP3A1286 -36.851 18.829 35.285 1.00 0.00 WATA O ATOM 7658 H1 TIP3A1286 -37.187 17.890 35.213 1.00 0.00 WATA H ATOM 7659 H2 TIP3A1286 -36.608 19.025 36.234 1.00 0.00 WATA H ATOM 7660 OH2 TIP3A1287 48.027 -47.418 -47.822 1.00 0.00 WATA O ATOM 7661 H1 TIP3A1287 47.650 -48.344 -47.795 1.00 0.00 WATA H ATOM 7662 H2 TIP3A1287 48.808 -47.394 -48.444 1.00 0.00 WATA H ATOM 7663 OH2 TIP3A1288 -34.801 -41.059 -43.954 1.00 0.00 WATA O ATOM 7664 H1 TIP3A1288 -35.748 -41.294 -43.733 1.00 0.00 WATA H ATOM 7665 H2 TIP3A1288 -34.420 -41.748 -44.570 1.00 0.00 WATA H ATOM 7666 OH2 TIP3A1289 -8.360 41.875 -5.821 1.00 0.00 WATA O ATOM 7667 H1 TIP3A1289 -8.548 42.729 -6.306 1.00 0.00 WATA H ATOM 7668 H2 TIP3A1289 -9.104 41.228 -5.985 1.00 0.00 WATA H ATOM 7669 OH2 TIP3A1290 10.336 -26.260 -39.080 1.00 0.00 WATA O ATOM 7670 H1 TIP3A1290 10.658 -27.206 -39.118 1.00 0.00 WATA H ATOM 7671 H2 TIP3A1290 9.795 -26.126 -38.250 1.00 0.00 WATA H ATOM 7672 OH2 TIP3A1291 -36.599 -17.382 21.266 1.00 0.00 WATA O ATOM 7673 H1 TIP3A1291 -35.658 -17.108 21.468 1.00 0.00 WATA H ATOM 7674 H2 TIP3A1291 -37.164 -16.567 21.146 1.00 0.00 WATA H ATOM 7675 OH2 TIP3A1292 20.215 -5.658 -23.315 1.00 0.00 WATA O ATOM 7676 H1 TIP3A1292 19.330 -5.194 -23.276 1.00 0.00 WATA H ATOM 7677 H2 TIP3A1292 20.362 -6.020 -24.235 1.00 0.00 WATA H ATOM 7678 OH2 TIP3A1293 20.125 38.461 9.654 1.00 0.00 WATA O ATOM 7679 H1 TIP3A1293 19.126 38.446 9.612 1.00 0.00 WATA H ATOM 7680 H2 TIP3A1293 20.459 37.572 9.965 1.00 0.00 WATA H ATOM 7681 OH2 TIP3A1294 3.962 13.116 -29.288 1.00 0.00 WATA O ATOM 7682 H1 TIP3A1294 3.589 13.849 -28.718 1.00 0.00 WATA H ATOM 7683 H2 TIP3A1294 3.319 12.351 -29.311 1.00 0.00 WATA H ATOM 7684 OH2 TIP3A1295 -11.571 -41.547 7.202 1.00 0.00 WATA O ATOM 7685 H1 TIP3A1295 -11.767 -42.509 7.393 1.00 0.00 WATA H ATOM 7686 H2 TIP3A1295 -10.602 -41.441 6.982 1.00 0.00 WATA H ATOM 7687 OH2 TIP3A1296 -18.066 6.926 -41.389 1.00 0.00 WATA O ATOM 7688 H1 TIP3A1296 -18.932 7.261 -41.018 1.00 0.00 WATA H ATOM 7689 H2 TIP3A1296 -17.461 7.700 -41.575 1.00 0.00 WATA H ATOM 7690 OH2 TIP3A1297 21.784 28.636 -23.486 1.00 0.00 WATA O ATOM 7691 H1 TIP3A1297 21.796 27.641 -23.383 1.00 0.00 WATA H ATOM 7692 H2 TIP3A1297 21.181 29.036 -22.797 1.00 0.00 WATA H ATOM 7693 OH2 TIP3A1298 10.053 30.649 43.081 1.00 0.00 WATA O ATOM 7694 H1 TIP3A1298 10.805 30.158 43.521 1.00 0.00 WATA H ATOM 7695 H2 TIP3A1298 9.827 31.462 43.616 1.00 0.00 WATA H ATOM 7696 OH2 TIP3A1299 -47.574 51.085 13.669 1.00 0.00 WATA O ATOM 7697 H1 TIP3A1299 -47.197 50.205 13.377 1.00 0.00 WATA H ATOM 7698 H2 TIP3A1299 -48.156 50.950 14.470 1.00 0.00 WATA H ATOM 7699 OH2 TIP3A1300 18.267 37.921 14.414 1.00 0.00 WATA O ATOM 7700 H1 TIP3A1300 18.325 37.227 13.696 1.00 0.00 WATA H ATOM 7701 H2 TIP3A1300 17.558 37.664 15.070 1.00 0.00 WATA H ATOM 7702 OH2 TIP3A1301 -17.339 10.608 37.062 1.00 0.00 WATA O ATOM 7703 H1 TIP3A1301 -16.633 10.973 37.670 1.00 0.00 WATA H ATOM 7704 H2 TIP3A1301 -17.137 10.873 36.120 1.00 0.00 WATA H ATOM 7705 OH2 TIP3A1302 -46.338 10.469 -26.634 1.00 0.00 WATA O ATOM 7706 H1 TIP3A1302 -47.333 10.554 -26.681 1.00 0.00 WATA H ATOM 7707 H2 TIP3A1302 -46.019 9.869 -27.366 1.00 0.00 WATA H ATOM 7708 OH2 TIP3A1303 -15.714 -9.864 46.210 1.00 0.00 WATA O ATOM 7709 H1 TIP3A1303 -15.129 -9.330 45.600 1.00 0.00 WATA H ATOM 7710 H2 TIP3A1303 -15.832 -9.373 47.073 1.00 0.00 WATA H ATOM 7711 OH2 TIP3A1304 -53.344 8.732 31.781 1.00 0.00 WATA O ATOM 7712 H1 TIP3A1304 -53.261 8.410 30.837 1.00 0.00 WATA H ATOM 7713 H2 TIP3A1304 -52.605 9.374 31.980 1.00 0.00 WATA H ATOM 7714 OH2 TIP3A1305 -11.029 51.688 37.488 1.00 0.00 WATA O ATOM 7715 H1 TIP3A1305 -11.679 51.924 36.765 1.00 0.00 WATA H ATOM 7716 H2 TIP3A1305 -10.752 50.733 37.388 1.00 0.00 WATA H ATOM 7717 OH2 TIP3A1306 -41.677 15.583 26.131 1.00 0.00 WATA O ATOM 7718 H1 TIP3A1306 -41.183 14.713 26.136 1.00 0.00 WATA H ATOM 7719 H2 TIP3A1306 -42.660 15.408 26.159 1.00 0.00 WATA H ATOM 7720 OH2 TIP3A1307 -2.437 -44.803 5.977 1.00 0.00 WATA O ATOM 7721 H1 TIP3A1307 -1.706 -44.154 5.768 1.00 0.00 WATA H ATOM 7722 H2 TIP3A1307 -2.098 -45.492 6.617 1.00 0.00 WATA H ATOM 7723 OH2 TIP3A1308 15.974 -11.913 32.904 1.00 0.00 WATA O ATOM 7724 H1 TIP3A1308 16.493 -11.158 32.502 1.00 0.00 WATA H ATOM 7725 H2 TIP3A1308 15.383 -12.319 32.209 1.00 0.00 WATA H ATOM 7726 OH2 TIP3A1309 -30.294 -35.024 -24.350 1.00 0.00 WATA O ATOM 7727 H1 TIP3A1309 -31.117 -34.632 -24.761 1.00 0.00 WATA H ATOM 7728 H2 TIP3A1309 -30.545 -35.807 -23.782 1.00 0.00 WATA H ATOM 7729 OH2 TIP3A1310 30.884 39.196 -35.347 1.00 0.00 WATA O ATOM 7730 H1 TIP3A1310 30.921 39.734 -36.189 1.00 0.00 WATA H ATOM 7731 H2 TIP3A1310 30.436 39.730 -34.629 1.00 0.00 WATA H ATOM 7732 OH2 TIP3A1311 -37.359 5.110 39.001 1.00 0.00 WATA O ATOM 7733 H1 TIP3A1311 -36.404 4.954 38.748 1.00 0.00 WATA H ATOM 7734 H2 TIP3A1311 -37.907 4.315 38.742 1.00 0.00 WATA H ATOM 7735 OH2 TIP3A1312 -37.874 28.437 -46.094 1.00 0.00 WATA O ATOM 7736 H1 TIP3A1312 -37.174 27.724 -46.135 1.00 0.00 WATA H ATOM 7737 H2 TIP3A1312 -38.532 28.217 -45.375 1.00 0.00 WATA H ATOM 7738 OH2 TIP3A1313 10.814 -8.112 37.675 1.00 0.00 WATA O ATOM 7739 H1 TIP3A1313 10.185 -8.429 36.965 1.00 0.00 WATA H ATOM 7740 H2 TIP3A1313 11.512 -8.809 37.838 1.00 0.00 WATA H ATOM 7741 OH2 TIP3A1314 -27.803 -44.644 29.430 1.00 0.00 WATA O ATOM 7742 H1 TIP3A1314 -27.590 -44.619 28.453 1.00 0.00 WATA H ATOM 7743 H2 TIP3A1314 -28.794 -44.610 29.556 1.00 0.00 WATA H ATOM 7744 OH2 TIP3A1315 11.408 10.147 -49.974 1.00 0.00 WATA O ATOM 7745 H1 TIP3A1315 12.055 10.326 -49.233 1.00 0.00 WATA H ATOM 7746 H2 TIP3A1315 11.903 9.821 -50.778 1.00 0.00 WATA H ATOM 7747 OH2 TIP3A1316 49.000 6.965 42.863 1.00 0.00 WATA O ATOM 7748 H1 TIP3A1316 48.778 6.168 42.301 1.00 0.00 WATA H ATOM 7749 H2 TIP3A1316 49.941 6.890 43.191 1.00 0.00 WATA H ATOM 7750 OH2 TIP3A1317 -52.174 28.179 0.846 1.00 0.00 WATA O ATOM 7751 H1 TIP3A1317 -53.073 28.606 0.951 1.00 0.00 WATA H ATOM 7752 H2 TIP3A1317 -52.257 27.192 0.973 1.00 0.00 WATA H ATOM 7753 OH2 TIP3A1318 -37.290 -6.618 -35.601 1.00 0.00 WATA O ATOM 7754 H1 TIP3A1318 -37.516 -7.187 -36.392 1.00 0.00 WATA H ATOM 7755 H2 TIP3A1318 -38.096 -6.525 -35.017 1.00 0.00 WATA H ATOM 7756 OH2 TIP3A1319 10.384 29.766 -46.519 1.00 0.00 WATA O ATOM 7757 H1 TIP3A1319 10.243 28.776 -46.530 1.00 0.00 WATA H ATOM 7758 H2 TIP3A1319 11.364 29.963 -46.511 1.00 0.00 WATA H ATOM 7759 OH2 TIP3A1320 -4.204 16.006 30.741 1.00 0.00 WATA O ATOM 7760 H1 TIP3A1320 -4.229 15.333 31.481 1.00 0.00 WATA H ATOM 7761 H2 TIP3A1320 -4.867 16.730 30.927 1.00 0.00 WATA H ATOM 7762 OH2 TIP3A1321 -33.278 9.675 -31.839 1.00 0.00 WATA O ATOM 7763 H1 TIP3A1321 -32.567 9.067 -31.485 1.00 0.00 WATA H ATOM 7764 H2 TIP3A1321 -33.554 9.371 -32.750 1.00 0.00 WATA H ATOM 7765 OH2 TIP3A1322 40.332 -43.655 -40.979 1.00 0.00 WATA O ATOM 7766 H1 TIP3A1322 39.588 -44.274 -40.725 1.00 0.00 WATA H ATOM 7767 H2 TIP3A1322 39.966 -42.735 -41.121 1.00 0.00 WATA H ATOM 7768 OH2 TIP3A1323 41.418 34.125 -30.022 1.00 0.00 WATA O ATOM 7769 H1 TIP3A1323 41.955 34.947 -30.212 1.00 0.00 WATA H ATOM 7770 H2 TIP3A1323 41.830 33.625 -29.261 1.00 0.00 WATA H ATOM 7771 OH2 TIP3A1324 -17.955 51.900 -43.257 1.00 0.00 WATA O ATOM 7772 H1 TIP3A1324 -17.922 50.947 -43.560 1.00 0.00 WATA H ATOM 7773 H2 TIP3A1324 -18.893 52.238 -43.318 1.00 0.00 WATA H ATOM 7774 OH2 TIP3A1325 -3.702 -49.841 -34.559 1.00 0.00 WATA O ATOM 7775 H1 TIP3A1325 -2.888 -49.445 -34.984 1.00 0.00 WATA H ATOM 7776 H2 TIP3A1325 -4.445 -49.172 -34.573 1.00 0.00 WATA H ATOM 7777 OH2 TIP3A1326 -52.431 -20.838 -29.105 1.00 0.00 WATA O ATOM 7778 H1 TIP3A1326 -53.304 -20.362 -28.991 1.00 0.00 WATA H ATOM 7779 H2 TIP3A1326 -52.590 -21.824 -29.130 1.00 0.00 WATA H ATOM 7780 OH2 TIP3A1327 9.091 -41.069 48.946 1.00 0.00 WATA O ATOM 7781 H1 TIP3A1327 9.028 -41.947 49.422 1.00 0.00 WATA H ATOM 7782 H2 TIP3A1327 10.020 -40.943 48.602 1.00 0.00 WATA H ATOM 7783 OH2 TIP3A1328 -19.222 15.425 42.806 1.00 0.00 WATA O ATOM 7784 H1 TIP3A1328 -20.014 14.989 42.379 1.00 0.00 WATA H ATOM 7785 H2 TIP3A1328 -19.096 16.339 42.422 1.00 0.00 WATA H ATOM 7786 OH2 TIP3A1329 -41.680 0.140 32.568 1.00 0.00 WATA O ATOM 7787 H1 TIP3A1329 -42.354 0.867 32.439 1.00 0.00 WATA H ATOM 7788 H2 TIP3A1329 -42.080 -0.737 32.303 1.00 0.00 WATA H ATOM 7789 OH2 TIP3A1330 5.576 -31.005 -39.274 1.00 0.00 WATA O ATOM 7790 H1 TIP3A1330 6.437 -31.443 -39.535 1.00 0.00 WATA H ATOM 7791 H2 TIP3A1330 5.745 -30.348 -38.541 1.00 0.00 WATA H ATOM 7792 OH2 TIP3A1331 -24.856 -27.732 -10.829 1.00 0.00 WATA O ATOM 7793 H1 TIP3A1331 -25.417 -26.913 -10.951 1.00 0.00 WATA H ATOM 7794 H2 TIP3A1331 -24.353 -27.667 -9.968 1.00 0.00 WATA H ATOM 7795 OH2 TIP3A1332 -13.885 -42.050 -19.225 1.00 0.00 WATA O ATOM 7796 H1 TIP3A1332 -13.183 -41.600 -18.674 1.00 0.00 WATA H ATOM 7797 H2 TIP3A1332 -14.760 -42.017 -18.742 1.00 0.00 WATA H ATOM 7798 OH2 TIP3A1333 -43.511 -34.615 -26.263 1.00 0.00 WATA O ATOM 7799 H1 TIP3A1333 -42.775 -35.274 -26.108 1.00 0.00 WATA H ATOM 7800 H2 TIP3A1333 -43.233 -33.718 -25.919 1.00 0.00 WATA H ATOM 7801 OH2 TIP3A1334 35.939 21.473 29.676 1.00 0.00 WATA O ATOM 7802 H1 TIP3A1334 36.732 21.350 29.079 1.00 0.00 WATA H ATOM 7803 H2 TIP3A1334 36.087 20.982 30.533 1.00 0.00 WATA H ATOM 7804 OH2 TIP3A1335 43.063 13.225 -44.202 1.00 0.00 WATA O ATOM 7805 H1 TIP3A1335 43.701 13.636 -43.550 1.00 0.00 WATA H ATOM 7806 H2 TIP3A1335 43.464 12.393 -44.582 1.00 0.00 WATA H ATOM 7807 OH2 TIP3A1336 -24.801 12.192 -28.221 1.00 0.00 WATA O ATOM 7808 H1 TIP3A1336 -24.166 11.659 -28.780 1.00 0.00 WATA H ATOM 7809 H2 TIP3A1336 -25.060 13.023 -28.711 1.00 0.00 WATA H ATOM 7810 OH2 TIP3A1337 -46.472 47.245 33.247 1.00 0.00 WATA O ATOM 7811 H1 TIP3A1337 -47.377 47.062 33.632 1.00 0.00 WATA H ATOM 7812 H2 TIP3A1337 -46.099 48.078 33.653 1.00 0.00 WATA H ATOM 7813 OH2 TIP3A1338 -45.073 -34.983 -30.122 1.00 0.00 WATA O ATOM 7814 H1 TIP3A1338 -45.374 -35.400 -29.264 1.00 0.00 WATA H ATOM 7815 H2 TIP3A1338 -44.199 -35.381 -30.399 1.00 0.00 WATA H ATOM 7816 OH2 TIP3A1339 -50.165 47.312 -41.852 1.00 0.00 WATA O ATOM 7817 H1 TIP3A1339 -51.015 46.814 -41.682 1.00 0.00 WATA H ATOM 7818 H2 TIP3A1339 -50.376 48.218 -42.216 1.00 0.00 WATA H ATOM 7819 OH2 TIP3A1340 -53.345 -17.801 6.150 1.00 0.00 WATA O ATOM 7820 H1 TIP3A1340 -52.467 -18.279 6.126 1.00 0.00 WATA H ATOM 7821 H2 TIP3A1340 -53.188 -16.815 6.142 1.00 0.00 WATA H ATOM 7822 OH2 TIP3A1341 -26.665 -20.472 1.926 1.00 0.00 WATA O ATOM 7823 H1 TIP3A1341 -26.046 -19.848 1.448 1.00 0.00 WATA H ATOM 7824 H2 TIP3A1341 -27.376 -19.946 2.390 1.00 0.00 WATA H ATOM 7825 OH2 TIP3A1342 10.539 -22.578 -25.022 1.00 0.00 WATA O ATOM 7826 H1 TIP3A1342 11.050 -21.748 -24.797 1.00 0.00 WATA H ATOM 7827 H2 TIP3A1342 11.176 -23.298 -25.296 1.00 0.00 WATA H ATOM 7828 OH2 TIP3A1343 -30.050 -12.596 -40.600 1.00 0.00 WATA O ATOM 7829 H1 TIP3A1343 -30.377 -12.523 -41.543 1.00 0.00 WATA H ATOM 7830 H2 TIP3A1343 -30.291 -11.766 -40.098 1.00 0.00 WATA H ATOM 7831 OH2 TIP3A1344 44.042 -3.201 -25.862 1.00 0.00 WATA O ATOM 7832 H1 TIP3A1344 43.887 -4.004 -26.438 1.00 0.00 WATA H ATOM 7833 H2 TIP3A1344 43.166 -2.779 -25.635 1.00 0.00 WATA H ATOM 7834 OH2 TIP3A1345 -15.616 43.476 -44.143 1.00 0.00 WATA O ATOM 7835 H1 TIP3A1345 -15.528 42.516 -43.879 1.00 0.00 WATA H ATOM 7836 H2 TIP3A1345 -15.090 44.045 -43.512 1.00 0.00 WATA H ATOM 7837 OH2 TIP3A1346 -20.671 44.658 51.071 1.00 0.00 WATA O ATOM 7838 H1 TIP3A1346 -21.609 44.967 51.230 1.00 0.00 WATA H ATOM 7839 H2 TIP3A1346 -20.301 44.268 51.913 1.00 0.00 WATA H ATOM 7840 OH2 TIP3A1347 -46.111 -7.571 -36.831 1.00 0.00 WATA O ATOM 7841 H1 TIP3A1347 -46.603 -8.409 -36.596 1.00 0.00 WATA H ATOM 7842 H2 TIP3A1347 -46.649 -6.777 -36.550 1.00 0.00 WATA H ATOM 7843 OH2 TIP3A1348 6.397 38.155 -3.876 1.00 0.00 WATA O ATOM 7844 H1 TIP3A1348 5.928 37.273 -3.929 1.00 0.00 WATA H ATOM 7845 H2 TIP3A1348 5.744 38.892 -4.048 1.00 0.00 WATA H ATOM 7846 OH2 TIP3A1349 0.910 -46.510 22.899 1.00 0.00 WATA O ATOM 7847 H1 TIP3A1349 0.359 -45.706 22.676 1.00 0.00 WATA H ATOM 7848 H2 TIP3A1349 1.616 -46.259 23.560 1.00 0.00 WATA H ATOM 7849 OH2 TIP3A1350 -21.670 -51.387 -11.415 1.00 0.00 WATA O ATOM 7850 H1 TIP3A1350 -21.494 -51.420 -12.399 1.00 0.00 WATA H ATOM 7851 H2 TIP3A1350 -21.228 -50.581 -11.024 1.00 0.00 WATA H ATOM 7852 OH2 TIP3A1351 21.737 12.669 -43.559 1.00 0.00 WATA O ATOM 7853 H1 TIP3A1351 21.386 12.766 -42.627 1.00 0.00 WATA H ATOM 7854 H2 TIP3A1351 21.888 11.702 -43.760 1.00 0.00 WATA H ATOM 7855 OH2 TIP3A1352 -12.233 47.848 -28.880 1.00 0.00 WATA O ATOM 7856 H1 TIP3A1352 -12.420 47.007 -29.388 1.00 0.00 WATA H ATOM 7857 H2 TIP3A1352 -11.660 48.451 -29.433 1.00 0.00 WATA H ATOM 7858 OH2 TIP3A1353 8.155 48.987 25.582 1.00 0.00 WATA O ATOM 7859 H1 TIP3A1353 8.525 49.448 26.389 1.00 0.00 WATA H ATOM 7860 H2 TIP3A1353 8.871 48.900 24.890 1.00 0.00 WATA H ATOM 7861 OH2 TIP3A1354 3.054 -18.758 45.797 1.00 0.00 WATA O ATOM 7862 H1 TIP3A1354 2.561 -18.935 44.944 1.00 0.00 WATA H ATOM 7863 H2 TIP3A1354 4.034 -18.697 45.609 1.00 0.00 WATA H ATOM 7864 OH2 TIP3A1355 -44.800 -28.503 -3.151 1.00 0.00 WATA O ATOM 7865 H1 TIP3A1355 -45.514 -28.895 -2.570 1.00 0.00 WATA H ATOM 7866 H2 TIP3A1355 -45.219 -28.087 -3.958 1.00 0.00 WATA H ATOM 7867 OH2 TIP3A1356 30.423 52.750 -0.730 1.00 0.00 WATA O ATOM 7868 H1 TIP3A1356 30.011 53.032 -1.597 1.00 0.00 WATA H ATOM 7869 H2 TIP3A1356 30.096 53.345 0.003 1.00 0.00 WATA H ATOM 7870 OH2 TIP3A1357 44.863 -51.988 -30.402 1.00 0.00 WATA O ATOM 7871 H1 TIP3A1357 44.626 -51.018 -30.342 1.00 0.00 WATA H ATOM 7872 H2 TIP3A1357 44.030 -52.529 -30.511 1.00 0.00 WATA H ATOM 7873 OH2 TIP3A1358 -53.125 -22.744 39.121 1.00 0.00 WATA O ATOM 7874 H1 TIP3A1358 -53.276 -23.713 39.316 1.00 0.00 WATA H ATOM 7875 H2 TIP3A1358 -52.156 -22.528 39.237 1.00 0.00 WATA H ATOM 7876 OH2 TIP3A1359 -8.591 -24.953 -33.437 1.00 0.00 WATA O ATOM 7877 H1 TIP3A1359 -9.161 -24.134 -33.511 1.00 0.00 WATA H ATOM 7878 H2 TIP3A1359 -7.631 -24.703 -33.564 1.00 0.00 WATA H ATOM 7879 OH2 TIP3A1360 -7.215 -51.402 33.751 1.00 0.00 WATA O ATOM 7880 H1 TIP3A1360 -8.046 -50.861 33.619 1.00 0.00 WATA H ATOM 7881 H2 TIP3A1360 -6.427 -50.792 33.817 1.00 0.00 WATA H ATOM 7882 OH2 TIP3A1361 -2.157 16.796 37.093 1.00 0.00 WATA O ATOM 7883 H1 TIP3A1361 -2.935 17.385 37.312 1.00 0.00 WATA H ATOM 7884 H2 TIP3A1361 -1.359 17.360 36.883 1.00 0.00 WATA H ATOM 7885 OH2 TIP3A1362 -17.564 -13.189 -15.468 1.00 0.00 WATA O ATOM 7886 H1 TIP3A1362 -18.207 -13.876 -15.807 1.00 0.00 WATA H ATOM 7887 H2 TIP3A1362 -17.077 -12.779 -16.238 1.00 0.00 WATA H ATOM 7888 OH2 TIP3A1363 -41.207 -14.526 43.327 1.00 0.00 WATA O ATOM 7889 H1 TIP3A1363 -41.442 -13.564 43.465 1.00 0.00 WATA H ATOM 7890 H2 TIP3A1363 -41.182 -14.994 44.210 1.00 0.00 WATA H ATOM 7891 OH2 TIP3A1364 -42.100 43.294 -43.393 1.00 0.00 WATA O ATOM 7892 H1 TIP3A1364 -41.208 43.601 -43.062 1.00 0.00 WATA H ATOM 7893 H2 TIP3A1364 -41.994 42.434 -43.890 1.00 0.00 WATA H ATOM 7894 OH2 TIP3A1365 45.554 22.454 3.979 1.00 0.00 WATA O ATOM 7895 H1 TIP3A1365 44.926 22.927 3.362 1.00 0.00 WATA H ATOM 7896 H2 TIP3A1365 45.052 21.772 4.509 1.00 0.00 WATA H ATOM 7897 OH2 TIP3A1366 30.870 -26.776 -13.515 1.00 0.00 WATA O ATOM 7898 H1 TIP3A1366 30.384 -26.556 -14.361 1.00 0.00 WATA H ATOM 7899 H2 TIP3A1366 31.510 -27.525 -13.683 1.00 0.00 WATA H ATOM 7900 OH2 TIP3A1367 47.272 7.062 -53.327 1.00 0.00 WATA O ATOM 7901 H1 TIP3A1367 46.320 6.755 -53.344 1.00 0.00 WATA H ATOM 7902 H2 TIP3A1367 47.856 6.321 -52.998 1.00 0.00 WATA H ATOM 7903 OH2 TIP3A1368 5.518 -50.051 -3.222 1.00 0.00 WATA O ATOM 7904 H1 TIP3A1368 6.194 -49.334 -3.053 1.00 0.00 WATA H ATOM 7905 H2 TIP3A1368 5.919 -50.943 -3.014 1.00 0.00 WATA H ATOM 7906 OH2 TIP3A1369 33.637 -19.277 31.119 1.00 0.00 WATA O ATOM 7907 H1 TIP3A1369 32.672 -19.032 31.021 1.00 0.00 WATA H ATOM 7908 H2 TIP3A1369 33.739 -20.268 31.043 1.00 0.00 WATA H ATOM 7909 OH2 TIP3A1370 -35.832 -35.833 46.723 1.00 0.00 WATA O ATOM 7910 H1 TIP3A1370 -35.006 -36.269 46.365 1.00 0.00 WATA H ATOM 7911 H2 TIP3A1370 -36.205 -36.384 47.469 1.00 0.00 WATA H ATOM 7912 OH2 TIP3A1371 -22.670 40.930 -53.186 1.00 0.00 WATA O ATOM 7913 H1 TIP3A1371 -23.502 40.425 -52.956 1.00 0.00 WATA H ATOM 7914 H2 TIP3A1371 -22.183 41.171 -52.347 1.00 0.00 WATA H ATOM 7915 OH2 TIP3A1372 33.240 5.439 4.548 1.00 0.00 WATA O ATOM 7916 H1 TIP3A1372 33.087 4.745 3.845 1.00 0.00 WATA H ATOM 7917 H2 TIP3A1372 32.403 5.566 5.080 1.00 0.00 WATA H ATOM 7918 OH2 TIP3A1373 4.696 19.563 -35.420 1.00 0.00 WATA O ATOM 7919 H1 TIP3A1373 5.461 19.067 -35.831 1.00 0.00 WATA H ATOM 7920 H2 TIP3A1373 4.244 18.980 -34.746 1.00 0.00 WATA H ATOM 7921 OH2 TIP3A1374 -36.522 8.786 -0.212 1.00 0.00 WATA O ATOM 7922 H1 TIP3A1374 -35.758 8.164 -0.045 1.00 0.00 WATA H ATOM 7923 H2 TIP3A1374 -36.177 9.719 -0.312 1.00 0.00 WATA H ATOM 7924 OH2 TIP3A1375 -19.722 45.642 -21.301 1.00 0.00 WATA O ATOM 7925 H1 TIP3A1375 -19.507 46.367 -20.646 1.00 0.00 WATA H ATOM 7926 H2 TIP3A1375 -19.009 45.603 -22.000 1.00 0.00 WATA H ATOM 7927 OH2 TIP3A1376 43.156 -8.513 49.773 1.00 0.00 WATA O ATOM 7928 H1 TIP3A1376 43.461 -7.625 50.119 1.00 0.00 WATA H ATOM 7929 H2 TIP3A1376 43.872 -8.912 49.202 1.00 0.00 WATA H ATOM 7930 OH2 TIP3A1377 29.609 -13.778 46.104 1.00 0.00 WATA O ATOM 7931 H1 TIP3A1377 30.331 -14.386 45.775 1.00 0.00 WATA H ATOM 7932 H2 TIP3A1377 28.826 -14.322 46.404 1.00 0.00 WATA H ATOM 7933 OH2 TIP3A1378 42.969 14.685 -23.371 1.00 0.00 WATA O ATOM 7934 H1 TIP3A1378 43.731 14.045 -23.267 1.00 0.00 WATA H ATOM 7935 H2 TIP3A1378 43.324 15.612 -23.482 1.00 0.00 WATA H ATOM 7936 OH2 TIP3A1379 30.120 -47.274 9.356 1.00 0.00 WATA O ATOM 7937 H1 TIP3A1379 30.263 -47.679 10.259 1.00 0.00 WATA H ATOM 7938 H2 TIP3A1379 29.141 -47.153 9.195 1.00 0.00 WATA H ATOM 7939 OH2 TIP3A1380 -24.018 51.693 37.999 1.00 0.00 WATA O ATOM 7940 H1 TIP3A1380 -24.360 52.020 38.879 1.00 0.00 WATA H ATOM 7941 H2 TIP3A1380 -23.026 51.578 38.048 1.00 0.00 WATA H ATOM 7942 OH2 TIP3A1381 8.129 46.297 37.538 1.00 0.00 WATA O ATOM 7943 H1 TIP3A1381 9.034 46.009 37.853 1.00 0.00 WATA H ATOM 7944 H2 TIP3A1381 7.454 45.601 37.782 1.00 0.00 WATA H ATOM 7945 OH2 TIP3A1382 -8.402 44.193 34.505 1.00 0.00 WATA O ATOM 7946 H1 TIP3A1382 -8.983 43.400 34.691 1.00 0.00 WATA H ATOM 7947 H2 TIP3A1382 -8.395 44.378 33.523 1.00 0.00 WATA H ATOM 7948 OH2 TIP3A1383 -33.609 -53.159 -0.174 1.00 0.00 WATA O ATOM 7949 H1 TIP3A1383 -33.699 -52.660 -1.036 1.00 0.00 WATA H ATOM 7950 H2 TIP3A1383 -34.011 -52.622 0.566 1.00 0.00 WATA H ATOM 7951 OH2 TIP3A1384 -47.718 -37.511 36.770 1.00 0.00 WATA O ATOM 7952 H1 TIP3A1384 -47.984 -36.558 36.622 1.00 0.00 WATA H ATOM 7953 H2 TIP3A1384 -48.530 -38.093 36.731 1.00 0.00 WATA H ATOM 7954 OH2 TIP3A1385 -22.538 0.564 -25.810 1.00 0.00 WATA O ATOM 7955 H1 TIP3A1385 -22.833 1.519 -25.835 1.00 0.00 WATA H ATOM 7956 H2 TIP3A1385 -21.539 0.523 -25.805 1.00 0.00 WATA H ATOM 7957 OH2 TIP3A1386 -30.084 -49.329 32.801 1.00 0.00 WATA O ATOM 7958 H1 TIP3A1386 -29.362 -49.607 32.167 1.00 0.00 WATA H ATOM 7959 H2 TIP3A1386 -30.107 -49.958 33.577 1.00 0.00 WATA H ATOM 7960 OH2 TIP3A1387 30.247 -0.351 1.138 1.00 0.00 WATA O ATOM 7961 H1 TIP3A1387 30.952 -0.040 0.501 1.00 0.00 WATA H ATOM 7962 H2 TIP3A1387 29.828 0.438 1.584 1.00 0.00 WATA H ATOM 7963 OH2 TIP3A1388 41.066 17.530 9.170 1.00 0.00 WATA O ATOM 7964 H1 TIP3A1388 41.030 18.173 9.936 1.00 0.00 WATA H ATOM 7965 H2 TIP3A1388 42.016 17.275 8.993 1.00 0.00 WATA H ATOM 7966 OH2 TIP3A1389 -3.229 -24.201 -12.333 1.00 0.00 WATA O ATOM 7967 H1 TIP3A1389 -2.845 -24.013 -13.238 1.00 0.00 WATA H ATOM 7968 H2 TIP3A1389 -3.843 -23.458 -12.070 1.00 0.00 WATA H ATOM 7969 OH2 TIP3A1390 37.548 -39.098 23.377 1.00 0.00 WATA O ATOM 7970 H1 TIP3A1390 38.064 -38.429 23.913 1.00 0.00 WATA H ATOM 7971 H2 TIP3A1390 37.266 -38.687 22.511 1.00 0.00 WATA H ATOM 7972 OH2 TIP3A1391 12.715 39.280 45.032 1.00 0.00 WATA O ATOM 7973 H1 TIP3A1391 12.020 38.598 45.263 1.00 0.00 WATA H ATOM 7974 H2 TIP3A1391 13.331 38.907 44.340 1.00 0.00 WATA H ATOM 7975 OH2 TIP3A1392 -19.289 -33.655 -38.333 1.00 0.00 WATA O ATOM 7976 H1 TIP3A1392 -19.017 -32.806 -38.786 1.00 0.00 WATA H ATOM 7977 H2 TIP3A1392 -19.810 -33.442 -37.508 1.00 0.00 WATA H ATOM 7978 OH2 TIP3A1393 -12.131 -45.080 7.219 1.00 0.00 WATA O ATOM 7979 H1 TIP3A1393 -12.546 -45.874 7.664 1.00 0.00 WATA H ATOM 7980 H2 TIP3A1393 -11.487 -44.644 7.847 1.00 0.00 WATA H ATOM 7981 OH2 TIP3A1394 -39.943 28.516 26.261 1.00 0.00 WATA O ATOM 7982 H1 TIP3A1394 -40.886 28.208 26.129 1.00 0.00 WATA H ATOM 7983 H2 TIP3A1394 -39.317 27.863 25.836 1.00 0.00 WATA H ATOM 7984 OH2 TIP3A1395 -32.778 -35.122 -51.121 1.00 0.00 WATA O ATOM 7985 H1 TIP3A1395 -31.813 -35.248 -50.891 1.00 0.00 WATA H ATOM 7986 H2 TIP3A1395 -32.994 -34.147 -51.134 1.00 0.00 WATA H ATOM 7987 OH2 TIP3A1396 41.501 21.269 -8.063 1.00 0.00 WATA O ATOM 7988 H1 TIP3A1396 42.433 21.631 -8.049 1.00 0.00 WATA H ATOM 7989 H2 TIP3A1396 41.531 20.270 -8.048 1.00 0.00 WATA H ATOM 7990 OH2 TIP3A1397 36.775 -17.440 25.219 1.00 0.00 WATA O ATOM 7991 H1 TIP3A1397 35.929 -17.833 24.857 1.00 0.00 WATA H ATOM 7992 H2 TIP3A1397 37.462 -18.159 25.318 1.00 0.00 WATA H ATOM 7993 OH2 TIP3A1398 -38.552 10.110 -34.964 1.00 0.00 WATA O ATOM 7994 H1 TIP3A1398 -39.548 10.089 -34.876 1.00 0.00 WATA H ATOM 7995 H2 TIP3A1398 -38.216 9.195 -35.183 1.00 0.00 WATA H ATOM 7996 OH2 TIP3A1399 -40.356 -45.478 14.139 1.00 0.00 WATA O ATOM 7997 H1 TIP3A1399 -39.376 -45.502 13.941 1.00 0.00 WATA H ATOM 7998 H2 TIP3A1399 -40.720 -46.408 14.134 1.00 0.00 WATA H ATOM 7999 OH2 TIP3A1400 43.789 -20.879 15.616 1.00 0.00 WATA O ATOM 8000 H1 TIP3A1400 44.278 -21.695 15.306 1.00 0.00 WATA H ATOM 8001 H2 TIP3A1400 43.044 -21.148 16.225 1.00 0.00 WATA H ATOM 8002 OH2 TIP3A1401 32.827 12.319 -51.443 1.00 0.00 WATA O ATOM 8003 H1 TIP3A1401 32.891 12.088 -52.414 1.00 0.00 WATA H ATOM 8004 H2 TIP3A1401 32.171 11.709 -50.998 1.00 0.00 WATA H ATOM 8005 OH2 TIP3A1402 30.913 15.493 -44.430 1.00 0.00 WATA O ATOM 8006 H1 TIP3A1402 31.566 14.754 -44.258 1.00 0.00 WATA H ATOM 8007 H2 TIP3A1402 31.396 16.368 -44.441 1.00 0.00 WATA H ATOM 8008 OH2 TIP3A1403 33.157 -4.924 -33.597 1.00 0.00 WATA O ATOM 8009 H1 TIP3A1403 33.024 -5.914 -33.657 1.00 0.00 WATA H ATOM 8010 H2 TIP3A1403 33.196 -4.650 -32.637 1.00 0.00 WATA H ATOM 8011 OH2 TIP3A1404 38.037 -51.049 45.519 1.00 0.00 WATA O ATOM 8012 H1 TIP3A1404 38.924 -50.845 45.104 1.00 0.00 WATA H ATOM 8013 H2 TIP3A1404 37.509 -50.205 45.610 1.00 0.00 WATA H ATOM 8014 OH2 TIP3A1405 23.779 50.863 47.667 1.00 0.00 WATA O ATOM 8015 H1 TIP3A1405 23.323 51.750 47.596 1.00 0.00 WATA H ATOM 8016 H2 TIP3A1405 23.124 50.134 47.474 1.00 0.00 WATA H ATOM 8017 OH2 TIP3A1406 22.786 9.378 -28.891 1.00 0.00 WATA O ATOM 8018 H1 TIP3A1406 22.484 8.982 -29.759 1.00 0.00 WATA H ATOM 8019 H2 TIP3A1406 23.772 9.536 -28.922 1.00 0.00 WATA H ATOM 8020 OH2 TIP3A1407 8.184 2.329 -41.789 1.00 0.00 WATA O ATOM 8021 H1 TIP3A1407 8.288 3.318 -41.896 1.00 0.00 WATA H ATOM 8022 H2 TIP3A1407 8.372 1.877 -42.660 1.00 0.00 WATA H ATOM 8023 OH2 TIP3A1408 -33.014 -29.374 -47.894 1.00 0.00 WATA O ATOM 8024 H1 TIP3A1408 -33.048 -29.444 -46.897 1.00 0.00 WATA H ATOM 8025 H2 TIP3A1408 -33.895 -29.052 -48.237 1.00 0.00 WATA H ATOM 8026 OH2 TIP3A1409 47.234 40.918 48.030 1.00 0.00 WATA O ATOM 8027 H1 TIP3A1409 46.961 39.988 48.279 1.00 0.00 WATA H ATOM 8028 H2 TIP3A1409 48.173 40.910 47.689 1.00 0.00 WATA H ATOM 8029 OH2 TIP3A1410 39.803 25.012 -38.795 1.00 0.00 WATA O ATOM 8030 H1 TIP3A1410 40.011 25.179 -39.759 1.00 0.00 WATA H ATOM 8031 H2 TIP3A1410 40.646 25.056 -38.259 1.00 0.00 WATA H ATOM 8032 OH2 TIP3A1411 -17.070 40.320 -46.327 1.00 0.00 WATA O ATOM 8033 H1 TIP3A1411 -17.097 41.080 -45.678 1.00 0.00 WATA H ATOM 8034 H2 TIP3A1411 -16.758 40.651 -47.217 1.00 0.00 WATA H ATOM 8035 OH2 TIP3A1412 5.131 10.358 41.827 1.00 0.00 WATA O ATOM 8036 H1 TIP3A1412 5.055 10.507 42.813 1.00 0.00 WATA H ATOM 8037 H2 TIP3A1412 4.298 9.919 41.491 1.00 0.00 WATA H ATOM 8038 OH2 TIP3A1413 2.910 -2.861 -36.785 1.00 0.00 WATA O ATOM 8039 H1 TIP3A1413 2.615 -3.796 -36.589 1.00 0.00 WATA H ATOM 8040 H2 TIP3A1413 2.109 -2.276 -36.906 1.00 0.00 WATA H ATOM 8041 OH2 TIP3A1414 -42.968 40.869 -51.008 1.00 0.00 WATA O ATOM 8042 H1 TIP3A1414 -42.306 40.128 -51.122 1.00 0.00 WATA H ATOM 8043 H2 TIP3A1414 -42.483 41.738 -50.913 1.00 0.00 WATA H ATOM 8044 OH2 TIP3A1415 -28.143 50.590 -14.784 1.00 0.00 WATA O ATOM 8045 H1 TIP3A1415 -28.668 50.174 -15.527 1.00 0.00 WATA H ATOM 8046 H2 TIP3A1415 -28.108 51.581 -14.914 1.00 0.00 WATA H ATOM 8047 OH2 TIP3A1416 -29.160 -51.010 -23.499 1.00 0.00 WATA O ATOM 8048 H1 TIP3A1416 -28.549 -51.771 -23.721 1.00 0.00 WATA H ATOM 8049 H2 TIP3A1416 -28.618 -50.216 -23.227 1.00 0.00 WATA H ATOM 8050 OH2 TIP3A1417 41.141 -45.070 -39.331 1.00 0.00 WATA O ATOM 8051 H1 TIP3A1417 41.455 -45.506 -40.175 1.00 0.00 WATA H ATOM 8052 H2 TIP3A1417 40.635 -45.734 -38.781 1.00 0.00 WATA H ATOM 8053 OH2 TIP3A1418 22.382 -38.150 -22.863 1.00 0.00 WATA O ATOM 8054 H1 TIP3A1418 22.374 -39.009 -22.350 1.00 0.00 WATA H ATOM 8055 H2 TIP3A1418 21.444 -37.879 -23.075 1.00 0.00 WATA H ATOM 8056 OH2 TIP3A1419 -34.323 42.318 50.865 1.00 0.00 WATA O ATOM 8057 H1 TIP3A1419 -34.424 42.381 51.858 1.00 0.00 WATA H ATOM 8058 H2 TIP3A1419 -34.916 42.993 50.426 1.00 0.00 WATA H ATOM 8059 OH2 TIP3A1420 10.017 -17.608 47.152 1.00 0.00 WATA O ATOM 8060 H1 TIP3A1420 9.158 -18.115 47.225 1.00 0.00 WATA H ATOM 8061 H2 TIP3A1420 10.269 -17.248 48.050 1.00 0.00 WATA H ATOM 8062 OH2 TIP3A1421 17.889 -12.719 -19.334 1.00 0.00 WATA O ATOM 8063 H1 TIP3A1421 17.897 -13.423 -18.624 1.00 0.00 WATA H ATOM 8064 H2 TIP3A1421 18.603 -12.046 -19.144 1.00 0.00 WATA H ATOM 8065 OH2 TIP3A1422 -27.433 -49.131 -9.419 1.00 0.00 WATA O ATOM 8066 H1 TIP3A1422 -26.934 -49.758 -10.017 1.00 0.00 WATA H ATOM 8067 H2 TIP3A1422 -28.373 -49.452 -9.309 1.00 0.00 WATA H ATOM 8068 OH2 TIP3A1423 -33.021 -43.577 -40.459 1.00 0.00 WATA O ATOM 8069 H1 TIP3A1423 -33.996 -43.501 -40.668 1.00 0.00 WATA H ATOM 8070 H2 TIP3A1423 -32.637 -44.363 -40.942 1.00 0.00 WATA H ATOM 8071 OH2 TIP3A1424 15.241 10.360 38.013 1.00 0.00 WATA O ATOM 8072 H1 TIP3A1424 15.450 9.730 38.761 1.00 0.00 WATA H ATOM 8073 H2 TIP3A1424 15.914 11.098 38.001 1.00 0.00 WATA H ATOM 8074 OH2 TIP3A1425 38.761 -18.538 13.404 1.00 0.00 WATA O ATOM 8075 H1 TIP3A1425 38.893 -18.794 12.446 1.00 0.00 WATA H ATOM 8076 H2 TIP3A1425 39.642 -18.294 13.808 1.00 0.00 WATA H ATOM 8077 OH2 TIP3A1426 49.567 -39.775 9.784 1.00 0.00 WATA O ATOM 8078 H1 TIP3A1426 49.371 -40.632 10.261 1.00 0.00 WATA H ATOM 8079 H2 TIP3A1426 49.993 -39.975 8.902 1.00 0.00 WATA H ATOM 8080 OH2 TIP3A1427 -36.758 48.943 -35.222 1.00 0.00 WATA O ATOM 8081 H1 TIP3A1427 -36.704 49.814 -35.711 1.00 0.00 WATA H ATOM 8082 H2 TIP3A1427 -37.220 49.080 -34.347 1.00 0.00 WATA H ATOM 8083 OH2 TIP3A1428 19.392 -41.420 39.721 1.00 0.00 WATA O ATOM 8084 H1 TIP3A1428 19.850 -42.304 39.622 1.00 0.00 WATA H ATOM 8085 H2 TIP3A1428 18.402 -41.552 39.699 1.00 0.00 WATA H ATOM 8086 OH2 TIP3A1429 -1.756 41.848 -38.952 1.00 0.00 WATA O ATOM 8087 H1 TIP3A1429 -2.649 41.666 -39.364 1.00 0.00 WATA H ATOM 8088 H2 TIP3A1429 -1.208 41.012 -38.962 1.00 0.00 WATA H ATOM 8089 OH2 TIP3A1430 -25.129 21.713 50.890 1.00 0.00 WATA O ATOM 8090 H1 TIP3A1430 -24.486 21.515 50.150 1.00 0.00 WATA H ATOM 8091 H2 TIP3A1430 -26.049 21.433 50.616 1.00 0.00 WATA H ATOM 8092 OH2 TIP3A1431 21.690 -46.142 35.695 1.00 0.00 WATA O ATOM 8093 H1 TIP3A1431 20.896 -45.677 35.303 1.00 0.00 WATA H ATOM 8094 H2 TIP3A1431 22.298 -45.469 36.114 1.00 0.00 WATA H ATOM 8095 OH2 TIP3A1432 30.055 -32.827 -37.102 1.00 0.00 WATA O ATOM 8096 H1 TIP3A1432 29.093 -33.087 -37.007 1.00 0.00 WATA H ATOM 8097 H2 TIP3A1432 30.634 -33.618 -36.907 1.00 0.00 WATA H ATOM 8098 OH2 TIP3A1433 -50.078 1.176 -25.415 1.00 0.00 WATA O ATOM 8099 H1 TIP3A1433 -50.988 1.592 -25.406 1.00 0.00 WATA H ATOM 8100 H2 TIP3A1433 -50.166 0.182 -25.449 1.00 0.00 WATA H ATOM 8101 OH2 TIP3A1434 37.717 23.972 -0.681 1.00 0.00 WATA O ATOM 8102 H1 TIP3A1434 37.697 24.941 -0.433 1.00 0.00 WATA H ATOM 8103 H2 TIP3A1434 38.551 23.777 -1.197 1.00 0.00 WATA H ATOM 8104 OH2 TIP3A1435 48.966 -34.040 10.179 1.00 0.00 WATA O ATOM 8105 H1 TIP3A1435 49.828 -34.216 9.703 1.00 0.00 WATA H ATOM 8106 H2 TIP3A1435 48.763 -34.802 10.793 1.00 0.00 WATA H ATOM 8107 OH2 TIP3A1436 39.841 39.672 34.229 1.00 0.00 WATA O ATOM 8108 H1 TIP3A1436 40.704 39.594 33.729 1.00 0.00 WATA H ATOM 8109 H2 TIP3A1436 39.792 38.955 34.924 1.00 0.00 WATA H ATOM 8110 OH2 TIP3A1437 4.076 -51.335 52.522 1.00 0.00 WATA O ATOM 8111 H1 TIP3A1437 4.529 -50.463 52.333 1.00 0.00 WATA H ATOM 8112 H2 TIP3A1437 3.112 -51.172 52.726 1.00 0.00 WATA H ATOM 8113 OH2 TIP3A1438 6.496 18.976 -21.857 1.00 0.00 WATA O ATOM 8114 H1 TIP3A1438 7.070 18.333 -21.349 1.00 0.00 WATA H ATOM 8115 H2 TIP3A1438 7.074 19.572 -22.413 1.00 0.00 WATA H ATOM 8116 OH2 TIP3A1439 19.398 -14.545 41.984 1.00 0.00 WATA O ATOM 8117 H1 TIP3A1439 19.834 -13.653 41.864 1.00 0.00 WATA H ATOM 8118 H2 TIP3A1439 19.942 -15.099 42.613 1.00 0.00 WATA H ATOM 8119 OH2 TIP3A1440 -50.669 -14.429 -45.893 1.00 0.00 WATA O ATOM 8120 H1 TIP3A1440 -50.890 -13.481 -45.662 1.00 0.00 WATA H ATOM 8121 H2 TIP3A1440 -51.507 -14.918 -46.132 1.00 0.00 WATA H ATOM 8122 OH2 TIP3A1441 -15.875 -36.999 -18.992 1.00 0.00 WATA O ATOM 8123 H1 TIP3A1441 -16.487 -36.760 -18.237 1.00 0.00 WATA H ATOM 8124 H2 TIP3A1441 -16.225 -36.607 -19.842 1.00 0.00 WATA H ATOM 8125 OH2 TIP3A1442 11.862 15.559 -34.947 1.00 0.00 WATA O ATOM 8126 H1 TIP3A1442 12.838 15.341 -34.949 1.00 0.00 WATA H ATOM 8127 H2 TIP3A1442 11.727 16.488 -35.290 1.00 0.00 WATA H ATOM 8128 OH2 TIP3A1443 6.739 -48.884 40.278 1.00 0.00 WATA O ATOM 8129 H1 TIP3A1443 6.507 -49.526 39.547 1.00 0.00 WATA H ATOM 8130 H2 TIP3A1443 7.683 -48.577 40.165 1.00 0.00 WATA H ATOM 8131 OH2 TIP3A1444 32.212 -51.843 -20.118 1.00 0.00 WATA O ATOM 8132 H1 TIP3A1444 32.288 -52.821 -19.918 1.00 0.00 WATA H ATOM 8133 H2 TIP3A1444 31.595 -51.708 -20.892 1.00 0.00 WATA H ATOM 8134 OH2 TIP3A1445 0.343 38.969 42.788 1.00 0.00 WATA O ATOM 8135 H1 TIP3A1445 1.144 38.984 42.190 1.00 0.00 WATA H ATOM 8136 H2 TIP3A1445 0.172 39.889 43.140 1.00 0.00 WATA H ATOM 8137 OH2 TIP3A1446 -18.441 -29.101 -27.554 1.00 0.00 WATA O ATOM 8138 H1 TIP3A1446 -18.020 -28.260 -27.894 1.00 0.00 WATA H ATOM 8139 H2 TIP3A1446 -19.229 -28.871 -26.983 1.00 0.00 WATA H ATOM 8140 OH2 TIP3A1447 -27.370 46.623 41.947 1.00 0.00 WATA O ATOM 8141 H1 TIP3A1447 -27.386 47.319 41.229 1.00 0.00 WATA H ATOM 8142 H2 TIP3A1447 -27.413 47.065 42.842 1.00 0.00 WATA H ATOM 8143 OH2 TIP3A1448 -46.893 30.296 4.229 1.00 0.00 WATA O ATOM 8144 H1 TIP3A1448 -46.424 29.430 4.054 1.00 0.00 WATA H ATOM 8145 H2 TIP3A1448 -46.276 30.919 4.708 1.00 0.00 WATA H ATOM 8146 OH2 TIP3A1449 -10.042 -32.078 5.679 1.00 0.00 WATA O ATOM 8147 H1 TIP3A1449 -9.074 -31.976 5.450 1.00 0.00 WATA H ATOM 8148 H2 TIP3A1449 -10.172 -32.910 6.217 1.00 0.00 WATA H ATOM 8149 OH2 TIP3A1450 32.326 43.492 13.883 1.00 0.00 WATA O ATOM 8150 H1 TIP3A1450 33.079 44.150 13.897 1.00 0.00 WATA H ATOM 8151 H2 TIP3A1450 32.680 42.584 13.662 1.00 0.00 WATA H ATOM 8152 OH2 TIP3A1451 28.650 24.300 -32.374 1.00 0.00 WATA O ATOM 8153 H1 TIP3A1451 27.930 23.609 -32.442 1.00 0.00 WATA H ATOM 8154 H2 TIP3A1451 28.316 25.079 -31.845 1.00 0.00 WATA H ATOM 8155 OH2 TIP3A1452 -33.068 28.600 -1.856 1.00 0.00 WATA O ATOM 8156 H1 TIP3A1452 -33.779 28.215 -1.268 1.00 0.00 WATA H ATOM 8157 H2 TIP3A1452 -33.446 28.776 -2.765 1.00 0.00 WATA H ATOM 8158 OH2 TIP3A1453 22.903 39.064 -5.652 1.00 0.00 WATA O ATOM 8159 H1 TIP3A1453 22.009 38.722 -5.362 1.00 0.00 WATA H ATOM 8160 H2 TIP3A1453 22.943 40.053 -5.514 1.00 0.00 WATA H ATOM 8161 OH2 TIP3A1454 39.684 -12.092 23.261 1.00 0.00 WATA O ATOM 8162 H1 TIP3A1454 38.992 -11.412 23.506 1.00 0.00 WATA H ATOM 8163 H2 TIP3A1454 40.574 -11.645 23.170 1.00 0.00 WATA H ATOM 8164 OH2 TIP3A1455 -30.734 22.760 23.444 1.00 0.00 WATA O ATOM 8165 H1 TIP3A1455 -29.911 23.029 22.944 1.00 0.00 WATA H ATOM 8166 H2 TIP3A1455 -30.954 23.458 24.125 1.00 0.00 WATA H ATOM 8167 OH2 TIP3A1456 43.205 -48.966 37.542 1.00 0.00 WATA O ATOM 8168 H1 TIP3A1456 42.430 -49.249 38.108 1.00 0.00 WATA H ATOM 8169 H2 TIP3A1456 43.389 -47.995 37.690 1.00 0.00 WATA H ATOM 8170 OH2 TIP3A1457 -15.376 -22.964 48.339 1.00 0.00 WATA O ATOM 8171 H1 TIP3A1457 -14.493 -23.356 48.080 1.00 0.00 WATA H ATOM 8172 H2 TIP3A1457 -15.229 -22.094 48.808 1.00 0.00 WATA H ATOM 8173 OH2 TIP3A1458 3.489 36.485 31.876 1.00 0.00 WATA O ATOM 8174 H1 TIP3A1458 4.343 36.812 32.281 1.00 0.00 WATA H ATOM 8175 H2 TIP3A1458 3.688 35.766 31.212 1.00 0.00 WATA H ATOM 8176 OH2 TIP3A1459 9.034 19.382 38.222 1.00 0.00 WATA O ATOM 8177 H1 TIP3A1459 9.490 18.629 37.746 1.00 0.00 WATA H ATOM 8178 H2 TIP3A1459 9.682 19.828 38.838 1.00 0.00 WATA H ATOM 8179 OH2 TIP3A1460 34.402 31.471 23.752 1.00 0.00 WATA O ATOM 8180 H1 TIP3A1460 33.590 31.691 24.293 1.00 0.00 WATA H ATOM 8181 H2 TIP3A1460 34.285 30.575 23.324 1.00 0.00 WATA H ATOM 8182 OH2 TIP3A1461 40.713 10.394 -10.112 1.00 0.00 WATA O ATOM 8183 H1 TIP3A1461 41.193 9.999 -10.896 1.00 0.00 WATA H ATOM 8184 H2 TIP3A1461 40.426 9.663 -9.494 1.00 0.00 WATA H ATOM 8185 OH2 TIP3A1462 -45.518 34.301 -14.866 1.00 0.00 WATA O ATOM 8186 H1 TIP3A1462 -45.846 34.461 -13.934 1.00 0.00 WATA H ATOM 8187 H2 TIP3A1462 -45.405 33.319 -15.015 1.00 0.00 WATA H ATOM 8188 OH2 TIP3A1463 -28.048 -41.205 -8.390 1.00 0.00 WATA O ATOM 8189 H1 TIP3A1463 -28.305 -40.526 -7.703 1.00 0.00 WATA H ATOM 8190 H2 TIP3A1463 -27.264 -41.731 -8.062 1.00 0.00 WATA H ATOM 8191 OH2 TIP3A1464 -52.300 25.413 -16.740 1.00 0.00 WATA O ATOM 8192 H1 TIP3A1464 -53.299 25.462 -16.746 1.00 0.00 WATA H ATOM 8193 H2 TIP3A1464 -51.921 26.337 -16.706 1.00 0.00 WATA H ATOM 8194 OH2 TIP3A1465 27.102 -17.644 30.709 1.00 0.00 WATA O ATOM 8195 H1 TIP3A1465 27.343 -16.883 31.311 1.00 0.00 WATA H ATOM 8196 H2 TIP3A1465 26.125 -17.607 30.498 1.00 0.00 WATA H ATOM 8197 OH2 TIP3A1466 32.395 37.907 46.998 1.00 0.00 WATA O ATOM 8198 H1 TIP3A1466 32.495 37.860 46.004 1.00 0.00 WATA H ATOM 8199 H2 TIP3A1466 32.127 37.011 47.349 1.00 0.00 WATA H ATOM 8200 OH2 TIP3A1467 7.789 10.318 -50.993 1.00 0.00 WATA O ATOM 8201 H1 TIP3A1467 8.788 10.375 -50.984 1.00 0.00 WATA H ATOM 8202 H2 TIP3A1467 7.485 9.920 -51.858 1.00 0.00 WATA H ATOM 8203 OH2 TIP3A1468 -3.696 40.109 -7.959 1.00 0.00 WATA O ATOM 8204 H1 TIP3A1468 -2.855 39.578 -7.849 1.00 0.00 WATA H ATOM 8205 H2 TIP3A1468 -4.479 39.490 -7.999 1.00 0.00 WATA H ATOM 8206 OH2 TIP3A1469 -39.040 18.630 -41.907 1.00 0.00 WATA O ATOM 8207 H1 TIP3A1469 -38.226 19.182 -42.085 1.00 0.00 WATA H ATOM 8208 H2 TIP3A1469 -39.726 19.187 -41.441 1.00 0.00 WATA H ATOM 8209 OH2 TIP3A1470 -48.051 -34.686 19.303 1.00 0.00 WATA O ATOM 8210 H1 TIP3A1470 -47.114 -35.008 19.435 1.00 0.00 WATA H ATOM 8211 H2 TIP3A1470 -48.679 -35.463 19.341 1.00 0.00 WATA H ATOM 8212 OH2 TIP3A1471 -31.517 14.731 44.618 1.00 0.00 WATA O ATOM 8213 H1 TIP3A1471 -32.321 15.321 44.693 1.00 0.00 WATA H ATOM 8214 H2 TIP3A1471 -31.760 13.897 44.125 1.00 0.00 WATA H ATOM 8215 OH2 TIP3A1472 -47.382 1.460 -52.403 1.00 0.00 WATA O ATOM 8216 H1 TIP3A1472 -47.390 0.522 -52.752 1.00 0.00 WATA H ATOM 8217 H2 TIP3A1472 -46.455 1.829 -52.459 1.00 0.00 WATA H ATOM 8218 OH2 TIP3A1473 39.283 39.477 -23.221 1.00 0.00 WATA O ATOM 8219 H1 TIP3A1473 38.967 40.422 -23.300 1.00 0.00 WATA H ATOM 8220 H2 TIP3A1473 38.495 38.866 -23.153 1.00 0.00 WATA H ATOM 8221 OH2 TIP3A1474 27.800 3.019 4.408 1.00 0.00 WATA O ATOM 8222 H1 TIP3A1474 28.106 2.554 5.239 1.00 0.00 WATA H ATOM 8223 H2 TIP3A1474 28.593 3.247 3.843 1.00 0.00 WATA H ATOM 8224 OH2 TIP3A1475 -21.540 51.199 9.055 1.00 0.00 WATA O ATOM 8225 H1 TIP3A1475 -22.429 51.657 9.072 1.00 0.00 WATA H ATOM 8226 H2 TIP3A1475 -21.239 51.088 8.108 1.00 0.00 WATA H ATOM 8227 OH2 TIP3A1476 -53.345 -11.904 -7.363 1.00 0.00 WATA O ATOM 8228 H1 TIP3A1476 -52.402 -12.236 -7.315 1.00 0.00 WATA H ATOM 8229 H2 TIP3A1476 -53.345 -10.931 -7.590 1.00 0.00 WATA H ATOM 8230 OH2 TIP3A1477 -29.528 -44.480 26.236 1.00 0.00 WATA O ATOM 8231 H1 TIP3A1477 -29.972 -43.821 25.628 1.00 0.00 WATA H ATOM 8232 H2 TIP3A1477 -28.729 -44.870 25.780 1.00 0.00 WATA H ATOM 8233 OH2 TIP3A1478 -42.103 9.959 -46.028 1.00 0.00 WATA O ATOM 8234 H1 TIP3A1478 -42.914 9.761 -46.580 1.00 0.00 WATA H ATOM 8235 H2 TIP3A1478 -42.378 10.127 -45.082 1.00 0.00 WATA H ATOM 8236 OH2 TIP3A1479 -27.346 52.932 -29.560 1.00 0.00 WATA O ATOM 8237 H1 TIP3A1479 -28.318 52.841 -29.776 1.00 0.00 WATA H ATOM 8238 H2 TIP3A1479 -26.810 52.369 -30.188 1.00 0.00 WATA H ATOM 8239 OH2 TIP3A1480 46.609 0.582 -43.269 1.00 0.00 WATA O ATOM 8240 H1 TIP3A1480 46.260 -0.322 -43.022 1.00 0.00 WATA H ATOM 8241 H2 TIP3A1480 46.296 0.820 -44.188 1.00 0.00 WATA H ATOM 8242 OH2 TIP3A1481 38.471 -15.089 14.381 1.00 0.00 WATA O ATOM 8243 H1 TIP3A1481 37.530 -14.750 14.392 1.00 0.00 WATA H ATOM 8244 H2 TIP3A1481 38.465 -16.088 14.359 1.00 0.00 WATA H ATOM 8245 OH2 TIP3A1482 51.924 29.611 39.708 1.00 0.00 WATA O ATOM 8246 H1 TIP3A1482 52.815 29.378 39.318 1.00 0.00 WATA H ATOM 8247 H2 TIP3A1482 51.351 28.793 39.742 1.00 0.00 WATA H ATOM 8248 OH2 TIP3A1483 -10.974 -49.933 9.067 1.00 0.00 WATA O ATOM 8249 H1 TIP3A1483 -10.074 -50.056 8.647 1.00 0.00 WATA H ATOM 8250 H2 TIP3A1483 -11.533 -49.338 8.490 1.00 0.00 WATA H ATOM 8251 OH2 TIP3A1484 -27.934 43.832 11.330 1.00 0.00 WATA O ATOM 8252 H1 TIP3A1484 -28.232 42.889 11.181 1.00 0.00 WATA H ATOM 8253 H2 TIP3A1484 -28.725 44.400 11.555 1.00 0.00 WATA H ATOM 8254 OH2 TIP3A1485 -18.345 -37.701 25.840 1.00 0.00 WATA O ATOM 8255 H1 TIP3A1485 -17.781 -38.001 25.071 1.00 0.00 WATA H ATOM 8256 H2 TIP3A1485 -18.576 -38.488 26.411 1.00 0.00 WATA H ATOM 8257 OH2 TIP3A1486 -53.142 7.095 -39.102 1.00 0.00 WATA O ATOM 8258 H1 TIP3A1486 -52.258 7.320 -39.515 1.00 0.00 WATA H ATOM 8259 H2 TIP3A1486 -53.345 7.748 -38.373 1.00 0.00 WATA H ATOM 8260 OH2 TIP3A1487 -44.205 22.769 11.864 1.00 0.00 WATA O ATOM 8261 H1 TIP3A1487 -44.193 22.261 11.003 1.00 0.00 WATA H ATOM 8262 H2 TIP3A1487 -44.273 23.747 11.674 1.00 0.00 WATA H ATOM 8263 OH2 TIP3A1488 -37.222 -29.274 -29.103 1.00 0.00 WATA O ATOM 8264 H1 TIP3A1488 -37.898 -28.805 -28.535 1.00 0.00 WATA H ATOM 8265 H2 TIP3A1488 -37.422 -29.107 -30.068 1.00 0.00 WATA H ATOM 8266 OH2 TIP3A1489 35.110 -17.154 -32.838 1.00 0.00 WATA O ATOM 8267 H1 TIP3A1489 35.314 -16.244 -33.200 1.00 0.00 WATA H ATOM 8268 H2 TIP3A1489 35.955 -17.685 -32.777 1.00 0.00 WATA H ATOM 8269 OH2 TIP3A1490 39.514 -13.764 17.416 1.00 0.00 WATA O ATOM 8270 H1 TIP3A1490 38.741 -13.773 18.051 1.00 0.00 WATA H ATOM 8271 H2 TIP3A1490 39.220 -14.117 16.528 1.00 0.00 WATA H ATOM 8272 OH2 TIP3A1491 29.396 -6.908 -33.783 1.00 0.00 WATA O ATOM 8273 H1 TIP3A1491 29.240 -7.668 -34.414 1.00 0.00 WATA H ATOM 8274 H2 TIP3A1491 28.518 -6.533 -33.489 1.00 0.00 WATA H ATOM 8275 OH2 TIP3A1492 -26.894 26.148 -5.410 1.00 0.00 WATA O ATOM 8276 H1 TIP3A1492 -27.272 25.300 -5.036 1.00 0.00 WATA H ATOM 8277 H2 TIP3A1492 -25.980 25.973 -5.775 1.00 0.00 WATA H ATOM 8278 OH2 TIP3A1493 12.640 -21.557 10.930 1.00 0.00 WATA O ATOM 8279 H1 TIP3A1493 12.607 -20.789 11.570 1.00 0.00 WATA H ATOM 8280 H2 TIP3A1493 13.187 -22.296 11.322 1.00 0.00 WATA H ATOM 8281 OH2 TIP3A1494 6.610 36.098 -8.920 1.00 0.00 WATA O ATOM 8282 H1 TIP3A1494 7.587 35.916 -9.037 1.00 0.00 WATA H ATOM 8283 H2 TIP3A1494 6.094 35.253 -9.061 1.00 0.00 WATA H ATOM 8284 OH2 TIP3A1495 -25.962 -47.681 8.646 1.00 0.00 WATA O ATOM 8285 H1 TIP3A1495 -25.444 -47.938 7.830 1.00 0.00 WATA H ATOM 8286 H2 TIP3A1495 -25.338 -47.315 9.336 1.00 0.00 WATA H ATOM 8287 OH2 TIP3A1496 -14.590 -5.164 -43.104 1.00 0.00 WATA O ATOM 8288 H1 TIP3A1496 -14.623 -5.967 -42.509 1.00 0.00 WATA H ATOM 8289 H2 TIP3A1496 -13.680 -4.752 -43.058 1.00 0.00 WATA H ATOM 8290 OH2 TIP3A1497 -31.837 -35.498 -6.063 1.00 0.00 WATA O ATOM 8291 H1 TIP3A1497 -32.563 -35.082 -6.612 1.00 0.00 WATA H ATOM 8292 H2 TIP3A1497 -31.879 -35.142 -5.130 1.00 0.00 WATA H ATOM 8293 OH2 TIP3A1498 -26.206 29.302 11.438 1.00 0.00 WATA O ATOM 8294 H1 TIP3A1498 -25.471 29.858 11.826 1.00 0.00 WATA H ATOM 8295 H2 TIP3A1498 -26.925 29.899 11.085 1.00 0.00 WATA H ATOM 8296 OH2 TIP3A1499 17.457 -14.593 -10.124 1.00 0.00 WATA O ATOM 8297 H1 TIP3A1499 18.046 -14.838 -9.354 1.00 0.00 WATA H ATOM 8298 H2 TIP3A1499 16.820 -13.876 -9.841 1.00 0.00 WATA H ATOM 8299 OH2 TIP3A1500 -35.320 28.894 -11.346 1.00 0.00 WATA O ATOM 8300 H1 TIP3A1500 -36.121 29.490 -11.286 1.00 0.00 WATA H ATOM 8301 H2 TIP3A1500 -35.518 28.128 -11.956 1.00 0.00 WATA H ATOM 8302 OH2 TIP3A1501 -6.937 -17.706 -35.345 1.00 0.00 WATA O ATOM 8303 H1 TIP3A1501 -6.215 -17.173 -34.903 1.00 0.00 WATA H ATOM 8304 H2 TIP3A1501 -7.595 -17.087 -35.772 1.00 0.00 WATA H ATOM 8305 OH2 TIP3A1502 -39.791 5.895 39.855 1.00 0.00 WATA O ATOM 8306 H1 TIP3A1502 -40.081 5.821 40.809 1.00 0.00 WATA H ATOM 8307 H2 TIP3A1502 -39.256 6.730 39.732 1.00 0.00 WATA H ATOM 8308 OH2 TIP3A1503 -3.907 8.341 -43.745 1.00 0.00 WATA O ATOM 8309 H1 TIP3A1503 -2.948 8.618 -43.692 1.00 0.00 WATA H ATOM 8310 H2 TIP3A1503 -3.973 7.450 -44.192 1.00 0.00 WATA H ATOM 8311 OH2 TIP3A1504 -15.201 37.949 -30.991 1.00 0.00 WATA O ATOM 8312 H1 TIP3A1504 -15.999 38.481 -30.706 1.00 0.00 WATA H ATOM 8313 H2 TIP3A1504 -14.791 38.372 -31.799 1.00 0.00 WATA H ATOM 8314 OH2 TIP3A1505 -38.197 -52.111 47.194 1.00 0.00 WATA O ATOM 8315 H1 TIP3A1505 -38.090 -52.966 47.703 1.00 0.00 WATA H ATOM 8316 H2 TIP3A1505 -37.875 -52.239 46.257 1.00 0.00 WATA H ATOM 8317 OH2 TIP3A1506 3.256 35.797 9.856 1.00 0.00 WATA O ATOM 8318 H1 TIP3A1506 4.163 35.640 9.462 1.00 0.00 WATA H ATOM 8319 H2 TIP3A1506 3.266 36.642 10.390 1.00 0.00 WATA H ATOM 8320 OH2 TIP3A1507 -32.128 -11.312 50.199 1.00 0.00 WATA O ATOM 8321 H1 TIP3A1507 -32.028 -10.664 49.444 1.00 0.00 WATA H ATOM 8322 H2 TIP3A1507 -32.459 -10.832 51.010 1.00 0.00 WATA H ATOM 8323 OH2 TIP3A1508 12.857 11.107 41.172 1.00 0.00 WATA O ATOM 8324 H1 TIP3A1508 12.457 10.190 41.158 1.00 0.00 WATA H ATOM 8325 H2 TIP3A1508 13.534 11.164 41.905 1.00 0.00 WATA H ATOM 8326 OH2 TIP3A1509 26.829 -31.555 34.076 1.00 0.00 WATA O ATOM 8327 H1 TIP3A1509 27.810 -31.371 34.014 1.00 0.00 WATA H ATOM 8328 H2 TIP3A1509 26.659 -32.522 33.888 1.00 0.00 WATA H ATOM 8329 OH2 TIP3A1510 27.396 -25.562 -52.204 1.00 0.00 WATA O ATOM 8330 H1 TIP3A1510 27.866 -25.350 -51.347 1.00 0.00 WATA H ATOM 8331 H2 TIP3A1510 27.273 -24.723 -52.733 1.00 0.00 WATA H ATOM 8332 OH2 TIP3A1511 -30.612 8.534 10.805 1.00 0.00 WATA O ATOM 8333 H1 TIP3A1511 -31.173 9.040 10.150 1.00 0.00 WATA H ATOM 8334 H2 TIP3A1511 -30.637 7.559 10.584 1.00 0.00 WATA H ATOM 8335 OH2 TIP3A1512 3.088 -38.897 42.194 1.00 0.00 WATA O ATOM 8336 H1 TIP3A1512 2.846 -38.811 43.161 1.00 0.00 WATA H ATOM 8337 H2 TIP3A1512 2.327 -39.313 41.696 1.00 0.00 WATA H ATOM 8338 OH2 TIP3A1513 -51.540 20.996 23.792 1.00 0.00 WATA O ATOM 8339 H1 TIP3A1513 -52.498 21.120 24.052 1.00 0.00 WATA H ATOM 8340 H2 TIP3A1513 -51.400 20.059 23.472 1.00 0.00 WATA H ATOM 8341 OH2 TIP3A1514 50.068 -34.231 -31.498 1.00 0.00 WATA O ATOM 8342 H1 TIP3A1514 49.068 -34.226 -31.509 1.00 0.00 WATA H ATOM 8343 H2 TIP3A1514 50.408 -33.304 -31.650 1.00 0.00 WATA H ATOM 8344 OH2 TIP3A1515 -5.013 45.594 -13.581 1.00 0.00 WATA O ATOM 8345 H1 TIP3A1515 -5.009 45.749 -12.593 1.00 0.00 WATA H ATOM 8346 H2 TIP3A1515 -5.007 44.611 -13.764 1.00 0.00 WATA H ATOM 8347 OH2 TIP3A1516 42.322 -33.583 -20.560 1.00 0.00 WATA O ATOM 8348 H1 TIP3A1516 41.480 -33.735 -21.079 1.00 0.00 WATA H ATOM 8349 H2 TIP3A1516 42.238 -34.005 -19.657 1.00 0.00 WATA H ATOM 8350 OH2 TIP3A1517 -36.354 -36.197 31.202 1.00 0.00 WATA O ATOM 8351 H1 TIP3A1517 -36.710 -35.286 30.991 1.00 0.00 WATA H ATOM 8352 H2 TIP3A1517 -36.070 -36.648 30.356 1.00 0.00 WATA H ATOM 8353 OH2 TIP3A1518 40.821 13.748 -16.757 1.00 0.00 WATA O ATOM 8354 H1 TIP3A1518 40.637 12.765 -16.788 1.00 0.00 WATA H ATOM 8355 H2 TIP3A1518 40.560 14.108 -15.862 1.00 0.00 WATA H ATOM 8356 OH2 TIP3A1519 -51.342 11.531 -25.143 1.00 0.00 WATA O ATOM 8357 H1 TIP3A1519 -51.819 12.343 -24.806 1.00 0.00 WATA H ATOM 8358 H2 TIP3A1519 -51.594 10.741 -24.586 1.00 0.00 WATA H ATOM 8359 OH2 TIP3A1520 22.938 -12.274 21.710 1.00 0.00 WATA O ATOM 8360 H1 TIP3A1520 22.904 -13.248 21.483 1.00 0.00 WATA H ATOM 8361 H2 TIP3A1520 22.493 -11.748 20.987 1.00 0.00 WATA H ATOM 8362 OH2 TIP3A1521 -49.735 -33.774 31.156 1.00 0.00 WATA O ATOM 8363 H1 TIP3A1521 -50.334 -34.517 30.858 1.00 0.00 WATA H ATOM 8364 H2 TIP3A1521 -50.272 -32.940 31.279 1.00 0.00 WATA H ATOM 8365 OH2 TIP3A1522 -38.076 33.254 21.394 1.00 0.00 WATA O ATOM 8366 H1 TIP3A1522 -37.107 33.457 21.254 1.00 0.00 WATA H ATOM 8367 H2 TIP3A1522 -38.300 32.381 20.963 1.00 0.00 WATA H ATOM 8368 OH2 TIP3A1523 -4.205 -41.944 -8.891 1.00 0.00 WATA O ATOM 8369 H1 TIP3A1523 -5.013 -41.358 -8.837 1.00 0.00 WATA H ATOM 8370 H2 TIP3A1523 -3.469 -41.457 -9.360 1.00 0.00 WATA H ATOM 8371 OH2 TIP3A1524 44.599 -34.519 37.481 1.00 0.00 WATA O ATOM 8372 H1 TIP3A1524 43.833 -33.904 37.669 1.00 0.00 WATA H ATOM 8373 H2 TIP3A1524 44.855 -34.449 36.517 1.00 0.00 WATA H ATOM 8374 OH2 TIP3A1525 37.624 45.171 13.917 1.00 0.00 WATA O ATOM 8375 H1 TIP3A1525 37.377 45.826 13.202 1.00 0.00 WATA H ATOM 8376 H2 TIP3A1525 38.003 45.660 14.701 1.00 0.00 WATA H ATOM 8377 OH2 TIP3A1526 -52.807 -42.608 -44.056 1.00 0.00 WATA O ATOM 8378 H1 TIP3A1526 -53.345 -43.058 -43.343 1.00 0.00 WATA H ATOM 8379 H2 TIP3A1526 -53.345 -41.872 -44.465 1.00 0.00 WATA H ATOM 8380 OH2 TIP3A1527 40.483 40.804 0.392 1.00 0.00 WATA O ATOM 8381 H1 TIP3A1527 41.422 40.517 0.579 1.00 0.00 WATA H ATOM 8382 H2 TIP3A1527 39.902 39.998 0.286 1.00 0.00 WATA H ATOM 8383 OH2 TIP3A1528 13.967 8.251 28.755 1.00 0.00 WATA O ATOM 8384 H1 TIP3A1528 14.727 7.990 29.351 1.00 0.00 WATA H ATOM 8385 H2 TIP3A1528 14.325 8.567 27.877 1.00 0.00 WATA H ATOM 8386 OH2 TIP3A1529 -26.000 35.565 27.698 1.00 0.00 WATA O ATOM 8387 H1 TIP3A1529 -25.615 34.932 27.026 1.00 0.00 WATA H ATOM 8388 H2 TIP3A1529 -25.761 36.503 27.449 1.00 0.00 WATA H ATOM 8389 OH2 TIP3A1530 -40.095 -13.591 -33.959 1.00 0.00 WATA O ATOM 8390 H1 TIP3A1530 -40.193 -13.796 -32.985 1.00 0.00 WATA H ATOM 8391 H2 TIP3A1530 -40.175 -12.605 -34.102 1.00 0.00 WATA H ATOM 8392 OH2 TIP3A1531 44.982 -40.610 15.410 1.00 0.00 WATA O ATOM 8393 H1 TIP3A1531 44.290 -39.888 15.430 1.00 0.00 WATA H ATOM 8394 H2 TIP3A1531 44.532 -41.502 15.386 1.00 0.00 WATA H ATOM 8395 OH2 TIP3A1532 -28.988 3.969 -26.612 1.00 0.00 WATA O ATOM 8396 H1 TIP3A1532 -29.604 3.304 -26.191 1.00 0.00 WATA H ATOM 8397 H2 TIP3A1532 -29.129 4.866 -26.195 1.00 0.00 WATA H ATOM 8398 OH2 TIP3A1533 -52.495 -6.899 27.755 1.00 0.00 WATA O ATOM 8399 H1 TIP3A1533 -53.345 -7.388 27.559 1.00 0.00 WATA H ATOM 8400 H2 TIP3A1533 -52.290 -6.272 27.004 1.00 0.00 WATA H ATOM 8401 OH2 TIP3A1534 -32.145 -21.176 16.359 1.00 0.00 WATA O ATOM 8402 H1 TIP3A1534 -32.345 -20.743 15.480 1.00 0.00 WATA H ATOM 8403 H2 TIP3A1534 -31.677 -22.045 16.204 1.00 0.00 WATA H ATOM 8404 OH2 TIP3A1535 -1.879 -28.298 11.723 1.00 0.00 WATA O ATOM 8405 H1 TIP3A1535 -2.778 -27.881 11.594 1.00 0.00 WATA H ATOM 8406 H2 TIP3A1535 -1.956 -29.070 12.353 1.00 0.00 WATA H ATOM 8407 OH2 TIP3A1536 9.064 17.302 -42.313 1.00 0.00 WATA O ATOM 8408 H1 TIP3A1536 8.144 16.975 -42.094 1.00 0.00 WATA H ATOM 8409 H2 TIP3A1536 9.210 18.194 -41.888 1.00 0.00 WATA H ATOM 8410 OH2 TIP3A1537 43.738 -20.032 3.632 1.00 0.00 WATA O ATOM 8411 H1 TIP3A1537 44.723 -20.089 3.471 1.00 0.00 WATA H ATOM 8412 H2 TIP3A1537 43.359 -20.953 3.718 1.00 0.00 WATA H ATOM 8413 OH2 TIP3A1538 46.089 -0.440 28.284 1.00 0.00 WATA O ATOM 8414 H1 TIP3A1538 45.113 -0.400 28.072 1.00 0.00 WATA H ATOM 8415 H2 TIP3A1538 46.496 0.464 28.159 1.00 0.00 WATA H ATOM 8416 OH2 TIP3A1539 41.722 10.049 -7.718 1.00 0.00 WATA O ATOM 8417 H1 TIP3A1539 41.605 9.056 -7.738 1.00 0.00 WATA H ATOM 8418 H2 TIP3A1539 42.687 10.275 -7.848 1.00 0.00 WATA H ATOM 8419 OH2 TIP3A1540 45.866 37.237 -13.990 1.00 0.00 WATA O ATOM 8420 H1 TIP3A1540 45.074 37.827 -14.148 1.00 0.00 WATA H ATOM 8421 H2 TIP3A1540 45.672 36.615 -13.232 1.00 0.00 WATA H ATOM 8422 OH2 TIP3A1541 45.932 33.008 6.309 1.00 0.00 WATA O ATOM 8423 H1 TIP3A1541 46.113 33.465 5.438 1.00 0.00 WATA H ATOM 8424 H2 TIP3A1541 46.421 32.137 6.338 1.00 0.00 WATA H ATOM 8425 OH2 TIP3A1542 -40.540 25.313 27.970 1.00 0.00 WATA O ATOM 8426 H1 TIP3A1542 -40.842 25.834 27.171 1.00 0.00 WATA H ATOM 8427 H2 TIP3A1542 -41.028 25.633 28.781 1.00 0.00 WATA H ATOM 8428 OH2 TIP3A1543 44.689 -33.532 -19.802 1.00 0.00 WATA O ATOM 8429 H1 TIP3A1543 44.355 -34.436 -20.070 1.00 0.00 WATA H ATOM 8430 H2 TIP3A1543 44.455 -33.360 -18.846 1.00 0.00 WATA H ATOM 8431 OH2 TIP3A1544 -50.545 -47.461 30.214 1.00 0.00 WATA O ATOM 8432 H1 TIP3A1544 -49.958 -47.116 30.948 1.00 0.00 WATA H ATOM 8433 H2 TIP3A1544 -51.304 -47.977 30.609 1.00 0.00 WATA H ATOM 8434 OH2 TIP3A1545 -26.156 -8.528 -51.351 1.00 0.00 WATA O ATOM 8435 H1 TIP3A1545 -26.832 -8.316 -52.057 1.00 0.00 WATA H ATOM 8436 H2 TIP3A1545 -25.653 -9.353 -51.608 1.00 0.00 WATA H ATOM 8437 OH2 TIP3A1546 -8.155 -31.903 -51.489 1.00 0.00 WATA O ATOM 8438 H1 TIP3A1546 -8.774 -31.291 -50.996 1.00 0.00 WATA H ATOM 8439 H2 TIP3A1546 -8.502 -32.838 -51.441 1.00 0.00 WATA H ATOM 8440 OH2 TIP3A1547 42.011 -5.711 -8.149 1.00 0.00 WATA O ATOM 8441 H1 TIP3A1547 42.786 -5.128 -7.908 1.00 0.00 WATA H ATOM 8442 H2 TIP3A1547 41.456 -5.258 -8.846 1.00 0.00 WATA H ATOM 8443 OH2 TIP3A1548 0.499 43.282 12.969 1.00 0.00 WATA O ATOM 8444 H1 TIP3A1548 0.588 44.267 13.123 1.00 0.00 WATA H ATOM 8445 H2 TIP3A1548 0.473 42.808 13.848 1.00 0.00 WATA H ATOM 8446 OH2 TIP3A1549 -5.018 52.009 37.187 1.00 0.00 WATA O ATOM 8447 H1 TIP3A1549 -5.987 51.830 37.015 1.00 0.00 WATA H ATOM 8448 H2 TIP3A1549 -4.584 51.182 37.543 1.00 0.00 WATA H ATOM 8449 OH2 TIP3A1550 -1.751 -43.618 40.490 1.00 0.00 WATA O ATOM 8450 H1 TIP3A1550 -0.778 -43.649 40.720 1.00 0.00 WATA H ATOM 8451 H2 TIP3A1550 -2.025 -44.488 40.080 1.00 0.00 WATA H ATOM 8452 OH2 TIP3A1551 -25.850 -9.089 29.023 1.00 0.00 WATA O ATOM 8453 H1 TIP3A1551 -25.253 -8.870 28.251 1.00 0.00 WATA H ATOM 8454 H2 TIP3A1551 -25.329 -9.034 29.874 1.00 0.00 WATA H ATOM 8455 OH2 TIP3A1552 43.007 10.422 0.055 1.00 0.00 WATA O ATOM 8456 H1 TIP3A1552 43.962 10.141 0.152 1.00 0.00 WATA H ATOM 8457 H2 TIP3A1552 42.599 10.533 0.961 1.00 0.00 WATA H ATOM 8458 OH2 TIP3A1553 -15.558 34.596 -14.120 1.00 0.00 WATA O ATOM 8459 H1 TIP3A1553 -15.894 35.202 -13.398 1.00 0.00 WATA H ATOM 8460 H2 TIP3A1553 -15.727 35.015 -15.012 1.00 0.00 WATA H ATOM 8461 OH2 TIP3A1554 44.589 32.657 37.040 1.00 0.00 WATA O ATOM 8462 H1 TIP3A1554 45.054 33.215 36.352 1.00 0.00 WATA H ATOM 8463 H2 TIP3A1554 43.609 32.638 36.848 1.00 0.00 WATA H ATOM 8464 OH2 TIP3A1555 -10.488 -33.025 31.194 1.00 0.00 WATA O ATOM 8465 H1 TIP3A1555 -9.915 -32.209 31.271 1.00 0.00 WATA H ATOM 8466 H2 TIP3A1555 -11.147 -32.902 30.453 1.00 0.00 WATA H ATOM 8467 OH2 TIP3A1556 45.716 30.522 -29.408 1.00 0.00 WATA O ATOM 8468 H1 TIP3A1556 45.397 29.829 -28.761 1.00 0.00 WATA H ATOM 8469 H2 TIP3A1556 46.485 30.160 -29.933 1.00 0.00 WATA H ATOM 8470 OH2 TIP3A1557 -37.833 -2.205 -7.430 1.00 0.00 WATA O ATOM 8471 H1 TIP3A1557 -37.129 -1.495 -7.441 1.00 0.00 WATA H ATOM 8472 H2 TIP3A1557 -38.682 -1.827 -7.064 1.00 0.00 WATA H ATOM 8473 OH2 TIP3A1558 29.144 -17.457 34.493 1.00 0.00 WATA O ATOM 8474 H1 TIP3A1558 28.342 -17.869 34.060 1.00 0.00 WATA H ATOM 8475 H2 TIP3A1558 29.876 -17.364 33.819 1.00 0.00 WATA H ATOM 8476 OH2 TIP3A1559 23.269 27.039 29.782 1.00 0.00 WATA O ATOM 8477 H1 TIP3A1559 22.731 26.959 28.943 1.00 0.00 WATA H ATOM 8478 H2 TIP3A1559 23.421 28.005 29.990 1.00 0.00 WATA H ATOM 8479 OH2 TIP3A1560 51.596 -41.209 -28.701 1.00 0.00 WATA O ATOM 8480 H1 TIP3A1560 52.337 -41.242 -29.372 1.00 0.00 WATA H ATOM 8481 H2 TIP3A1560 51.328 -42.140 -28.454 1.00 0.00 WATA H ATOM 8482 OH2 TIP3A1561 0.587 -51.187 18.425 1.00 0.00 WATA O ATOM 8483 H1 TIP3A1561 0.306 -50.813 17.540 1.00 0.00 WATA H ATOM 8484 H2 TIP3A1561 -0.075 -51.873 18.723 1.00 0.00 WATA H ATOM 8485 OH2 TIP3A1562 -4.202 28.701 -6.706 1.00 0.00 WATA O ATOM 8486 H1 TIP3A1562 -3.917 29.658 -6.657 1.00 0.00 WATA H ATOM 8487 H2 TIP3A1562 -5.200 28.647 -6.672 1.00 0.00 WATA H ATOM 8488 OH2 TIP3A1563 -18.568 45.955 35.504 1.00 0.00 WATA O ATOM 8489 H1 TIP3A1563 -18.837 45.525 36.366 1.00 0.00 WATA H ATOM 8490 H2 TIP3A1563 -18.043 46.783 35.694 1.00 0.00 WATA H ATOM 8491 OH2 TIP3A1564 -37.921 -53.268 42.942 1.00 0.00 WATA O ATOM 8492 H1 TIP3A1564 -38.878 -53.100 42.702 1.00 0.00 WATA H ATOM 8493 H2 TIP3A1564 -37.464 -52.398 43.122 1.00 0.00 WATA H ATOM 8494 OH2 TIP3A1565 52.971 15.310 -43.806 1.00 0.00 WATA O ATOM 8495 H1 TIP3A1565 51.978 15.207 -43.874 1.00 0.00 WATA H ATOM 8496 H2 TIP3A1565 53.345 14.569 -43.248 1.00 0.00 WATA H ATOM 8497 OH2 TIP3A1566 7.314 41.815 46.756 1.00 0.00 WATA O ATOM 8498 H1 TIP3A1566 7.046 42.575 46.164 1.00 0.00 WATA H ATOM 8499 H2 TIP3A1566 8.244 41.527 46.529 1.00 0.00 WATA H ATOM 8500 OH2 TIP3A1567 -38.927 -15.579 -12.004 1.00 0.00 WATA O ATOM 8501 H1 TIP3A1567 -39.020 -14.584 -12.024 1.00 0.00 WATA H ATOM 8502 H2 TIP3A1567 -39.827 -15.996 -11.885 1.00 0.00 WATA H ATOM 8503 OH2 TIP3A1568 -16.493 37.780 13.032 1.00 0.00 WATA O ATOM 8504 H1 TIP3A1568 -16.136 37.612 13.951 1.00 0.00 WATA H ATOM 8505 H2 TIP3A1568 -16.751 38.741 12.945 1.00 0.00 WATA H ATOM 8506 OH2 TIP3A1569 7.355 24.273 -18.082 1.00 0.00 WATA O ATOM 8507 H1 TIP3A1569 6.395 24.555 -18.086 1.00 0.00 WATA H ATOM 8508 H2 TIP3A1569 7.428 23.340 -17.731 1.00 0.00 WATA H ATOM 8509 OH2 TIP3A1570 32.770 -17.316 -12.344 1.00 0.00 WATA O ATOM 8510 H1 TIP3A1570 33.429 -17.000 -13.028 1.00 0.00 WATA H ATOM 8511 H2 TIP3A1570 32.081 -17.889 -12.785 1.00 0.00 WATA H ATOM 8512 OH2 TIP3A1571 32.478 38.752 24.250 1.00 0.00 WATA O ATOM 8513 H1 TIP3A1571 33.376 39.086 24.535 1.00 0.00 WATA H ATOM 8514 H2 TIP3A1571 32.414 37.771 24.428 1.00 0.00 WATA H ATOM 8515 OH2 TIP3A1572 -7.860 -23.022 28.792 1.00 0.00 WATA O ATOM 8516 H1 TIP3A1572 -8.255 -22.104 28.835 1.00 0.00 WATA H ATOM 8517 H2 TIP3A1572 -6.868 -22.954 28.694 1.00 0.00 WATA H ATOM 8518 OH2 TIP3A1573 33.815 9.792 -48.539 1.00 0.00 WATA O ATOM 8519 H1 TIP3A1573 32.985 10.216 -48.901 1.00 0.00 WATA H ATOM 8520 H2 TIP3A1573 34.431 9.566 -49.293 1.00 0.00 WATA H ATOM 8521 OH2 TIP3A1574 37.705 20.688 -37.488 1.00 0.00 WATA O ATOM 8522 H1 TIP3A1574 36.988 20.611 -38.181 1.00 0.00 WATA H ATOM 8523 H2 TIP3A1574 38.409 19.999 -37.659 1.00 0.00 WATA H ATOM 8524 OH2 TIP3A1575 -27.836 -31.530 1.738 1.00 0.00 WATA O ATOM 8525 H1 TIP3A1575 -28.312 -32.332 1.376 1.00 0.00 WATA H ATOM 8526 H2 TIP3A1575 -26.862 -31.732 1.828 1.00 0.00 WATA H ATOM 8527 OH2 TIP3A1576 48.792 22.009 16.087 1.00 0.00 WATA O ATOM 8528 H1 TIP3A1576 49.423 21.237 16.006 1.00 0.00 WATA H ATOM 8529 H2 TIP3A1576 47.949 21.804 15.589 1.00 0.00 WATA H ATOM 8530 OH2 TIP3A1577 -36.790 -26.206 -21.585 1.00 0.00 WATA O ATOM 8531 H1 TIP3A1577 -36.453 -26.617 -22.433 1.00 0.00 WATA H ATOM 8532 H2 TIP3A1577 -37.668 -26.615 -21.342 1.00 0.00 WATA H ATOM 8533 OH2 TIP3A1578 25.900 13.383 -10.682 1.00 0.00 WATA O ATOM 8534 H1 TIP3A1578 26.595 12.748 -11.020 1.00 0.00 WATA H ATOM 8535 H2 TIP3A1578 25.070 12.876 -10.450 1.00 0.00 WATA H ATOM 8536 OH2 TIP3A1579 -40.717 -42.611 51.066 1.00 0.00 WATA O ATOM 8537 H1 TIP3A1579 -41.119 -43.510 51.243 1.00 0.00 WATA H ATOM 8538 H2 TIP3A1579 -41.356 -41.898 51.352 1.00 0.00 WATA H ATOM 8539 OH2 TIP3A1580 -3.001 -48.929 30.074 1.00 0.00 WATA O ATOM 8540 H1 TIP3A1580 -3.872 -48.482 29.869 1.00 0.00 WATA H ATOM 8541 H2 TIP3A1580 -3.171 -49.778 30.574 1.00 0.00 WATA H ATOM 8542 OH2 TIP3A1581 -23.251 15.592 -47.779 1.00 0.00 WATA O ATOM 8543 H1 TIP3A1581 -23.435 15.931 -48.702 1.00 0.00 WATA H ATOM 8544 H2 TIP3A1581 -23.599 16.245 -47.108 1.00 0.00 WATA H ATOM 8545 OH2 TIP3A1582 24.730 45.713 13.430 1.00 0.00 WATA O ATOM 8546 H1 TIP3A1582 25.599 45.870 12.959 1.00 0.00 WATA H ATOM 8547 H2 TIP3A1582 24.219 46.570 13.481 1.00 0.00 WATA H ATOM 8548 OH2 TIP3A1583 53.345 -37.743 -44.738 1.00 0.00 WATA O ATOM 8549 H1 TIP3A1583 52.608 -37.365 -44.177 1.00 0.00 WATA H ATOM 8550 H2 TIP3A1583 52.970 -38.075 -45.603 1.00 0.00 WATA H ATOM 8551 OH2 TIP3A1584 -42.087 45.247 -38.552 1.00 0.00 WATA O ATOM 8552 H1 TIP3A1584 -41.470 44.489 -38.337 1.00 0.00 WATA H ATOM 8553 H2 TIP3A1584 -42.624 45.019 -39.364 1.00 0.00 WATA H ATOM 8554 OH2 TIP3A1585 5.200 10.045 37.219 1.00 0.00 WATA O ATOM 8555 H1 TIP3A1585 4.612 10.825 37.434 1.00 0.00 WATA H ATOM 8556 H2 TIP3A1585 6.107 10.373 36.959 1.00 0.00 WATA H ATOM 8557 OH2 TIP3A1586 41.709 -28.208 44.578 1.00 0.00 WATA O ATOM 8558 H1 TIP3A1586 40.981 -28.880 44.716 1.00 0.00 WATA H ATOM 8559 H2 TIP3A1586 42.579 -28.681 44.448 1.00 0.00 WATA H ATOM 8560 OH2 TIP3A1587 32.078 13.860 -32.747 1.00 0.00 WATA O ATOM 8561 H1 TIP3A1587 32.310 12.909 -32.540 1.00 0.00 WATA H ATOM 8562 H2 TIP3A1587 32.499 14.125 -33.613 1.00 0.00 WATA H ATOM 8563 OH2 TIP3A1588 -22.226 44.749 -39.363 1.00 0.00 WATA O ATOM 8564 H1 TIP3A1588 -22.858 45.459 -39.672 1.00 0.00 WATA H ATOM 8565 H2 TIP3A1588 -22.381 43.913 -39.889 1.00 0.00 WATA H ATOM 8566 OH2 TIP3A1589 43.219 -5.416 -15.752 1.00 0.00 WATA O ATOM 8567 H1 TIP3A1589 42.440 -4.811 -15.919 1.00 0.00 WATA H ATOM 8568 H2 TIP3A1589 42.887 -6.321 -15.486 1.00 0.00 WATA H ATOM 8569 OH2 TIP3A1590 -36.857 47.194 -49.217 1.00 0.00 WATA O ATOM 8570 H1 TIP3A1590 -36.553 48.140 -49.328 1.00 0.00 WATA H ATOM 8571 H2 TIP3A1590 -36.141 46.665 -48.763 1.00 0.00 WATA H ATOM 8572 OH2 TIP3A1591 -27.434 -16.690 -35.849 1.00 0.00 WATA O ATOM 8573 H1 TIP3A1591 -27.810 -15.766 -35.924 1.00 0.00 WATA H ATOM 8574 H2 TIP3A1591 -26.551 -16.654 -35.381 1.00 0.00 WATA H ATOM 8575 OH2 TIP3A1592 12.846 -16.864 -44.595 1.00 0.00 WATA O ATOM 8576 H1 TIP3A1592 11.897 -16.896 -44.910 1.00 0.00 WATA H ATOM 8577 H2 TIP3A1592 13.025 -15.978 -44.168 1.00 0.00 WATA H ATOM 8578 OH2 TIP3A1593 -28.590 -1.861 -7.411 1.00 0.00 WATA O ATOM 8579 H1 TIP3A1593 -29.420 -1.303 -7.421 1.00 0.00 WATA H ATOM 8580 H2 TIP3A1593 -27.787 -1.266 -7.415 1.00 0.00 WATA H ATOM 8581 OH2 TIP3A1594 -38.960 -5.579 36.902 1.00 0.00 WATA O ATOM 8582 H1 TIP3A1594 -39.394 -6.480 36.917 1.00 0.00 WATA H ATOM 8583 H2 TIP3A1594 -37.979 -5.678 37.063 1.00 0.00 WATA H ATOM 8584 OH2 TIP3A1595 -6.315 -13.567 35.160 1.00 0.00 WATA O ATOM 8585 H1 TIP3A1595 -5.430 -13.919 35.467 1.00 0.00 WATA H ATOM 8586 H2 TIP3A1595 -7.041 -14.188 35.453 1.00 0.00 WATA H ATOM 8587 OH2 TIP3A1596 -11.438 10.958 43.687 1.00 0.00 WATA O ATOM 8588 H1 TIP3A1596 -12.434 11.018 43.625 1.00 0.00 WATA H ATOM 8589 H2 TIP3A1596 -11.157 11.043 44.642 1.00 0.00 WATA H ATOM 8590 OH2 TIP3A1597 35.140 -42.523 38.175 1.00 0.00 WATA O ATOM 8591 H1 TIP3A1597 34.341 -43.125 38.213 1.00 0.00 WATA H ATOM 8592 H2 TIP3A1597 34.844 -41.571 38.245 1.00 0.00 WATA H ATOM 8593 OH2 TIP3A1598 25.331 -48.399 -21.846 1.00 0.00 WATA O ATOM 8594 H1 TIP3A1598 26.305 -48.626 -21.880 1.00 0.00 WATA H ATOM 8595 H2 TIP3A1598 24.794 -49.241 -21.808 1.00 0.00 WATA H ATOM 8596 OH2 TIP3A1599 -28.896 -5.846 -52.516 1.00 0.00 WATA O ATOM 8597 H1 TIP3A1599 -29.278 -6.627 -53.010 1.00 0.00 WATA H ATOM 8598 H2 TIP3A1599 -28.889 -6.041 -51.536 1.00 0.00 WATA H ATOM 8599 OH2 TIP3A1600 -5.692 -52.054 -35.787 1.00 0.00 WATA O ATOM 8600 H1 TIP3A1600 -4.853 -51.517 -35.876 1.00 0.00 WATA H ATOM 8601 H2 TIP3A1600 -5.616 -52.886 -36.334 1.00 0.00 WATA H ATOM 8602 OH2 TIP3A1601 -38.251 8.024 22.216 1.00 0.00 WATA O ATOM 8603 H1 TIP3A1601 -37.295 7.941 22.496 1.00 0.00 WATA H ATOM 8604 H2 TIP3A1601 -38.704 8.716 22.777 1.00 0.00 WATA H ATOM 8605 OH2 TIP3A1602 -40.971 39.098 39.669 1.00 0.00 WATA O ATOM 8606 H1 TIP3A1602 -40.132 38.970 40.198 1.00 0.00 WATA H ATOM 8607 H2 TIP3A1602 -40.739 39.311 38.721 1.00 0.00 WATA H ATOM 8608 OH2 TIP3A1603 3.988 -19.265 21.246 1.00 0.00 WATA O ATOM 8609 H1 TIP3A1603 4.955 -19.463 21.086 1.00 0.00 WATA H ATOM 8610 H2 TIP3A1603 3.485 -20.121 21.356 1.00 0.00 WATA H ATOM 8611 OH2 TIP3A1604 -27.084 4.634 -52.987 1.00 0.00 WATA O ATOM 8612 H1 TIP3A1604 -26.426 3.903 -53.168 1.00 0.00 WATA H ATOM 8613 H2 TIP3A1604 -27.967 4.234 -52.742 1.00 0.00 WATA H ATOM 8614 OH2 TIP3A1605 23.295 38.310 -41.692 1.00 0.00 WATA O ATOM 8615 H1 TIP3A1605 23.898 38.900 -42.229 1.00 0.00 WATA H ATOM 8616 H2 TIP3A1605 23.777 37.468 -41.453 1.00 0.00 WATA H ATOM 8617 OH2 TIP3A1606 45.460 50.391 -15.316 1.00 0.00 WATA O ATOM 8618 H1 TIP3A1606 45.675 50.746 -14.406 1.00 0.00 WATA H ATOM 8619 H2 TIP3A1606 45.563 49.397 -15.320 1.00 0.00 WATA H ATOM 8620 OH2 TIP3A1607 2.719 -23.333 35.888 1.00 0.00 WATA O ATOM 8621 H1 TIP3A1607 3.340 -22.625 35.552 1.00 0.00 WATA H ATOM 8622 H2 TIP3A1607 2.708 -23.320 36.887 1.00 0.00 WATA H ATOM 8623 OH2 TIP3A1608 -1.781 -52.681 -27.637 1.00 0.00 WATA O ATOM 8624 H1 TIP3A1608 -2.422 -53.345 -28.023 1.00 0.00 WATA H ATOM 8625 H2 TIP3A1608 -1.005 -53.163 -27.233 1.00 0.00 WATA H ATOM 8626 OH2 TIP3A1609 21.057 -27.745 -9.892 1.00 0.00 WATA O ATOM 8627 H1 TIP3A1609 20.329 -28.229 -9.405 1.00 0.00 WATA H ATOM 8628 H2 TIP3A1609 20.655 -27.153 -10.589 1.00 0.00 WATA H ATOM 8629 OH2 TIP3A1610 -40.972 -16.929 50.692 1.00 0.00 WATA O ATOM 8630 H1 TIP3A1610 -40.658 -17.323 51.557 1.00 0.00 WATA H ATOM 8631 H2 TIP3A1610 -40.905 -15.933 50.736 1.00 0.00 WATA H ATOM 8632 OH2 TIP3A1611 -50.081 22.818 33.309 1.00 0.00 WATA O ATOM 8633 H1 TIP3A1611 -49.999 21.822 33.336 1.00 0.00 WATA H ATOM 8634 H2 TIP3A1611 -49.169 23.227 33.294 1.00 0.00 WATA H ATOM 8635 OH2 TIP3A1612 3.042 11.440 39.239 1.00 0.00 WATA O ATOM 8636 H1 TIP3A1612 3.828 11.296 39.841 1.00 0.00 WATA H ATOM 8637 H2 TIP3A1612 2.635 10.558 39.005 1.00 0.00 WATA H ATOM 8638 OH2 TIP3A1613 48.005 11.491 10.244 1.00 0.00 WATA O ATOM 8639 H1 TIP3A1613 48.225 12.467 10.254 1.00 0.00 WATA H ATOM 8640 H2 TIP3A1613 48.794 10.968 10.565 1.00 0.00 WATA H ATOM 8641 OH2 TIP3A1614 28.985 -1.865 19.409 1.00 0.00 WATA O ATOM 8642 H1 TIP3A1614 29.140 -1.600 20.360 1.00 0.00 WATA H ATOM 8643 H2 TIP3A1614 28.080 -1.554 19.119 1.00 0.00 WATA H ATOM 8644 OH2 TIP3A1615 -40.236 -31.392 7.117 1.00 0.00 WATA O ATOM 8645 H1 TIP3A1615 -41.053 -31.668 7.623 1.00 0.00 WATA H ATOM 8646 H2 TIP3A1615 -39.434 -31.846 7.504 1.00 0.00 WATA H ATOM 8647 OH2 TIP3A1616 11.854 -8.367 29.038 1.00 0.00 WATA O ATOM 8648 H1 TIP3A1616 12.459 -8.567 28.267 1.00 0.00 WATA H ATOM 8649 H2 TIP3A1616 10.956 -8.774 28.872 1.00 0.00 WATA H ATOM 8650 OH2 TIP3A1617 -45.647 -47.643 38.151 1.00 0.00 WATA O ATOM 8651 H1 TIP3A1617 -46.284 -47.334 38.858 1.00 0.00 WATA H ATOM 8652 H2 TIP3A1617 -45.164 -46.855 37.769 1.00 0.00 WATA H ATOM 8653 OH2 TIP3A1618 6.813 -51.178 32.155 1.00 0.00 WATA O ATOM 8654 H1 TIP3A1618 6.702 -50.433 32.813 1.00 0.00 WATA H ATOM 8655 H2 TIP3A1618 6.778 -52.054 32.634 1.00 0.00 WATA H ATOM 8656 OH2 TIP3A1619 -26.483 37.734 3.115 1.00 0.00 WATA O ATOM 8657 H1 TIP3A1619 -25.490 37.631 3.168 1.00 0.00 WATA H ATOM 8658 H2 TIP3A1619 -26.754 38.590 3.553 1.00 0.00 WATA H ATOM 8659 OH2 TIP3A1620 -27.302 53.342 -41.777 1.00 0.00 WATA O ATOM 8660 H1 TIP3A1620 -28.118 52.815 -41.541 1.00 0.00 WATA H ATOM 8661 H2 TIP3A1620 -26.714 52.797 -42.373 1.00 0.00 WATA H ATOM 8662 OH2 TIP3A1621 -36.340 16.429 26.609 1.00 0.00 WATA O ATOM 8663 H1 TIP3A1621 -37.073 15.778 26.409 1.00 0.00 WATA H ATOM 8664 H2 TIP3A1621 -36.387 17.192 25.966 1.00 0.00 WATA H ATOM 8665 OH2 TIP3A1622 -41.465 7.595 -27.393 1.00 0.00 WATA O ATOM 8666 H1 TIP3A1622 -42.280 7.350 -27.918 1.00 0.00 WATA H ATOM 8667 H2 TIP3A1622 -41.273 8.569 -27.508 1.00 0.00 WATA H ATOM 8668 OH2 TIP3A1623 -27.484 37.751 19.755 1.00 0.00 WATA O ATOM 8669 H1 TIP3A1623 -27.593 36.760 19.675 1.00 0.00 WATA H ATOM 8670 H2 TIP3A1623 -28.204 38.209 19.235 1.00 0.00 WATA H ATOM 8671 OH2 TIP3A1624 26.766 -41.107 9.677 1.00 0.00 WATA O ATOM 8672 H1 TIP3A1624 26.702 -40.233 10.160 1.00 0.00 WATA H ATOM 8673 H2 TIP3A1624 25.856 -41.513 9.600 1.00 0.00 WATA H ATOM 8674 OH2 TIP3A1625 27.558 24.469 3.674 1.00 0.00 WATA O ATOM 8675 H1 TIP3A1625 28.204 23.973 3.094 1.00 0.00 WATA H ATOM 8676 H2 TIP3A1625 26.631 24.349 3.321 1.00 0.00 WATA H ATOM 8677 OH2 TIP3A1626 32.076 15.959 46.811 1.00 0.00 WATA O ATOM 8678 H1 TIP3A1626 31.310 16.446 46.391 1.00 0.00 WATA H ATOM 8679 H2 TIP3A1626 32.850 16.583 46.917 1.00 0.00 WATA H ATOM 8680 OH2 TIP3A1627 10.578 31.805 -45.403 1.00 0.00 WATA O ATOM 8681 H1 TIP3A1627 9.598 31.866 -45.216 1.00 0.00 WATA H ATOM 8682 H2 TIP3A1627 11.017 32.673 -45.173 1.00 0.00 WATA H ATOM 8683 OH2 TIP3A1628 41.730 43.852 33.491 1.00 0.00 WATA O ATOM 8684 H1 TIP3A1628 42.464 44.203 32.908 1.00 0.00 WATA H ATOM 8685 H2 TIP3A1628 41.253 44.617 33.923 1.00 0.00 WATA H ATOM 8686 OH2 TIP3A1629 50.179 -45.077 -32.312 1.00 0.00 WATA O ATOM 8687 H1 TIP3A1629 49.918 -44.360 -32.958 1.00 0.00 WATA H ATOM 8688 H2 TIP3A1629 49.484 -45.151 -31.597 1.00 0.00 WATA H ATOM 8689 OH2 TIP3A1630 -47.110 -52.745 -33.497 1.00 0.00 WATA O ATOM 8690 H1 TIP3A1630 -47.982 -52.767 -33.008 1.00 0.00 WATA H ATOM 8691 H2 TIP3A1630 -47.161 -53.345 -34.295 1.00 0.00 WATA H ATOM 8692 OH2 TIP3A1631 36.115 16.026 22.171 1.00 0.00 WATA O ATOM 8693 H1 TIP3A1631 35.942 15.713 23.105 1.00 0.00 WATA H ATOM 8694 H2 TIP3A1631 36.850 15.481 21.768 1.00 0.00 WATA H ATOM 8695 OH2 TIP3A1632 33.104 27.618 21.778 1.00 0.00 WATA O ATOM 8696 H1 TIP3A1632 33.175 26.623 21.706 1.00 0.00 WATA H ATOM 8697 H2 TIP3A1632 33.955 27.988 22.149 1.00 0.00 WATA H ATOM 8698 OH2 TIP3A1633 -42.603 -18.248 16.714 1.00 0.00 WATA O ATOM 8699 H1 TIP3A1633 -42.817 -17.459 16.138 1.00 0.00 WATA H ATOM 8700 H2 TIP3A1633 -43.385 -18.869 16.734 1.00 0.00 WATA H ATOM 8701 OH2 TIP3A1634 19.801 -47.682 11.014 1.00 0.00 WATA O ATOM 8702 H1 TIP3A1634 19.803 -48.680 10.954 1.00 0.00 WATA H ATOM 8703 H2 TIP3A1634 19.040 -47.383 11.588 1.00 0.00 WATA H ATOM 8704 OH2 TIP3A1635 27.266 -16.308 -47.314 1.00 0.00 WATA O ATOM 8705 H1 TIP3A1635 26.719 -17.134 -47.182 1.00 0.00 WATA H ATOM 8706 H2 TIP3A1635 28.084 -16.530 -47.843 1.00 0.00 WATA H ATOM 8707 OH2 TIP3A1636 -16.197 -35.815 29.396 1.00 0.00 WATA O ATOM 8708 H1 TIP3A1636 -16.686 -35.151 28.830 1.00 0.00 WATA H ATOM 8709 H2 TIP3A1636 -15.349 -35.406 29.733 1.00 0.00 WATA H ATOM 8710 OH2 TIP3A1637 19.015 31.673 48.051 1.00 0.00 WATA O ATOM 8711 H1 TIP3A1637 18.861 32.150 48.917 1.00 0.00 WATA H ATOM 8712 H2 TIP3A1637 19.954 31.832 47.745 1.00 0.00 WATA H ATOM 8713 OH2 TIP3A1638 22.619 -37.075 -14.063 1.00 0.00 WATA O ATOM 8714 H1 TIP3A1638 23.262 -36.358 -13.793 1.00 0.00 WATA H ATOM 8715 H2 TIP3A1638 21.737 -36.664 -14.291 1.00 0.00 WATA H ATOM 8716 OH2 TIP3A1639 37.251 -38.042 -34.765 1.00 0.00 WATA O ATOM 8717 H1 TIP3A1639 38.032 -37.638 -34.289 1.00 0.00 WATA H ATOM 8718 H2 TIP3A1639 37.332 -39.038 -34.754 1.00 0.00 WATA H ATOM 8719 OH2 TIP3A1640 8.610 -41.748 -43.635 1.00 0.00 WATA O ATOM 8720 H1 TIP3A1640 8.599 -40.872 -44.118 1.00 0.00 WATA H ATOM 8721 H2 TIP3A1640 9.535 -41.936 -43.306 1.00 0.00 WATA H ATOM 8722 OH2 TIP3A1641 -31.084 -15.669 16.007 1.00 0.00 WATA O ATOM 8723 H1 TIP3A1641 -31.763 -15.444 15.308 1.00 0.00 WATA H ATOM 8724 H2 TIP3A1641 -31.223 -15.088 16.807 1.00 0.00 WATA H ATOM 8725 OH2 TIP3A1642 -39.449 -53.341 -34.707 1.00 0.00 WATA O ATOM 8726 H1 TIP3A1642 -38.626 -53.341 -35.274 1.00 0.00 WATA H ATOM 8727 H2 TIP3A1642 -40.243 -53.118 -35.271 1.00 0.00 WATA H ATOM 8728 OH2 TIP3A1643 -21.316 24.215 -32.859 1.00 0.00 WATA O ATOM 8729 H1 TIP3A1643 -20.502 24.633 -33.262 1.00 0.00 WATA H ATOM 8730 H2 TIP3A1643 -21.068 23.757 -32.006 1.00 0.00 WATA H ATOM 8731 OH2 TIP3A1644 -35.629 13.229 28.970 1.00 0.00 WATA O ATOM 8732 H1 TIP3A1644 -35.633 14.184 29.267 1.00 0.00 WATA H ATOM 8733 H2 TIP3A1644 -34.694 12.877 28.989 1.00 0.00 WATA H ATOM 8734 OH2 TIP3A1645 -6.232 -27.924 13.755 1.00 0.00 WATA O ATOM 8735 H1 TIP3A1645 -6.200 -27.591 14.698 1.00 0.00 WATA H ATOM 8736 H2 TIP3A1645 -5.316 -28.203 13.469 1.00 0.00 WATA H ATOM 8737 OH2 TIP3A1646 47.917 31.814 30.821 1.00 0.00 WATA O ATOM 8738 H1 TIP3A1646 47.228 31.146 30.537 1.00 0.00 WATA H ATOM 8739 H2 TIP3A1646 47.665 32.719 30.481 1.00 0.00 WATA H ATOM 8740 OH2 TIP3A1647 35.422 -44.225 45.206 1.00 0.00 WATA O ATOM 8741 H1 TIP3A1647 36.134 -43.550 45.013 1.00 0.00 WATA H ATOM 8742 H2 TIP3A1647 35.559 -45.030 44.630 1.00 0.00 WATA H ATOM 8743 OH2 TIP3A1648 -40.291 -23.085 13.642 1.00 0.00 WATA O ATOM 8744 H1 TIP3A1648 -39.858 -22.184 13.682 1.00 0.00 WATA H ATOM 8745 H2 TIP3A1648 -40.736 -23.279 14.515 1.00 0.00 WATA H ATOM 8746 OH2 TIP3A1649 -51.293 19.658 43.106 1.00 0.00 WATA O ATOM 8747 H1 TIP3A1649 -50.910 19.626 42.183 1.00 0.00 WATA H ATOM 8748 H2 TIP3A1649 -52.242 19.345 43.085 1.00 0.00 WATA H ATOM 8749 OH2 TIP3A1650 -31.584 -26.919 -30.648 1.00 0.00 WATA O ATOM 8750 H1 TIP3A1650 -31.144 -26.264 -30.033 1.00 0.00 WATA H ATOM 8751 H2 TIP3A1650 -32.523 -26.629 -30.829 1.00 0.00 WATA H ATOM 8752 OH2 TIP3A1651 28.580 -6.149 31.327 1.00 0.00 WATA O ATOM 8753 H1 TIP3A1651 27.976 -5.524 30.832 1.00 0.00 WATA H ATOM 8754 H2 TIP3A1651 28.080 -6.982 31.560 1.00 0.00 WATA H ATOM 8755 OH2 TIP3A1652 -28.627 6.489 10.374 1.00 0.00 WATA O ATOM 8756 H1 TIP3A1652 -28.517 7.416 10.014 1.00 0.00 WATA H ATOM 8757 H2 TIP3A1652 -27.856 5.925 10.082 1.00 0.00 WATA H ATOM 8758 OH2 TIP3A1653 50.928 -18.105 48.974 1.00 0.00 WATA O ATOM 8759 H1 TIP3A1653 51.922 -18.019 49.036 1.00 0.00 WATA H ATOM 8760 H2 TIP3A1653 50.651 -19.013 49.287 1.00 0.00 WATA H ATOM 8761 OH2 TIP3A1654 40.114 7.850 21.185 1.00 0.00 WATA O ATOM 8762 H1 TIP3A1654 39.886 8.723 20.753 1.00 0.00 WATA H ATOM 8763 H2 TIP3A1654 39.473 7.148 20.876 1.00 0.00 WATA H ATOM 8764 OH2 TIP3A1655 50.057 36.768 43.191 1.00 0.00 WATA O ATOM 8765 H1 TIP3A1655 49.993 35.929 43.731 1.00 0.00 WATA H ATOM 8766 H2 TIP3A1655 49.247 37.331 43.351 1.00 0.00 WATA H ATOM 8767 OH2 TIP3A1656 -48.123 28.289 32.574 1.00 0.00 WATA O ATOM 8768 H1 TIP3A1656 -49.095 28.053 32.566 1.00 0.00 WATA H ATOM 8769 H2 TIP3A1656 -47.580 27.471 32.392 1.00 0.00 WATA H ATOM 8770 OH2 TIP3A1657 -35.665 -12.095 -15.403 1.00 0.00 WATA O ATOM 8771 H1 TIP3A1657 -36.360 -12.424 -14.764 1.00 0.00 WATA H ATOM 8772 H2 TIP3A1657 -36.104 -11.793 -16.249 1.00 0.00 WATA H ATOM 8773 OH2 TIP3A1658 -28.193 49.709 -31.563 1.00 0.00 WATA O ATOM 8774 H1 TIP3A1658 -28.145 50.566 -32.078 1.00 0.00 WATA H ATOM 8775 H2 TIP3A1658 -27.271 49.423 -31.305 1.00 0.00 WATA H ATOM 8776 OH2 TIP3A1659 47.162 22.324 -35.429 1.00 0.00 WATA O ATOM 8777 H1 TIP3A1659 46.178 22.367 -35.606 1.00 0.00 WATA H ATOM 8778 H2 TIP3A1659 47.333 21.744 -34.634 1.00 0.00 WATA H ATOM 8779 OH2 TIP3A1660 -2.669 -32.448 -33.504 1.00 0.00 WATA O ATOM 8780 H1 TIP3A1660 -2.264 -31.923 -32.755 1.00 0.00 WATA H ATOM 8781 H2 TIP3A1660 -3.629 -32.636 -33.299 1.00 0.00 WATA H ATOM 8782 OH2 TIP3A1661 -19.601 7.725 -19.945 1.00 0.00 WATA O ATOM 8783 H1 TIP3A1661 -19.989 8.508 -20.432 1.00 0.00 WATA H ATOM 8784 H2 TIP3A1661 -19.856 6.880 -20.414 1.00 0.00 WATA H ATOM 8785 OH2 TIP3A1662 -22.454 22.370 -19.622 1.00 0.00 WATA O ATOM 8786 H1 TIP3A1662 -23.312 21.857 -19.622 1.00 0.00 WATA H ATOM 8787 H2 TIP3A1662 -21.684 21.733 -19.627 1.00 0.00 WATA H ATOM 8788 OH2 TIP3A1663 51.300 37.100 -9.015 1.00 0.00 WATA O ATOM 8789 H1 TIP3A1663 50.644 36.573 -8.474 1.00 0.00 WATA H ATOM 8790 H2 TIP3A1663 52.181 36.628 -9.024 1.00 0.00 WATA H ATOM 8791 OH2 TIP3A1664 12.396 -25.432 0.881 1.00 0.00 WATA O ATOM 8792 H1 TIP3A1664 13.173 -25.679 0.302 1.00 0.00 WATA H ATOM 8793 H2 TIP3A1664 11.985 -24.585 0.546 1.00 0.00 WATA H ATOM 8794 OH2 TIP3A1665 44.565 9.847 30.561 1.00 0.00 WATA O ATOM 8795 H1 TIP3A1665 43.986 10.386 31.174 1.00 0.00 WATA H ATOM 8796 H2 TIP3A1665 45.472 9.741 30.967 1.00 0.00 WATA H ATOM 8797 OH2 TIP3A1666 -30.948 17.861 6.701 1.00 0.00 WATA O ATOM 8798 H1 TIP3A1666 -30.872 18.775 6.301 1.00 0.00 WATA H ATOM 8799 H2 TIP3A1666 -30.375 17.807 7.518 1.00 0.00 WATA H ATOM 8800 OH2 TIP3A1667 19.540 23.992 -1.903 1.00 0.00 WATA O ATOM 8801 H1 TIP3A1667 18.582 24.237 -2.049 1.00 0.00 WATA H ATOM 8802 H2 TIP3A1667 19.648 23.592 -0.994 1.00 0.00 WATA H ATOM 8803 OH2 TIP3A1668 32.828 22.251 -4.872 1.00 0.00 WATA O ATOM 8804 H1 TIP3A1668 33.223 23.158 -4.725 1.00 0.00 WATA H ATOM 8805 H2 TIP3A1668 33.545 21.617 -5.159 1.00 0.00 WATA H ATOM 8806 OH2 TIP3A1669 -39.172 47.714 -21.261 1.00 0.00 WATA O ATOM 8807 H1 TIP3A1669 -38.350 47.487 -20.738 1.00 0.00 WATA H ATOM 8808 H2 TIP3A1669 -39.977 47.611 -20.678 1.00 0.00 WATA H ATOM 8809 OH2 TIP3A1670 -25.768 3.870 20.982 1.00 0.00 WATA O ATOM 8810 H1 TIP3A1670 -24.970 3.949 20.385 1.00 0.00 WATA H ATOM 8811 H2 TIP3A1670 -25.661 4.481 21.765 1.00 0.00 WATA H ATOM 8812 OH2 TIP3A1671 1.420 -16.378 -45.319 1.00 0.00 WATA O ATOM 8813 H1 TIP3A1671 0.543 -16.788 -45.569 1.00 0.00 WATA H ATOM 8814 H2 TIP3A1671 1.260 -15.553 -44.778 1.00 0.00 WATA H ATOM 8815 OH2 TIP3A1672 12.234 -47.548 51.287 1.00 0.00 WATA O ATOM 8816 H1 TIP3A1672 11.987 -46.688 50.839 1.00 0.00 WATA H ATOM 8817 H2 TIP3A1672 11.813 -48.311 50.798 1.00 0.00 WATA H ATOM 8818 OH2 TIP3A1673 -34.456 47.744 -25.860 1.00 0.00 WATA O ATOM 8819 H1 TIP3A1673 -34.097 46.853 -26.140 1.00 0.00 WATA H ATOM 8820 H2 TIP3A1673 -34.786 48.239 -26.663 1.00 0.00 WATA H ATOM 8821 OH2 TIP3A1674 26.983 -41.306 49.585 1.00 0.00 WATA O ATOM 8822 H1 TIP3A1674 27.713 -41.358 48.903 1.00 0.00 WATA H ATOM 8823 H2 TIP3A1674 26.428 -40.492 49.417 1.00 0.00 WATA H ATOM 8824 OH2 TIP3A1675 16.087 -47.743 -12.298 1.00 0.00 WATA O ATOM 8825 H1 TIP3A1675 16.496 -46.852 -12.096 1.00 0.00 WATA H ATOM 8826 H2 TIP3A1675 16.719 -48.469 -12.028 1.00 0.00 WATA H ATOM 8827 OH2 TIP3A1676 17.909 33.386 39.866 1.00 0.00 WATA O ATOM 8828 H1 TIP3A1676 17.222 33.912 39.365 1.00 0.00 WATA H ATOM 8829 H2 TIP3A1676 17.470 32.611 40.320 1.00 0.00 WATA H ATOM 8830 OH2 TIP3A1677 30.176 -29.356 37.448 1.00 0.00 WATA O ATOM 8831 H1 TIP3A1677 30.436 -30.318 37.364 1.00 0.00 WATA H ATOM 8832 H2 TIP3A1677 29.208 -29.251 37.224 1.00 0.00 WATA H ATOM 8833 OH2 TIP3A1678 -34.837 5.560 34.578 1.00 0.00 WATA O ATOM 8834 H1 TIP3A1678 -33.906 5.194 34.611 1.00 0.00 WATA H ATOM 8835 H2 TIP3A1678 -35.110 5.692 33.626 1.00 0.00 WATA H ATOM 8836 OH2 TIP3A1679 -16.478 20.899 -37.488 1.00 0.00 WATA O ATOM 8837 H1 TIP3A1679 -16.302 21.873 -37.627 1.00 0.00 WATA H ATOM 8838 H2 TIP3A1679 -17.403 20.774 -37.131 1.00 0.00 WATA H ATOM 8839 OH2 TIP3A1680 -40.464 -51.653 29.641 1.00 0.00 WATA O ATOM 8840 H1 TIP3A1680 -39.601 -52.134 29.795 1.00 0.00 WATA H ATOM 8841 H2 TIP3A1680 -41.209 -52.316 29.574 1.00 0.00 WATA H ATOM 8842 OH2 TIP3A1681 -34.843 -49.741 -49.476 1.00 0.00 WATA O ATOM 8843 H1 TIP3A1681 -34.244 -50.416 -49.045 1.00 0.00 WATA H ATOM 8844 H2 TIP3A1681 -34.501 -48.822 -49.285 1.00 0.00 WATA H ATOM 8845 OH2 TIP3A1682 52.496 -47.923 -30.399 1.00 0.00 WATA O ATOM 8846 H1 TIP3A1682 51.796 -48.259 -29.768 1.00 0.00 WATA H ATOM 8847 H2 TIP3A1682 52.123 -47.895 -31.326 1.00 0.00 WATA H ATOM 8848 OH2 TIP3A1683 5.249 -48.005 -18.944 1.00 0.00 WATA O ATOM 8849 H1 TIP3A1683 4.831 -47.190 -19.345 1.00 0.00 WATA H ATOM 8850 H2 TIP3A1683 5.898 -47.732 -18.234 1.00 0.00 WATA H ATOM 8851 OH2 TIP3A1684 -20.571 42.623 24.977 1.00 0.00 WATA O ATOM 8852 H1 TIP3A1684 -19.817 42.055 25.309 1.00 0.00 WATA H ATOM 8853 H2 TIP3A1684 -21.442 42.198 25.221 1.00 0.00 WATA H ATOM 8854 OH2 TIP3A1685 8.206 39.115 11.523 1.00 0.00 WATA O ATOM 8855 H1 TIP3A1685 7.435 39.572 11.079 1.00 0.00 WATA H ATOM 8856 H2 TIP3A1685 7.922 38.774 12.418 1.00 0.00 WATA H ATOM 8857 OH2 TIP3A1686 -52.392 46.995 24.707 1.00 0.00 WATA O ATOM 8858 H1 TIP3A1686 -51.893 47.759 25.116 1.00 0.00 WATA H ATOM 8859 H2 TIP3A1686 -51.809 46.183 24.696 1.00 0.00 WATA H ATOM 8860 OH2 TIP3A1687 28.676 -25.861 -24.218 1.00 0.00 WATA O ATOM 8861 H1 TIP3A1687 28.127 -25.454 -23.488 1.00 0.00 WATA H ATOM 8862 H2 TIP3A1687 29.196 -26.633 -23.854 1.00 0.00 WATA H ATOM 8863 OH2 TIP3A1688 -5.404 11.134 -45.148 1.00 0.00 WATA O ATOM 8864 H1 TIP3A1688 -5.611 11.683 -45.958 1.00 0.00 WATA H ATOM 8865 H2 TIP3A1688 -4.560 11.464 -44.727 1.00 0.00 WATA H ATOM 8866 OH2 TIP3A1689 -25.442 37.198 20.358 1.00 0.00 WATA O ATOM 8867 H1 TIP3A1689 -24.584 37.712 20.343 1.00 0.00 WATA H ATOM 8868 H2 TIP3A1689 -25.321 36.333 19.871 1.00 0.00 WATA H ATOM 8869 OH2 TIP3A1690 34.984 -10.295 18.599 1.00 0.00 WATA O ATOM 8870 H1 TIP3A1690 34.787 -9.316 18.551 1.00 0.00 WATA H ATOM 8871 H2 TIP3A1690 35.973 -10.438 18.571 1.00 0.00 WATA H ATOM 8872 OH2 TIP3A1691 -48.350 39.321 -25.088 1.00 0.00 WATA O ATOM 8873 H1 TIP3A1691 -49.308 39.587 -24.973 1.00 0.00 WATA H ATOM 8874 H2 TIP3A1691 -48.226 38.379 -24.778 1.00 0.00 WATA H ATOM 8875 OH2 TIP3A1692 -36.868 30.425 13.068 1.00 0.00 WATA O ATOM 8876 H1 TIP3A1692 -37.079 29.520 13.436 1.00 0.00 WATA H ATOM 8877 H2 TIP3A1692 -37.086 30.448 12.093 1.00 0.00 WATA H ATOM 8878 OH2 TIP3A1693 -34.230 -34.054 46.158 1.00 0.00 WATA O ATOM 8879 H1 TIP3A1693 -34.875 -33.294 46.228 1.00 0.00 WATA H ATOM 8880 H2 TIP3A1693 -33.335 -33.708 45.879 1.00 0.00 WATA H ATOM 8881 OH2 TIP3A1694 -49.076 30.583 14.032 1.00 0.00 WATA O ATOM 8882 H1 TIP3A1694 -48.687 31.389 13.585 1.00 0.00 WATA H ATOM 8883 H2 TIP3A1694 -49.762 30.871 14.699 1.00 0.00 WATA H ATOM 8884 OH2 TIP3A1695 -19.189 -3.391 -23.658 1.00 0.00 WATA O ATOM 8885 H1 TIP3A1695 -19.434 -2.444 -23.450 1.00 0.00 WATA H ATOM 8886 H2 TIP3A1695 -18.929 -3.861 -22.815 1.00 0.00 WATA H ATOM 8887 OH2 TIP3A1696 -6.297 -30.611 15.444 1.00 0.00 WATA O ATOM 8888 H1 TIP3A1696 -6.438 -29.623 15.508 1.00 0.00 WATA H ATOM 8889 H2 TIP3A1696 -7.177 -31.066 15.317 1.00 0.00 WATA H ATOM 8890 OH2 TIP3A1697 -19.472 -16.262 3.944 1.00 0.00 WATA O ATOM 8891 H1 TIP3A1697 -18.541 -16.589 4.103 1.00 0.00 WATA H ATOM 8892 H2 TIP3A1697 -19.440 -15.367 3.501 1.00 0.00 WATA H ATOM 8893 OH2 TIP3A1698 -35.754 -0.407 -20.485 1.00 0.00 WATA O ATOM 8894 H1 TIP3A1698 -35.505 -0.823 -21.360 1.00 0.00 WATA H ATOM 8895 H2 TIP3A1698 -35.632 0.583 -20.539 1.00 0.00 WATA H ATOM 8896 OH2 TIP3A1699 47.977 11.763 -8.826 1.00 0.00 WATA O ATOM 8897 H1 TIP3A1699 47.669 11.941 -7.892 1.00 0.00 WATA H ATOM 8898 H2 TIP3A1699 48.073 10.777 -8.963 1.00 0.00 WATA H ATOM 8899 OH2 TIP3A1700 -37.717 7.105 -6.947 1.00 0.00 WATA O ATOM 8900 H1 TIP3A1700 -38.269 7.918 -7.134 1.00 0.00 WATA H ATOM 8901 H2 TIP3A1700 -38.278 6.420 -6.483 1.00 0.00 WATA H ATOM 8902 OH2 TIP3A1701 -0.680 -35.722 -16.213 1.00 0.00 WATA O ATOM 8903 H1 TIP3A1701 -1.530 -35.992 -16.666 1.00 0.00 WATA H ATOM 8904 H2 TIP3A1701 -0.697 -34.740 -16.028 1.00 0.00 WATA H ATOM 8905 OH2 TIP3A1702 25.469 -9.844 -53.333 1.00 0.00 WATA O ATOM 8906 H1 TIP3A1702 24.740 -10.529 -53.344 1.00 0.00 WATA H ATOM 8907 H2 TIP3A1702 26.356 -10.301 -53.287 1.00 0.00 WATA H ATOM 8908 OH2 TIP3A1703 5.456 37.462 -19.437 1.00 0.00 WATA O ATOM 8909 H1 TIP3A1703 4.573 37.808 -19.756 1.00 0.00 WATA H ATOM 8910 H2 TIP3A1703 6.172 38.123 -19.656 1.00 0.00 WATA H ATOM 8911 OH2 TIP3A1704 -14.405 31.631 21.230 1.00 0.00 WATA O ATOM 8912 H1 TIP3A1704 -13.571 31.626 21.783 1.00 0.00 WATA H ATOM 8913 H2 TIP3A1704 -14.727 32.571 21.121 1.00 0.00 WATA H ATOM 8914 OH2 TIP3A1705 -10.153 33.819 34.661 1.00 0.00 WATA O ATOM 8915 H1 TIP3A1705 -9.868 34.446 35.386 1.00 0.00 WATA H ATOM 8916 H2 TIP3A1705 -11.113 33.573 34.791 1.00 0.00 WATA H ATOM 8917 OH2 TIP3A1706 9.054 19.872 13.131 1.00 0.00 WATA O ATOM 8918 H1 TIP3A1706 9.135 20.868 13.165 1.00 0.00 WATA H ATOM 8919 H2 TIP3A1706 8.789 19.528 14.031 1.00 0.00 WATA H ATOM 8920 OH2 TIP3A1707 18.357 -31.639 48.676 1.00 0.00 WATA O ATOM 8921 H1 TIP3A1707 17.734 -31.079 49.223 1.00 0.00 WATA H ATOM 8922 H2 TIP3A1707 19.222 -31.749 49.164 1.00 0.00 WATA H ATOM 8923 OH2 TIP3A1708 1.180 -41.447 -22.980 1.00 0.00 WATA O ATOM 8924 H1 TIP3A1708 0.710 -40.776 -22.407 1.00 0.00 WATA H ATOM 8925 H2 TIP3A1708 1.969 -41.017 -23.418 1.00 0.00 WATA H ATOM 8926 OH2 TIP3A1709 40.953 1.278 -38.578 1.00 0.00 WATA O ATOM 8927 H1 TIP3A1709 41.470 2.130 -38.502 1.00 0.00 WATA H ATOM 8928 H2 TIP3A1709 41.587 0.506 -38.621 1.00 0.00 WATA H ATOM 8929 OH2 TIP3A1710 -5.765 50.059 -32.493 1.00 0.00 WATA O ATOM 8930 H1 TIP3A1710 -6.700 50.408 -32.433 1.00 0.00 WATA H ATOM 8931 H2 TIP3A1710 -5.499 49.980 -33.453 1.00 0.00 WATA H ATOM 8932 OH2 TIP3A1711 26.878 -3.281 -46.268 1.00 0.00 WATA O ATOM 8933 H1 TIP3A1711 26.275 -2.483 -46.304 1.00 0.00 WATA H ATOM 8934 H2 TIP3A1711 26.326 -4.114 -46.240 1.00 0.00 WATA H ATOM 8935 OH2 TIP3A1712 -48.693 -9.813 -38.856 1.00 0.00 WATA O ATOM 8936 H1 TIP3A1712 -47.975 -10.043 -38.199 1.00 0.00 WATA H ATOM 8937 H2 TIP3A1712 -49.321 -10.586 -38.948 1.00 0.00 WATA H ATOM 8938 OH2 TIP3A1713 28.453 -41.524 13.720 1.00 0.00 WATA O ATOM 8939 H1 TIP3A1713 27.925 -40.683 13.840 1.00 0.00 WATA H ATOM 8940 H2 TIP3A1713 28.856 -41.792 14.595 1.00 0.00 WATA H ATOM 8941 OH2 TIP3A1714 -47.502 -29.294 -7.413 1.00 0.00 WATA O ATOM 8942 H1 TIP3A1714 -46.963 -30.133 -7.341 1.00 0.00 WATA H ATOM 8943 H2 TIP3A1714 -46.974 -28.526 -7.051 1.00 0.00 WATA H ATOM 8944 OH2 TIP3A1715 -49.021 -48.524 -34.211 1.00 0.00 WATA O ATOM 8945 H1 TIP3A1715 -49.714 -48.534 -34.932 1.00 0.00 WATA H ATOM 8946 H2 TIP3A1715 -49.294 -49.145 -33.477 1.00 0.00 WATA H ATOM 8947 OH2 TIP3A1716 18.558 7.054 -27.203 1.00 0.00 WATA O ATOM 8948 H1 TIP3A1716 18.864 7.469 -28.060 1.00 0.00 WATA H ATOM 8949 H2 TIP3A1716 17.629 7.360 -26.997 1.00 0.00 WATA H ATOM 8950 OH2 TIP3A1717 -20.096 -38.784 -35.929 1.00 0.00 WATA O ATOM 8951 H1 TIP3A1717 -20.939 -38.249 -35.874 1.00 0.00 WATA H ATOM 8952 H2 TIP3A1717 -20.312 -39.721 -36.201 1.00 0.00 WATA H ATOM 8953 OH2 TIP3A1718 -29.042 50.152 -44.605 1.00 0.00 WATA O ATOM 8954 H1 TIP3A1718 -29.571 49.313 -44.475 1.00 0.00 WATA H ATOM 8955 H2 TIP3A1718 -28.067 49.934 -44.611 1.00 0.00 WATA H ATOM 8956 OH2 TIP3A1719 -38.764 25.051 -4.691 1.00 0.00 WATA O ATOM 8957 H1 TIP3A1719 -39.163 24.156 -4.893 1.00 0.00 WATA H ATOM 8958 H2 TIP3A1719 -39.300 25.502 -3.978 1.00 0.00 WATA H ATOM 8959 OH2 TIP3A1720 -2.174 51.970 -8.123 1.00 0.00 WATA O ATOM 8960 H1 TIP3A1720 -1.384 52.561 -7.959 1.00 0.00 WATA H ATOM 8961 H2 TIP3A1720 -2.642 51.791 -7.257 1.00 0.00 WATA H ATOM 8962 OH2 TIP3A1721 -13.665 -28.916 45.393 1.00 0.00 WATA O ATOM 8963 H1 TIP3A1721 -14.589 -28.883 45.773 1.00 0.00 WATA H ATOM 8964 H2 TIP3A1721 -13.699 -28.716 44.415 1.00 0.00 WATA H ATOM 8965 OH2 TIP3A1722 5.804 -37.835 -51.571 1.00 0.00 WATA O ATOM 8966 H1 TIP3A1722 6.240 -38.051 -52.445 1.00 0.00 WATA H ATOM 8967 H2 TIP3A1722 5.223 -38.598 -51.290 1.00 0.00 WATA H ATOM 8968 OH2 TIP3A1723 -11.101 7.268 -47.480 1.00 0.00 WATA O ATOM 8969 H1 TIP3A1723 -11.927 6.748 -47.260 1.00 0.00 WATA H ATOM 8970 H2 TIP3A1723 -11.357 8.139 -47.898 1.00 0.00 WATA H ATOM 8971 OH2 TIP3A1724 -52.147 26.126 -30.982 1.00 0.00 WATA O ATOM 8972 H1 TIP3A1724 -52.268 25.915 -30.011 1.00 0.00 WATA H ATOM 8973 H2 TIP3A1724 -51.302 26.644 -31.107 1.00 0.00 WATA H ATOM 8974 OH2 TIP3A1725 38.797 35.961 29.046 1.00 0.00 WATA O ATOM 8975 H1 TIP3A1725 37.986 36.534 28.926 1.00 0.00 WATA H ATOM 8976 H2 TIP3A1725 38.516 35.025 29.256 1.00 0.00 WATA H ATOM 8977 OH2 TIP3A1726 -29.861 11.647 19.386 1.00 0.00 WATA O ATOM 8978 H1 TIP3A1726 -29.786 12.610 19.123 1.00 0.00 WATA H ATOM 8979 H2 TIP3A1726 -28.947 11.266 19.520 1.00 0.00 WATA H ATOM 8980 OH2 TIP3A1727 8.609 16.841 -39.948 1.00 0.00 WATA O ATOM 8981 H1 TIP3A1727 8.195 16.235 -39.268 1.00 0.00 WATA H ATOM 8982 H2 TIP3A1727 8.997 17.640 -39.490 1.00 0.00 WATA H ATOM 8983 OH2 TIP3A1728 4.926 31.756 -51.465 1.00 0.00 WATA O ATOM 8984 H1 TIP3A1728 5.486 30.928 -51.461 1.00 0.00 WATA H ATOM 8985 H2 TIP3A1728 4.216 31.675 -52.164 1.00 0.00 WATA H ATOM 8986 OH2 TIP3A1729 8.322 28.793 45.053 1.00 0.00 WATA O ATOM 8987 H1 TIP3A1729 8.210 28.273 45.900 1.00 0.00 WATA H ATOM 8988 H2 TIP3A1729 8.936 28.300 44.437 1.00 0.00 WATA H ATOM 8989 OH2 TIP3A1730 39.794 35.994 -14.032 1.00 0.00 WATA O ATOM 8990 H1 TIP3A1730 38.815 36.159 -14.160 1.00 0.00 WATA H ATOM 8991 H2 TIP3A1730 40.119 36.512 -13.241 1.00 0.00 WATA H ATOM 8992 OH2 TIP3A1731 18.523 46.580 -26.911 1.00 0.00 WATA O ATOM 8993 H1 TIP3A1731 18.493 45.594 -27.076 1.00 0.00 WATA H ATOM 8994 H2 TIP3A1731 17.626 46.978 -27.101 1.00 0.00 WATA H ATOM 8995 OH2 TIP3A1732 -23.616 -11.748 -46.794 1.00 0.00 WATA O ATOM 8996 H1 TIP3A1732 -24.441 -11.786 -46.230 1.00 0.00 WATA H ATOM 8997 H2 TIP3A1732 -22.842 -11.455 -46.235 1.00 0.00 WATA H ATOM 8998 OH2 TIP3A1733 49.065 -7.550 35.456 1.00 0.00 WATA O ATOM 8999 H1 TIP3A1733 48.142 -7.185 35.581 1.00 0.00 WATA H ATOM 9000 H2 TIP3A1733 49.700 -6.798 35.283 1.00 0.00 WATA H ATOM 9001 OH2 TIP3A1734 52.636 10.125 -28.818 1.00 0.00 WATA O ATOM 9002 H1 TIP3A1734 53.345 10.642 -28.338 1.00 0.00 WATA H ATOM 9003 H2 TIP3A1734 52.825 10.133 -29.799 1.00 0.00 WATA H ATOM 9004 OH2 TIP3A1735 -38.657 46.819 33.540 1.00 0.00 WATA O ATOM 9005 H1 TIP3A1735 -37.936 46.179 33.806 1.00 0.00 WATA H ATOM 9006 H2 TIP3A1735 -39.437 46.310 33.178 1.00 0.00 WATA H ATOM 9007 OH2 TIP3A1736 23.585 -13.415 -16.502 1.00 0.00 WATA O ATOM 9008 H1 TIP3A1736 22.845 -12.911 -16.947 1.00 0.00 WATA H ATOM 9009 H2 TIP3A1736 23.275 -14.339 -16.282 1.00 0.00 WATA H ATOM 9010 OH2 TIP3A1737 -32.817 -19.944 39.996 1.00 0.00 WATA O ATOM 9011 H1 TIP3A1737 -32.218 -19.740 40.770 1.00 0.00 WATA H ATOM 9012 H2 TIP3A1737 -32.396 -19.614 39.152 1.00 0.00 WATA H ATOM 9013 OH2 TIP3A1738 -51.155 -40.947 -25.875 1.00 0.00 WATA O ATOM 9014 H1 TIP3A1738 -50.482 -41.526 -26.335 1.00 0.00 WATA H ATOM 9015 H2 TIP3A1738 -51.518 -41.426 -25.077 1.00 0.00 WATA H ATOM 9016 OH2 TIP3A1739 38.985 -5.526 26.820 1.00 0.00 WATA O ATOM 9017 H1 TIP3A1739 38.002 -5.621 26.661 1.00 0.00 WATA H ATOM 9018 H2 TIP3A1739 39.206 -4.565 26.980 1.00 0.00 WATA H ATOM 9019 OH2 TIP3A1740 -14.821 15.571 31.624 1.00 0.00 WATA O ATOM 9020 H1 TIP3A1740 -14.550 16.534 31.613 1.00 0.00 WATA H ATOM 9021 H2 TIP3A1740 -15.811 15.504 31.737 1.00 0.00 WATA H ATOM 9022 OH2 TIP3A1741 24.848 -44.536 -46.562 1.00 0.00 WATA O ATOM 9023 H1 TIP3A1741 25.249 -44.312 -45.673 1.00 0.00 WATA H ATOM 9024 H2 TIP3A1741 24.551 -43.696 -47.015 1.00 0.00 WATA H ATOM 9025 OH2 TIP3A1742 39.437 -5.451 -46.124 1.00 0.00 WATA O ATOM 9026 H1 TIP3A1742 40.010 -5.701 -45.344 1.00 0.00 WATA H ATOM 9027 H2 TIP3A1742 39.976 -5.498 -46.964 1.00 0.00 WATA H ATOM 9028 OH2 TIP3A1743 1.023 -50.718 -15.295 1.00 0.00 WATA O ATOM 9029 H1 TIP3A1743 1.274 -51.686 -15.294 1.00 0.00 WATA H ATOM 9030 H2 TIP3A1743 0.030 -50.630 -15.357 1.00 0.00 WATA H ATOM 9031 OH2 TIP3A1744 -52.964 14.778 -10.762 1.00 0.00 WATA O ATOM 9032 H1 TIP3A1744 -53.334 14.988 -9.857 1.00 0.00 WATA H ATOM 9033 H2 TIP3A1744 -53.344 15.412 -11.434 1.00 0.00 WATA H ATOM 9034 OH2 TIP3A1745 -46.503 5.123 19.817 1.00 0.00 WATA O ATOM 9035 H1 TIP3A1745 -46.247 6.059 19.577 1.00 0.00 WATA H ATOM 9036 H2 TIP3A1745 -45.683 4.553 19.862 1.00 0.00 WATA H ATOM 9037 OH2 TIP3A1746 15.640 -37.243 53.162 1.00 0.00 WATA O ATOM 9038 H1 TIP3A1746 16.366 -37.655 52.610 1.00 0.00 WATA H ATOM 9039 H2 TIP3A1746 14.872 -37.879 53.231 1.00 0.00 WATA H ATOM 9040 OH2 TIP3A1747 30.117 13.699 -29.964 1.00 0.00 WATA O ATOM 9041 H1 TIP3A1747 30.305 12.733 -29.784 1.00 0.00 WATA H ATOM 9042 H2 TIP3A1747 29.205 13.930 -29.626 1.00 0.00 WATA H ATOM 9043 OH2 TIP3A1748 -43.808 -5.774 -17.427 1.00 0.00 WATA O ATOM 9044 H1 TIP3A1748 -44.058 -6.338 -16.640 1.00 0.00 WATA H ATOM 9045 H2 TIP3A1748 -42.930 -6.081 -17.793 1.00 0.00 WATA H ATOM 9046 OH2 TIP3A1749 45.948 -9.897 -1.190 1.00 0.00 WATA O ATOM 9047 H1 TIP3A1749 46.916 -9.960 -0.944 1.00 0.00 WATA H ATOM 9048 H2 TIP3A1749 45.725 -8.952 -1.427 1.00 0.00 WATA H ATOM 9049 OH2 TIP3A1750 -38.156 -1.399 11.017 1.00 0.00 WATA O ATOM 9050 H1 TIP3A1750 -38.715 -0.812 11.603 1.00 0.00 WATA H ATOM 9051 H2 TIP3A1750 -38.337 -1.183 10.058 1.00 0.00 WATA H ATOM 9052 OH2 TIP3A1751 -19.957 3.784 16.140 1.00 0.00 WATA O ATOM 9053 H1 TIP3A1751 -19.747 4.761 16.118 1.00 0.00 WATA H ATOM 9054 H2 TIP3A1751 -20.947 3.656 16.178 1.00 0.00 WATA H ATOM 9055 OH2 TIP3A1752 -7.948 17.184 35.515 1.00 0.00 WATA O ATOM 9056 H1 TIP3A1752 -7.635 17.417 36.436 1.00 0.00 WATA H ATOM 9057 H2 TIP3A1752 -7.489 16.351 35.207 1.00 0.00 WATA H ATOM 9058 OH2 TIP3A1753 -47.997 48.291 -19.709 1.00 0.00 WATA O ATOM 9059 H1 TIP3A1753 -48.424 47.386 -19.699 1.00 0.00 WATA H ATOM 9060 H2 TIP3A1753 -48.707 48.994 -19.717 1.00 0.00 WATA H ATOM 9061 OH2 TIP3A1754 -14.084 -32.170 17.138 1.00 0.00 WATA O ATOM 9062 H1 TIP3A1754 -15.022 -32.383 17.414 1.00 0.00 WATA H ATOM 9063 H2 TIP3A1754 -13.931 -31.185 17.207 1.00 0.00 WATA H ATOM 9064 OH2 TIP3A1755 4.347 -29.288 3.800 1.00 0.00 WATA O ATOM 9065 H1 TIP3A1755 3.738 -30.078 3.868 1.00 0.00 WATA H ATOM 9066 H2 TIP3A1755 3.809 -28.468 3.610 1.00 0.00 WATA H ATOM 9067 OH2 TIP3A1756 -31.628 -21.829 -9.478 1.00 0.00 WATA O ATOM 9068 H1 TIP3A1756 -30.860 -21.247 -9.746 1.00 0.00 WATA H ATOM 9069 H2 TIP3A1756 -31.602 -21.982 -8.490 1.00 0.00 WATA H ATOM 9070 OH2 TIP3A1757 -33.130 -1.035 -23.695 1.00 0.00 WATA O ATOM 9071 H1 TIP3A1757 -34.120 -1.006 -23.835 1.00 0.00 WATA H ATOM 9072 H2 TIP3A1757 -32.904 -0.606 -22.821 1.00 0.00 WATA H ATOM 9073 OH2 TIP3A1758 31.992 -13.649 -35.311 1.00 0.00 WATA O ATOM 9074 H1 TIP3A1758 31.328 -12.903 -35.369 1.00 0.00 WATA H ATOM 9075 H2 TIP3A1758 32.810 -13.409 -35.831 1.00 0.00 WATA H ATOM 9076 OH2 TIP3A1759 6.058 -9.189 39.289 1.00 0.00 WATA O ATOM 9077 H1 TIP3A1759 5.239 -9.411 39.818 1.00 0.00 WATA H ATOM 9078 H2 TIP3A1759 6.864 -9.264 39.874 1.00 0.00 WATA H ATOM 9079 OH2 TIP3A1760 -39.464 -43.980 -44.795 1.00 0.00 WATA O ATOM 9080 H1 TIP3A1760 -40.330 -44.480 -44.789 1.00 0.00 WATA H ATOM 9081 H2 TIP3A1760 -39.640 -43.005 -44.670 1.00 0.00 WATA H ATOM 9082 OH2 TIP3A1761 -2.288 -30.022 -15.648 1.00 0.00 WATA O ATOM 9083 H1 TIP3A1761 -2.293 -30.927 -16.074 1.00 0.00 WATA H ATOM 9084 H2 TIP3A1761 -1.799 -30.067 -14.777 1.00 0.00 WATA H ATOM 9085 OH2 TIP3A1762 36.987 -22.091 -16.741 1.00 0.00 WATA O ATOM 9086 H1 TIP3A1762 37.847 -22.598 -16.674 1.00 0.00 WATA H ATOM 9087 H2 TIP3A1762 37.067 -21.390 -17.449 1.00 0.00 WATA H ATOM 9088 OH2 TIP3A1763 -1.840 23.799 -28.430 1.00 0.00 WATA O ATOM 9089 H1 TIP3A1763 -1.565 23.270 -29.233 1.00 0.00 WATA H ATOM 9090 H2 TIP3A1763 -1.341 24.665 -28.413 1.00 0.00 WATA H ATOM 9091 OH2 TIP3A1764 -4.664 31.886 -26.759 1.00 0.00 WATA O ATOM 9092 H1 TIP3A1764 -5.170 31.186 -27.263 1.00 0.00 WATA H ATOM 9093 H2 TIP3A1764 -4.555 31.599 -25.808 1.00 0.00 WATA H ATOM 9094 OH2 TIP3A1765 29.654 -52.775 17.563 1.00 0.00 WATA O ATOM 9095 H1 TIP3A1765 29.474 -51.822 17.808 1.00 0.00 WATA H ATOM 9096 H2 TIP3A1765 29.794 -53.312 18.394 1.00 0.00 WATA H ATOM 9097 OH2 TIP3A1766 8.169 -45.748 -48.594 1.00 0.00 WATA O ATOM 9098 H1 TIP3A1766 7.630 -46.591 -48.557 1.00 0.00 WATA H ATOM 9099 H2 TIP3A1766 9.140 -45.976 -48.657 1.00 0.00 WATA H ATOM 9100 OH2 TIP3A1767 47.027 -47.624 -9.393 1.00 0.00 WATA O ATOM 9101 H1 TIP3A1767 47.142 -46.788 -9.931 1.00 0.00 WATA H ATOM 9102 H2 TIP3A1767 47.002 -47.395 -8.421 1.00 0.00 WATA H ATOM 9103 OH2 TIP3A1768 -9.002 -46.784 16.755 1.00 0.00 WATA O ATOM 9104 H1 TIP3A1768 -8.038 -47.015 16.622 1.00 0.00 WATA H ATOM 9105 H2 TIP3A1768 -9.545 -47.622 16.787 1.00 0.00 WATA H ATOM 9106 OH2 TIP3A1769 21.711 45.151 26.774 1.00 0.00 WATA O ATOM 9107 H1 TIP3A1769 21.448 44.802 27.673 1.00 0.00 WATA H ATOM 9108 H2 TIP3A1769 22.368 44.527 26.352 1.00 0.00 WATA H ATOM 9109 OH2 TIP3A1770 -32.786 29.025 12.211 1.00 0.00 WATA O ATOM 9110 H1 TIP3A1770 -32.861 29.928 11.788 1.00 0.00 WATA H ATOM 9111 H2 TIP3A1770 -33.679 28.745 12.562 1.00 0.00 WATA H ATOM 9112 OH2 TIP3A1771 26.984 -5.730 36.075 1.00 0.00 WATA O ATOM 9113 H1 TIP3A1771 27.442 -6.618 36.049 1.00 0.00 WATA H ATOM 9114 H2 TIP3A1771 27.181 -5.228 35.234 1.00 0.00 WATA H ATOM 9115 OH2 TIP3A1772 42.057 25.998 -9.184 1.00 0.00 WATA O ATOM 9116 H1 TIP3A1772 42.013 26.780 -8.562 1.00 0.00 WATA H ATOM 9117 H2 TIP3A1772 41.705 25.184 -8.723 1.00 0.00 WATA H ATOM 9118 OH2 TIP3A1773 36.975 -17.790 3.196 1.00 0.00 WATA O ATOM 9119 H1 TIP3A1773 37.614 -18.001 2.456 1.00 0.00 WATA H ATOM 9120 H2 TIP3A1773 37.466 -17.343 3.943 1.00 0.00 WATA H ATOM 9121 OH2 TIP3A1774 51.958 -10.101 -26.644 1.00 0.00 WATA O ATOM 9122 H1 TIP3A1774 52.712 -10.476 -27.184 1.00 0.00 WATA H ATOM 9123 H2 TIP3A1774 51.968 -9.103 -26.706 1.00 0.00 WATA H ATOM 9124 OH2 TIP3A1775 50.134 -36.899 -31.265 1.00 0.00 WATA O ATOM 9125 H1 TIP3A1775 49.960 -37.884 -31.268 1.00 0.00 WATA H ATOM 9126 H2 TIP3A1775 49.265 -36.406 -31.296 1.00 0.00 WATA H ATOM 9127 OH2 TIP3A1776 -31.678 41.184 49.634 1.00 0.00 WATA O ATOM 9128 H1 TIP3A1776 -32.518 41.134 49.093 1.00 0.00 WATA H ATOM 9129 H2 TIP3A1776 -31.112 41.937 49.302 1.00 0.00 WATA H ATOM 9130 OH2 TIP3A1777 -35.412 -26.860 -32.852 1.00 0.00 WATA O ATOM 9131 H1 TIP3A1777 -34.711 -26.158 -32.726 1.00 0.00 WATA H ATOM 9132 H2 TIP3A1777 -36.318 -26.444 -32.778 1.00 0.00 WATA H ATOM 9133 OH2 TIP3A1778 47.534 -3.098 50.189 1.00 0.00 WATA O ATOM 9134 H1 TIP3A1778 47.351 -4.017 50.539 1.00 0.00 WATA H ATOM 9135 H2 TIP3A1778 46.895 -2.450 50.602 1.00 0.00 WATA H ATOM 9136 OH2 TIP3A1779 37.508 25.013 8.647 1.00 0.00 WATA O ATOM 9137 H1 TIP3A1779 36.528 24.812 8.644 1.00 0.00 WATA H ATOM 9138 H2 TIP3A1779 37.646 25.998 8.736 1.00 0.00 WATA H ATOM 9139 OH2 TIP3A1780 20.370 35.123 23.393 1.00 0.00 WATA O ATOM 9140 H1 TIP3A1780 19.919 35.966 23.098 1.00 0.00 WATA H ATOM 9141 H2 TIP3A1780 19.702 34.382 23.429 1.00 0.00 WATA H ATOM 9142 OH2 TIP3A1781 -41.782 41.391 14.748 1.00 0.00 WATA O ATOM 9143 H1 TIP3A1781 -40.963 41.040 15.201 1.00 0.00 WATA H ATOM 9144 H2 TIP3A1781 -42.593 40.963 15.146 1.00 0.00 WATA H ATOM 9145 OH2 TIP3A1782 -46.294 -0.227 11.399 1.00 0.00 WATA O ATOM 9146 H1 TIP3A1782 -45.848 0.650 11.577 1.00 0.00 WATA H ATOM 9147 H2 TIP3A1782 -45.602 -0.946 11.333 1.00 0.00 WATA H ATOM 9148 OH2 TIP3A1783 39.582 -11.113 41.490 1.00 0.00 WATA O ATOM 9149 H1 TIP3A1783 38.689 -10.746 41.225 1.00 0.00 WATA H ATOM 9150 H2 TIP3A1783 39.797 -10.827 42.423 1.00 0.00 WATA H ATOM 9151 OH2 TIP3A1784 37.280 -13.106 7.830 1.00 0.00 WATA O ATOM 9152 H1 TIP3A1784 36.314 -13.290 8.014 1.00 0.00 WATA H ATOM 9153 H2 TIP3A1784 37.599 -13.703 7.095 1.00 0.00 WATA H ATOM 9154 OH2 TIP3A1785 41.964 -5.413 -24.372 1.00 0.00 WATA O ATOM 9155 H1 TIP3A1785 41.512 -4.936 -23.618 1.00 0.00 WATA H ATOM 9156 H2 TIP3A1785 42.520 -4.765 -24.891 1.00 0.00 WATA H ATOM 9157 OH2 TIP3A1786 11.045 41.143 -45.735 1.00 0.00 WATA O ATOM 9158 H1 TIP3A1786 10.442 40.346 -45.788 1.00 0.00 WATA H ATOM 9159 H2 TIP3A1786 11.938 40.863 -45.384 1.00 0.00 WATA H ATOM 9160 OH2 TIP3A1787 44.844 -16.909 -13.913 1.00 0.00 WATA O ATOM 9161 H1 TIP3A1787 45.718 -17.051 -14.378 1.00 0.00 WATA H ATOM 9162 H2 TIP3A1787 44.691 -15.930 -13.782 1.00 0.00 WATA H ATOM 9163 OH2 TIP3A1788 23.062 37.273 -21.145 1.00 0.00 WATA O ATOM 9164 H1 TIP3A1788 23.467 36.972 -22.008 1.00 0.00 WATA H ATOM 9165 H2 TIP3A1788 23.508 36.801 -20.385 1.00 0.00 WATA H ATOM 9166 OH2 TIP3A1789 -4.687 26.051 48.947 1.00 0.00 WATA O ATOM 9167 H1 TIP3A1789 -5.331 26.813 48.882 1.00 0.00 WATA H ATOM 9168 H2 TIP3A1789 -3.752 26.404 48.963 1.00 0.00 WATA H ATOM 9169 OH2 TIP3A1790 -51.550 17.752 -47.876 1.00 0.00 WATA O ATOM 9170 H1 TIP3A1790 -51.695 16.769 -47.764 1.00 0.00 WATA H ATOM 9171 H2 TIP3A1790 -52.405 18.185 -48.160 1.00 0.00 WATA H ATOM 9172 OH2 TIP3A1791 22.691 -21.967 -12.938 1.00 0.00 WATA O ATOM 9173 H1 TIP3A1791 23.534 -21.685 -12.480 1.00 0.00 WATA H ATOM 9174 H2 TIP3A1791 22.916 -22.487 -13.761 1.00 0.00 WATA H ATOM 9175 OH2 TIP3A1792 47.917 2.161 -27.252 1.00 0.00 WATA O ATOM 9176 H1 TIP3A1792 48.896 2.235 -27.445 1.00 0.00 WATA H ATOM 9177 H2 TIP3A1792 47.696 1.219 -27.000 1.00 0.00 WATA H ATOM 9178 OH2 TIP3A1793 5.047 16.749 -43.396 1.00 0.00 WATA O ATOM 9179 H1 TIP3A1793 4.180 16.373 -43.067 1.00 0.00 WATA H ATOM 9180 H2 TIP3A1793 5.718 16.014 -43.482 1.00 0.00 WATA H ATOM 9181 OH2 TIP3A1794 -41.594 -31.538 -11.412 1.00 0.00 WATA O ATOM 9182 H1 TIP3A1794 -42.275 -30.917 -11.801 1.00 0.00 WATA H ATOM 9183 H2 TIP3A1794 -40.732 -31.440 -11.907 1.00 0.00 WATA H ATOM 9184 OH2 TIP3A1795 3.095 50.570 -40.779 1.00 0.00 WATA O ATOM 9185 H1 TIP3A1795 3.694 50.661 -39.983 1.00 0.00 WATA H ATOM 9186 H2 TIP3A1795 3.014 51.454 -41.238 1.00 0.00 WATA H ATOM 9187 OH2 TIP3A1796 -10.932 29.370 36.320 1.00 0.00 WATA O ATOM 9188 H1 TIP3A1796 -10.912 29.063 37.271 1.00 0.00 WATA H ATOM 9189 H2 TIP3A1796 -10.168 28.963 35.821 1.00 0.00 WATA H ATOM 9190 OH2 TIP3A1797 -18.862 1.995 -39.499 1.00 0.00 WATA O ATOM 9191 H1 TIP3A1797 -19.329 2.856 -39.298 1.00 0.00 WATA H ATOM 9192 H2 TIP3A1797 -19.531 1.316 -39.801 1.00 0.00 WATA H ATOM 9193 OH2 TIP3A1798 -31.574 -46.020 3.266 1.00 0.00 WATA O ATOM 9194 H1 TIP3A1798 -32.404 -45.913 2.719 1.00 0.00 WATA H ATOM 9195 H2 TIP3A1798 -31.429 -46.989 3.468 1.00 0.00 WATA H ATOM 9196 OH2 TIP3A1799 29.282 44.257 -0.014 1.00 0.00 WATA O ATOM 9197 H1 TIP3A1799 28.445 44.300 -0.560 1.00 0.00 WATA H ATOM 9198 H2 TIP3A1799 29.392 45.110 0.494 1.00 0.00 WATA H ATOM 9199 OH2 TIP3A1800 35.223 11.651 33.599 1.00 0.00 WATA O ATOM 9200 H1 TIP3A1800 36.194 11.808 33.777 1.00 0.00 WATA H ATOM 9201 H2 TIP3A1800 34.679 12.078 34.321 1.00 0.00 WATA H ATOM 9202 OH2 TIP3A1801 -11.802 30.822 33.747 1.00 0.00 WATA O ATOM 9203 H1 TIP3A1801 -12.069 31.742 34.034 1.00 0.00 WATA H ATOM 9204 H2 TIP3A1801 -10.892 30.613 34.103 1.00 0.00 WATA H ATOM 9205 OH2 TIP3A1802 51.764 -39.645 -31.749 1.00 0.00 WATA O ATOM 9206 H1 TIP3A1802 50.863 -39.887 -31.389 1.00 0.00 WATA H ATOM 9207 H2 TIP3A1802 51.700 -38.790 -32.263 1.00 0.00 WATA H ATOM 9208 OH2 TIP3A1803 -49.678 9.861 -51.860 1.00 0.00 WATA O ATOM 9209 H1 TIP3A1803 -49.606 10.794 -51.506 1.00 0.00 WATA H ATOM 9210 H2 TIP3A1803 -49.700 9.884 -52.859 1.00 0.00 WATA H ATOM 9211 OH2 TIP3A1804 -46.119 43.850 -32.286 1.00 0.00 WATA O ATOM 9212 H1 TIP3A1804 -46.524 43.933 -31.375 1.00 0.00 WATA H ATOM 9213 H2 TIP3A1804 -46.829 43.606 -32.946 1.00 0.00 WATA H ATOM 9214 OH2 TIP3A1805 23.333 -45.200 49.667 1.00 0.00 WATA O ATOM 9215 H1 TIP3A1805 22.810 -44.767 48.933 1.00 0.00 WATA H ATOM 9216 H2 TIP3A1805 24.090 -45.721 49.275 1.00 0.00 WATA H ATOM 9217 OH2 TIP3A1806 -47.386 -30.042 21.680 1.00 0.00 WATA O ATOM 9218 H1 TIP3A1806 -47.376 -30.351 22.632 1.00 0.00 WATA H ATOM 9219 H2 TIP3A1806 -47.848 -29.157 21.622 1.00 0.00 WATA H ATOM 9220 OH2 TIP3A1807 -7.523 -42.081 -46.257 1.00 0.00 WATA O ATOM 9221 H1 TIP3A1807 -6.744 -42.381 -45.706 1.00 0.00 WATA H ATOM 9222 H2 TIP3A1807 -8.345 -42.059 -45.689 1.00 0.00 WATA H ATOM 9223 OH2 TIP3A1808 45.981 -53.173 -16.185 1.00 0.00 WATA O ATOM 9224 H1 TIP3A1808 46.501 -52.726 -15.457 1.00 0.00 WATA H ATOM 9225 H2 TIP3A1808 46.580 -53.345 -16.966 1.00 0.00 WATA H ATOM 9226 OH2 TIP3A1809 22.591 -11.067 -38.569 1.00 0.00 WATA O ATOM 9227 H1 TIP3A1809 22.931 -10.140 -38.731 1.00 0.00 WATA H ATOM 9228 H2 TIP3A1809 22.007 -11.071 -37.759 1.00 0.00 WATA H ATOM 9229 OH2 TIP3A1810 -9.184 14.556 -46.963 1.00 0.00 WATA O ATOM 9230 H1 TIP3A1810 -9.507 13.786 -46.411 1.00 0.00 WATA H ATOM 9231 H2 TIP3A1810 -8.436 14.254 -47.553 1.00 0.00 WATA H ATOM 9232 OH2 TIP3A1811 4.177 -52.484 -7.158 1.00 0.00 WATA O ATOM 9233 H1 TIP3A1811 4.186 -52.182 -6.205 1.00 0.00 WATA H ATOM 9234 H2 TIP3A1811 3.355 -52.139 -7.609 1.00 0.00 WATA H ATOM 9235 OH2 TIP3A1812 -42.689 -5.153 -48.943 1.00 0.00 WATA O ATOM 9236 H1 TIP3A1812 -42.162 -4.392 -48.562 1.00 0.00 WATA H ATOM 9237 H2 TIP3A1812 -43.627 -4.855 -49.117 1.00 0.00 WATA H ATOM 9238 OH2 TIP3A1813 44.986 24.042 -32.632 1.00 0.00 WATA O ATOM 9239 H1 TIP3A1813 44.491 23.176 -32.560 1.00 0.00 WATA H ATOM 9240 H2 TIP3A1813 45.927 23.866 -32.920 1.00 0.00 WATA H ATOM 9241 OH2 TIP3A1814 -47.876 -13.439 48.740 1.00 0.00 WATA O ATOM 9242 H1 TIP3A1814 -47.704 -14.407 48.557 1.00 0.00 WATA H ATOM 9243 H2 TIP3A1814 -47.390 -13.164 49.568 1.00 0.00 WATA H ATOM 9244 OH2 TIP3A1815 23.446 -45.296 1.096 1.00 0.00 WATA O ATOM 9245 H1 TIP3A1815 24.185 -44.622 1.062 1.00 0.00 WATA H ATOM 9246 H2 TIP3A1815 23.835 -46.214 1.160 1.00 0.00 WATA H ATOM 9247 OH2 TIP3A1816 36.211 -31.886 -31.024 1.00 0.00 WATA O ATOM 9248 H1 TIP3A1816 36.113 -31.655 -31.992 1.00 0.00 WATA H ATOM 9249 H2 TIP3A1816 35.987 -32.850 -30.886 1.00 0.00 WATA H ATOM 9250 OH2 TIP3A1817 -26.140 -1.455 35.943 1.00 0.00 WATA O ATOM 9251 H1 TIP3A1817 -25.909 -0.875 36.724 1.00 0.00 WATA H ATOM 9252 H2 TIP3A1817 -25.340 -1.553 35.351 1.00 0.00 WATA H ATOM 9253 OH2 TIP3A1818 29.038 19.612 -29.348 1.00 0.00 WATA O ATOM 9254 H1 TIP3A1818 28.951 20.566 -29.637 1.00 0.00 WATA H ATOM 9255 H2 TIP3A1818 28.572 19.021 -30.005 1.00 0.00 WATA H ATOM 9256 OH2 TIP3A1819 49.678 41.924 -32.668 1.00 0.00 WATA O ATOM 9257 H1 TIP3A1819 48.792 42.241 -32.329 1.00 0.00 WATA H ATOM 9258 H2 TIP3A1819 49.588 40.990 -33.013 1.00 0.00 WATA H ATOM 9259 OH2 TIP3A1820 15.088 -52.323 50.388 1.00 0.00 WATA O ATOM 9260 H1 TIP3A1820 14.311 -52.496 49.781 1.00 0.00 WATA H ATOM 9261 H2 TIP3A1820 14.761 -51.921 51.242 1.00 0.00 WATA H ATOM 9262 OH2 TIP3A1821 -52.618 32.967 13.599 1.00 0.00 WATA O ATOM 9263 H1 TIP3A1821 -52.464 33.927 13.363 1.00 0.00 WATA H ATOM 9264 H2 TIP3A1821 -51.774 32.450 13.462 1.00 0.00 WATA H ATOM 9265 OH2 TIP3A1822 7.616 38.288 -44.060 1.00 0.00 WATA O ATOM 9266 H1 TIP3A1822 7.175 37.713 -44.750 1.00 0.00 WATA H ATOM 9267 H2 TIP3A1822 8.530 38.544 -44.373 1.00 0.00 WATA H ATOM 9268 OH2 TIP3A1823 -16.797 -17.199 31.405 1.00 0.00 WATA O ATOM 9269 H1 TIP3A1823 -16.992 -18.090 30.995 1.00 0.00 WATA H ATOM 9270 H2 TIP3A1823 -16.007 -16.789 30.951 1.00 0.00 WATA H ATOM 9271 OH2 TIP3A1824 38.924 51.802 -10.823 1.00 0.00 WATA O ATOM 9272 H1 TIP3A1824 38.226 51.914 -11.531 1.00 0.00 WATA H ATOM 9273 H2 TIP3A1824 39.737 51.379 -11.220 1.00 0.00 WATA H ATOM 9274 OH2 TIP3A1825 -14.178 -6.371 -30.651 1.00 0.00 WATA O ATOM 9275 H1 TIP3A1825 -14.522 -7.309 -30.605 1.00 0.00 WATA H ATOM 9276 H2 TIP3A1825 -14.941 -5.731 -30.566 1.00 0.00 WATA H ATOM 9277 OH2 TIP3A1826 -17.505 -50.167 -20.118 1.00 0.00 WATA O ATOM 9278 H1 TIP3A1826 -16.937 -49.417 -19.779 1.00 0.00 WATA H ATOM 9279 H2 TIP3A1826 -16.988 -50.699 -20.789 1.00 0.00 WATA H ATOM 9280 OH2 TIP3A1827 -8.552 21.503 -36.623 1.00 0.00 WATA O ATOM 9281 H1 TIP3A1827 -9.367 20.923 -36.645 1.00 0.00 WATA H ATOM 9282 H2 TIP3A1827 -8.823 22.454 -36.483 1.00 0.00 WATA H ATOM 9283 OH2 TIP3A1828 -0.954 -26.491 -9.484 1.00 0.00 WATA O ATOM 9284 H1 TIP3A1828 -0.237 -26.758 -8.839 1.00 0.00 WATA H ATOM 9285 H2 TIP3A1828 -0.848 -25.525 -9.719 1.00 0.00 WATA H ATOM 9286 OH2 TIP3A1829 -50.602 13.089 9.916 1.00 0.00 WATA O ATOM 9287 H1 TIP3A1829 -49.675 12.842 9.633 1.00 0.00 WATA H ATOM 9288 H2 TIP3A1829 -50.635 13.171 10.912 1.00 0.00 WATA H ATOM 9289 OH2 TIP3A1830 38.702 -53.011 23.268 1.00 0.00 WATA O ATOM 9290 H1 TIP3A1830 38.762 -52.469 24.107 1.00 0.00 WATA H ATOM 9291 H2 TIP3A1830 37.941 -52.681 22.711 1.00 0.00 WATA H ATOM 9292 OH2 TIP3A1831 -19.358 -11.828 32.450 1.00 0.00 WATA O ATOM 9293 H1 TIP3A1831 -20.262 -12.219 32.277 1.00 0.00 WATA H ATOM 9294 H2 TIP3A1831 -18.782 -12.508 32.903 1.00 0.00 WATA H ATOM 9295 OH2 TIP3A1832 10.510 -36.311 32.123 1.00 0.00 WATA O ATOM 9296 H1 TIP3A1832 10.557 -37.134 32.689 1.00 0.00 WATA H ATOM 9297 H2 TIP3A1832 9.609 -36.252 31.694 1.00 0.00 WATA H ATOM 9298 OH2 TIP3A1833 31.388 11.287 0.134 1.00 0.00 WATA O ATOM 9299 H1 TIP3A1833 30.838 11.848 -0.486 1.00 0.00 WATA H ATOM 9300 H2 TIP3A1833 32.350 11.343 -0.131 1.00 0.00 WATA H ATOM 9301 OH2 TIP3A1834 14.184 13.659 28.789 1.00 0.00 WATA O ATOM 9302 H1 TIP3A1834 15.003 14.192 28.998 1.00 0.00 WATA H ATOM 9303 H2 TIP3A1834 14.390 12.684 28.870 1.00 0.00 WATA H ATOM 9304 OH2 TIP3A1835 28.870 -53.257 -1.165 1.00 0.00 WATA O ATOM 9305 H1 TIP3A1835 28.422 -52.382 -0.979 1.00 0.00 WATA H ATOM 9306 H2 TIP3A1835 29.442 -53.172 -1.980 1.00 0.00 WATA H ATOM 9307 OH2 TIP3A1836 -22.863 -36.605 27.109 1.00 0.00 WATA O ATOM 9308 H1 TIP3A1836 -22.947 -36.345 28.071 1.00 0.00 WATA H ATOM 9309 H2 TIP3A1836 -23.587 -36.163 26.580 1.00 0.00 WATA H ATOM 9310 OH2 TIP3A1837 -7.598 44.410 -39.904 1.00 0.00 WATA O ATOM 9311 H1 TIP3A1837 -7.049 43.577 -39.837 1.00 0.00 WATA H ATOM 9312 H2 TIP3A1837 -8.450 44.210 -40.386 1.00 0.00 WATA H ATOM 9313 OH2 TIP3A1838 25.490 49.058 37.856 1.00 0.00 WATA O ATOM 9314 H1 TIP3A1838 26.347 49.549 37.698 1.00 0.00 WATA H ATOM 9315 H2 TIP3A1838 25.565 48.517 38.692 1.00 0.00 WATA H ATOM 9316 OH2 TIP3A1839 -43.639 8.242 -19.171 1.00 0.00 WATA O ATOM 9317 H1 TIP3A1839 -44.010 7.316 -19.240 1.00 0.00 WATA H ATOM 9318 H2 TIP3A1839 -44.388 8.904 -19.194 1.00 0.00 WATA H ATOM 9319 OH2 TIP3A1840 23.982 -2.410 -34.681 1.00 0.00 WATA O ATOM 9320 H1 TIP3A1840 24.850 -2.019 -34.373 1.00 0.00 WATA H ATOM 9321 H2 TIP3A1840 24.150 -3.035 -35.443 1.00 0.00 WATA H ATOM 9322 OH2 TIP3A1841 44.619 9.377 -15.843 1.00 0.00 WATA O ATOM 9323 H1 TIP3A1841 44.837 10.353 -15.862 1.00 0.00 WATA H ATOM 9324 H2 TIP3A1841 43.627 9.257 -15.861 1.00 0.00 WATA H ATOM 9325 OH2 TIP3A1842 -11.964 -29.164 -4.218 1.00 0.00 WATA O ATOM 9326 H1 TIP3A1842 -12.836 -29.180 -3.727 1.00 0.00 WATA H ATOM 9327 H2 TIP3A1842 -11.246 -29.540 -3.634 1.00 0.00 WATA H ATOM 9328 OH2 TIP3A1843 -30.555 -42.954 13.634 1.00 0.00 WATA O ATOM 9329 H1 TIP3A1843 -31.129 -42.157 13.821 1.00 0.00 WATA H ATOM 9330 H2 TIP3A1843 -29.625 -42.654 13.428 1.00 0.00 WATA H ATOM 9331 OH2 TIP3A1844 -24.956 -12.075 30.503 1.00 0.00 WATA O ATOM 9332 H1 TIP3A1844 -24.741 -12.688 29.743 1.00 0.00 WATA H ATOM 9333 H2 TIP3A1844 -24.266 -12.176 31.219 1.00 0.00 WATA H ATOM 9334 OH2 TIP3A1845 -37.983 -37.138 -19.222 1.00 0.00 WATA O ATOM 9335 H1 TIP3A1845 -38.054 -38.006 -19.712 1.00 0.00 WATA H ATOM 9336 H2 TIP3A1845 -38.896 -36.750 -19.095 1.00 0.00 WATA H ATOM 9337 OH2 TIP3A1846 44.219 41.059 20.756 1.00 0.00 WATA O ATOM 9338 H1 TIP3A1846 44.673 41.916 20.511 1.00 0.00 WATA H ATOM 9339 H2 TIP3A1846 43.367 40.974 20.240 1.00 0.00 WATA H ATOM 9340 OH2 TIP3A1847 47.928 -26.320 -40.047 1.00 0.00 WATA O ATOM 9341 H1 TIP3A1847 47.451 -26.651 -40.861 1.00 0.00 WATA H ATOM 9342 H2 TIP3A1847 48.066 -27.078 -39.410 1.00 0.00 WATA H ATOM 9343 OH2 TIP3A1848 -52.176 31.436 39.863 1.00 0.00 WATA O ATOM 9344 H1 TIP3A1848 -52.158 32.182 40.529 1.00 0.00 WATA H ATOM 9345 H2 TIP3A1848 -52.841 30.747 40.151 1.00 0.00 WATA H ATOM 9346 OH2 TIP3A1849 52.663 -44.731 15.100 1.00 0.00 WATA O ATOM 9347 H1 TIP3A1849 53.345 -44.004 15.020 1.00 0.00 WATA H ATOM 9348 H2 TIP3A1849 53.124 -45.613 15.188 1.00 0.00 WATA H ATOM 9349 OH2 TIP3A1850 0.304 32.148 -13.544 1.00 0.00 WATA O ATOM 9350 H1 TIP3A1850 1.053 31.497 -13.668 1.00 0.00 WATA H ATOM 9351 H2 TIP3A1850 0.016 32.500 -14.434 1.00 0.00 WATA H ATOM 9352 OH2 TIP3A1851 37.310 -35.885 36.765 1.00 0.00 WATA O ATOM 9353 H1 TIP3A1851 37.624 -34.978 37.045 1.00 0.00 WATA H ATOM 9354 H2 TIP3A1851 36.382 -36.036 37.102 1.00 0.00 WATA H ATOM 9355 OH2 TIP3A1852 -2.192 -39.174 -15.631 1.00 0.00 WATA O ATOM 9356 H1 TIP3A1852 -2.181 -38.451 -14.940 1.00 0.00 WATA H ATOM 9357 H2 TIP3A1852 -1.260 -39.493 -15.795 1.00 0.00 WATA H ATOM 9358 OH2 TIP3A1853 49.228 26.316 19.063 1.00 0.00 WATA O ATOM 9359 H1 TIP3A1853 49.224 26.608 20.020 1.00 0.00 WATA H ATOM 9360 H2 TIP3A1853 49.203 27.119 18.469 1.00 0.00 WATA H ATOM 9361 OH2 TIP3A1854 -48.409 4.616 -19.918 1.00 0.00 WATA O ATOM 9362 H1 TIP3A1854 -49.315 4.634 -19.495 1.00 0.00 WATA H ATOM 9363 H2 TIP3A1854 -48.422 4.005 -20.710 1.00 0.00 WATA H ATOM 9364 OH2 TIP3A1855 -41.220 -45.501 27.331 1.00 0.00 WATA O ATOM 9365 H1 TIP3A1855 -41.416 -44.522 27.391 1.00 0.00 WATA H ATOM 9366 H2 TIP3A1855 -40.230 -45.644 27.336 1.00 0.00 WATA H ATOM 9367 OH2 TIP3A1856 -24.418 1.973 33.489 1.00 0.00 WATA O ATOM 9368 H1 TIP3A1856 -24.933 2.203 34.315 1.00 0.00 WATA H ATOM 9369 H2 TIP3A1856 -23.984 1.080 33.603 1.00 0.00 WATA H ATOM 9370 OH2 TIP3A1857 -17.496 46.802 -13.679 1.00 0.00 WATA O ATOM 9371 H1 TIP3A1857 -17.775 46.593 -12.742 1.00 0.00 WATA H ATOM 9372 H2 TIP3A1857 -18.134 46.377 -14.320 1.00 0.00 WATA H ATOM 9373 OH2 TIP3A1858 26.520 14.992 -51.726 1.00 0.00 WATA O ATOM 9374 H1 TIP3A1858 26.046 15.238 -52.571 1.00 0.00 WATA H ATOM 9375 H2 TIP3A1858 26.133 14.147 -51.359 1.00 0.00 WATA H ATOM 9376 OH2 TIP3A1859 -39.157 10.733 -31.164 1.00 0.00 WATA O ATOM 9377 H1 TIP3A1859 -38.163 10.730 -31.274 1.00 0.00 WATA H ATOM 9378 H2 TIP3A1859 -39.524 11.612 -31.468 1.00 0.00 WATA H ATOM 9379 OH2 TIP3A1860 -19.716 19.155 41.994 1.00 0.00 WATA O ATOM 9380 H1 TIP3A1860 -19.169 18.888 41.200 1.00 0.00 WATA H ATOM 9381 H2 TIP3A1860 -19.647 18.451 42.699 1.00 0.00 WATA H ATOM 9382 OH2 TIP3A1861 22.233 51.291 10.842 1.00 0.00 WATA O ATOM 9383 H1 TIP3A1861 23.143 51.116 11.217 1.00 0.00 WATA H ATOM 9384 H2 TIP3A1861 21.542 50.878 11.435 1.00 0.00 WATA H ATOM 9385 OH2 TIP3A1862 31.821 20.425 -18.982 1.00 0.00 WATA O ATOM 9386 H1 TIP3A1862 32.731 20.841 -19.000 1.00 0.00 WATA H ATOM 9387 H2 TIP3A1862 31.907 19.439 -18.844 1.00 0.00 WATA H ATOM 9388 OH2 TIP3A1863 -41.831 -45.550 35.503 1.00 0.00 WATA O ATOM 9389 H1 TIP3A1863 -41.443 -44.812 34.950 1.00 0.00 WATA H ATOM 9390 H2 TIP3A1863 -41.094 -46.115 35.871 1.00 0.00 WATA H ATOM 9391 OH2 TIP3A1864 48.280 -43.203 14.495 1.00 0.00 WATA O ATOM 9392 H1 TIP3A1864 47.528 -43.043 13.855 1.00 0.00 WATA H ATOM 9393 H2 TIP3A1864 48.172 -44.102 14.919 1.00 0.00 WATA H ATOM 9394 OH2 TIP3A1865 -14.773 -35.310 -48.714 1.00 0.00 WATA O ATOM 9395 H1 TIP3A1865 -14.696 -35.246 -47.719 1.00 0.00 WATA H ATOM 9396 H2 TIP3A1865 -14.519 -36.230 -49.011 1.00 0.00 WATA H ATOM 9397 OH2 TIP3A1866 9.649 0.436 -47.922 1.00 0.00 WATA O ATOM 9398 H1 TIP3A1866 10.099 0.136 -48.763 1.00 0.00 WATA H ATOM 9399 H2 TIP3A1866 9.391 -0.363 -47.379 1.00 0.00 WATA H ATOM 9400 OH2 TIP3A1867 -38.630 -17.916 -18.825 1.00 0.00 WATA O ATOM 9401 H1 TIP3A1867 -38.981 -17.032 -18.514 1.00 0.00 WATA H ATOM 9402 H2 TIP3A1867 -37.778 -17.777 -19.329 1.00 0.00 WATA H ATOM 9403 OH2 TIP3A1868 16.286 10.954 -51.668 1.00 0.00 WATA O ATOM 9404 H1 TIP3A1868 15.479 10.558 -52.105 1.00 0.00 WATA H ATOM 9405 H2 TIP3A1868 16.014 11.740 -51.113 1.00 0.00 WATA H ATOM 9406 OH2 TIP3A1869 -42.513 27.082 41.806 1.00 0.00 WATA O ATOM 9407 H1 TIP3A1869 -43.427 26.729 42.007 1.00 0.00 WATA H ATOM 9408 H2 TIP3A1869 -42.568 28.060 41.608 1.00 0.00 WATA H ATOM 9409 OH2 TIP3A1870 -2.315 -43.807 3.668 1.00 0.00 WATA O ATOM 9410 H1 TIP3A1870 -3.150 -43.320 3.924 1.00 0.00 WATA H ATOM 9411 H2 TIP3A1870 -2.455 -44.791 3.778 1.00 0.00 WATA H ATOM 9412 OH2 TIP3A1871 -20.235 -46.354 -47.915 1.00 0.00 WATA O ATOM 9413 H1 TIP3A1871 -20.846 -45.980 -48.614 1.00 0.00 WATA H ATOM 9414 H2 TIP3A1871 -20.539 -47.271 -47.663 1.00 0.00 WATA H ATOM 9415 OH2 TIP3A1872 1.329 36.649 -10.261 1.00 0.00 WATA O ATOM 9416 H1 TIP3A1872 1.767 35.878 -10.724 1.00 0.00 WATA H ATOM 9417 H2 TIP3A1872 0.338 36.585 -10.372 1.00 0.00 WATA H ATOM 9418 OH2 TIP3A1873 47.606 27.042 -9.910 1.00 0.00 WATA O ATOM 9419 H1 TIP3A1873 46.863 27.159 -10.569 1.00 0.00 WATA H ATOM 9420 H2 TIP3A1873 47.245 27.124 -8.982 1.00 0.00 WATA H ATOM 9421 OH2 TIP3A1874 -35.787 -21.412 -29.925 1.00 0.00 WATA O ATOM 9422 H1 TIP3A1874 -36.112 -22.331 -30.150 1.00 0.00 WATA H ATOM 9423 H2 TIP3A1874 -36.079 -20.772 -30.635 1.00 0.00 WATA H ATOM 9424 OH2 TIP3A1875 33.255 48.147 6.694 1.00 0.00 WATA O ATOM 9425 H1 TIP3A1875 33.306 47.486 7.443 1.00 0.00 WATA H ATOM 9426 H2 TIP3A1875 33.839 48.931 6.899 1.00 0.00 WATA H ATOM 9427 OH2 TIP3A1876 -44.270 -45.937 7.887 1.00 0.00 WATA O ATOM 9428 H1 TIP3A1876 -45.212 -46.226 8.056 1.00 0.00 WATA H ATOM 9429 H2 TIP3A1876 -43.644 -46.676 8.135 1.00 0.00 WATA H ATOM 9430 OH2 TIP3A1877 3.915 52.672 37.198 1.00 0.00 WATA O ATOM 9431 H1 TIP3A1877 3.119 52.524 36.612 1.00 0.00 WATA H ATOM 9432 H2 TIP3A1877 4.507 51.867 37.168 1.00 0.00 WATA H ATOM 9433 OH2 TIP3A1878 18.042 -15.816 28.499 1.00 0.00 WATA O ATOM 9434 H1 TIP3A1878 18.510 -14.932 28.500 1.00 0.00 WATA H ATOM 9435 H2 TIP3A1878 18.718 -16.552 28.516 1.00 0.00 WATA H ATOM 9436 OH2 TIP3A1879 -2.381 -35.233 -22.017 1.00 0.00 WATA O ATOM 9437 H1 TIP3A1879 -1.642 -35.817 -22.354 1.00 0.00 WATA H ATOM 9438 H2 TIP3A1879 -2.026 -34.315 -21.841 1.00 0.00 WATA H ATOM 9439 OH2 TIP3A1880 25.102 26.940 -49.932 1.00 0.00 WATA O ATOM 9440 H1 TIP3A1880 24.632 27.432 -49.199 1.00 0.00 WATA H ATOM 9441 H2 TIP3A1880 25.873 27.485 -50.259 1.00 0.00 WATA H ATOM 9442 OH2 TIP3A1881 47.732 33.599 33.410 1.00 0.00 WATA O ATOM 9443 H1 TIP3A1881 46.742 33.649 33.278 1.00 0.00 WATA H ATOM 9444 H2 TIP3A1881 48.173 33.375 32.541 1.00 0.00 WATA H ATOM 9445 OH2 TIP3A1882 43.596 24.034 -51.553 1.00 0.00 WATA O ATOM 9446 H1 TIP3A1882 44.115 24.869 -51.739 1.00 0.00 WATA H ATOM 9447 H2 TIP3A1882 44.229 23.274 -51.409 1.00 0.00 WATA H ATOM 9448 OH2 TIP3A1883 -44.554 6.163 24.027 1.00 0.00 WATA O ATOM 9449 H1 TIP3A1883 -43.653 6.198 23.595 1.00 0.00 WATA H ATOM 9450 H2 TIP3A1883 -44.566 6.768 24.823 1.00 0.00 WATA H ATOM 9451 OH2 TIP3A1884 4.778 -33.336 40.568 1.00 0.00 WATA O ATOM 9452 H1 TIP3A1884 5.282 -33.406 39.707 1.00 0.00 WATA H ATOM 9453 H2 TIP3A1884 5.409 -33.446 41.335 1.00 0.00 WATA H ATOM 9454 OH2 TIP3A1885 50.352 -3.463 -6.234 1.00 0.00 WATA O ATOM 9455 H1 TIP3A1885 49.527 -4.016 -6.119 1.00 0.00 WATA H ATOM 9456 H2 TIP3A1885 51.152 -4.060 -6.273 1.00 0.00 WATA H ATOM 9457 OH2 TIP3A1886 -37.157 42.294 52.104 1.00 0.00 WATA O ATOM 9458 H1 TIP3A1886 -36.762 41.572 51.536 1.00 0.00 WATA H ATOM 9459 H2 TIP3A1886 -36.895 43.187 51.738 1.00 0.00 WATA H ATOM 9460 OH2 TIP3A1887 36.504 -5.977 -41.552 1.00 0.00 WATA O ATOM 9461 H1 TIP3A1887 36.312 -5.030 -41.294 1.00 0.00 WATA H ATOM 9462 H2 TIP3A1887 37.153 -6.374 -40.903 1.00 0.00 WATA H ATOM 9463 OH2 TIP3A1888 -49.961 -23.059 -15.688 1.00 0.00 WATA O ATOM 9464 H1 TIP3A1888 -49.251 -22.357 -15.748 1.00 0.00 WATA H ATOM 9465 H2 TIP3A1888 -50.849 -22.654 -15.903 1.00 0.00 WATA H ATOM 9466 OH2 TIP3A1889 -33.164 -6.110 -14.977 1.00 0.00 WATA O ATOM 9467 H1 TIP3A1889 -33.596 -6.126 -14.075 1.00 0.00 WATA H ATOM 9468 H2 TIP3A1889 -32.176 -5.998 -14.871 1.00 0.00 WATA H ATOM 9469 OH2 TIP3A1890 16.081 52.486 49.831 1.00 0.00 WATA O ATOM 9470 H1 TIP3A1890 16.554 53.345 50.027 1.00 0.00 WATA H ATOM 9471 H2 TIP3A1890 15.846 52.031 50.690 1.00 0.00 WATA H ATOM 9472 OH2 TIP3A1891 20.809 -43.032 -16.150 1.00 0.00 WATA O ATOM 9473 H1 TIP3A1891 20.635 -43.607 -16.950 1.00 0.00 WATA H ATOM 9474 H2 TIP3A1891 21.708 -42.603 -16.237 1.00 0.00 WATA H ATOM 9475 OH2 TIP3A1892 -21.454 2.443 50.354 1.00 0.00 WATA O ATOM 9476 H1 TIP3A1892 -21.118 1.525 50.143 1.00 0.00 WATA H ATOM 9477 H2 TIP3A1892 -20.686 3.030 50.607 1.00 0.00 WATA H ATOM 9478 OH2 TIP3A1893 41.167 30.399 28.465 1.00 0.00 WATA O ATOM 9479 H1 TIP3A1893 40.791 30.616 29.366 1.00 0.00 WATA H ATOM 9480 H2 TIP3A1893 41.889 31.052 28.238 1.00 0.00 WATA H ATOM 9481 OH2 TIP3A1894 -4.710 31.469 5.032 1.00 0.00 WATA O ATOM 9482 H1 TIP3A1894 -5.389 32.134 4.719 1.00 0.00 WATA H ATOM 9483 H2 TIP3A1894 -4.935 31.176 5.961 1.00 0.00 WATA H ATOM 9484 OH2 TIP3A1895 34.527 -21.181 23.615 1.00 0.00 WATA O ATOM 9485 H1 TIP3A1895 34.911 -21.554 24.459 1.00 0.00 WATA H ATOM 9486 H2 TIP3A1895 33.743 -21.733 23.331 1.00 0.00 WATA H ATOM 9487 OH2 TIP3A1896 30.904 -27.846 -16.589 1.00 0.00 WATA O ATOM 9488 H1 TIP3A1896 31.817 -27.970 -16.200 1.00 0.00 WATA H ATOM 9489 H2 TIP3A1896 30.640 -26.884 -16.521 1.00 0.00 WATA H ATOM 9490 OH2 TIP3A1897 -48.029 48.794 -42.970 1.00 0.00 WATA O ATOM 9491 H1 TIP3A1897 -48.023 48.849 -43.969 1.00 0.00 WATA H ATOM 9492 H2 TIP3A1897 -48.164 47.844 -42.690 1.00 0.00 WATA H ATOM 9493 OH2 TIP3A1898 -47.297 36.312 -34.054 1.00 0.00 WATA O ATOM 9494 H1 TIP3A1898 -46.474 36.880 -34.088 1.00 0.00 WATA H ATOM 9495 H2 TIP3A1898 -47.038 35.347 -34.062 1.00 0.00 WATA H ATOM 9496 OH2 TIP3A1899 -8.617 47.470 -1.519 1.00 0.00 WATA O ATOM 9497 H1 TIP3A1899 -8.929 46.524 -1.611 1.00 0.00 WATA H ATOM 9498 H2 TIP3A1899 -7.642 47.523 -1.733 1.00 0.00 WATA H ATOM 9499 OH2 TIP3A1900 -37.080 -37.564 -16.970 1.00 0.00 WATA O ATOM 9500 H1 TIP3A1900 -37.726 -38.309 -17.136 1.00 0.00 WATA H ATOM 9501 H2 TIP3A1900 -36.179 -37.943 -16.762 1.00 0.00 WATA H ATOM 9502 OH2 TIP3A1901 -16.787 48.347 -26.204 1.00 0.00 WATA O ATOM 9503 H1 TIP3A1901 -17.235 47.544 -25.809 1.00 0.00 WATA H ATOM 9504 H2 TIP3A1901 -17.435 49.107 -26.238 1.00 0.00 WATA H ATOM 9505 OH2 TIP3A1902 43.688 -2.323 -38.320 1.00 0.00 WATA O ATOM 9506 H1 TIP3A1902 44.211 -3.174 -38.382 1.00 0.00 WATA H ATOM 9507 H2 TIP3A1902 43.012 -2.400 -37.588 1.00 0.00 WATA H ATOM 9508 OH2 TIP3A1903 -12.888 52.562 3.562 1.00 0.00 WATA O ATOM 9509 H1 TIP3A1903 -11.941 52.883 3.551 1.00 0.00 WATA H ATOM 9510 H2 TIP3A1903 -13.506 53.345 3.620 1.00 0.00 WATA H ATOM 9511 OH2 TIP3A1904 48.106 35.006 19.623 1.00 0.00 WATA O ATOM 9512 H1 TIP3A1904 48.349 34.052 19.800 1.00 0.00 WATA H ATOM 9513 H2 TIP3A1904 47.462 35.050 18.860 1.00 0.00 WATA H ATOM 9514 OH2 TIP3A1905 46.982 -35.102 -34.257 1.00 0.00 WATA O ATOM 9515 H1 TIP3A1905 46.897 -34.843 -35.219 1.00 0.00 WATA H ATOM 9516 H2 TIP3A1905 47.573 -35.904 -34.178 1.00 0.00 WATA H ATOM 9517 OH2 TIP3A1906 13.266 48.571 -42.467 1.00 0.00 WATA O ATOM 9518 H1 TIP3A1906 12.719 49.403 -42.367 1.00 0.00 WATA H ATOM 9519 H2 TIP3A1906 12.669 47.771 -42.418 1.00 0.00 WATA H ATOM 9520 OH2 TIP3A1907 -52.034 33.016 29.371 1.00 0.00 WATA O ATOM 9521 H1 TIP3A1907 -52.412 33.334 28.501 1.00 0.00 WATA H ATOM 9522 H2 TIP3A1907 -52.088 32.019 29.413 1.00 0.00 WATA H ATOM 9523 OH2 TIP3A1908 -39.655 -3.852 -23.547 1.00 0.00 WATA O ATOM 9524 H1 TIP3A1908 -38.949 -3.148 -23.477 1.00 0.00 WATA H ATOM 9525 H2 TIP3A1908 -40.137 -3.755 -24.417 1.00 0.00 WATA H ATOM 9526 OH2 TIP3A1909 -13.871 -9.213 -31.823 1.00 0.00 WATA O ATOM 9527 H1 TIP3A1909 -14.403 -9.477 -31.018 1.00 0.00 WATA H ATOM 9528 H2 TIP3A1909 -13.176 -9.909 -32.006 1.00 0.00 WATA H ATOM 9529 OH2 TIP3A1910 50.511 -48.917 -13.596 1.00 0.00 WATA O ATOM 9530 H1 TIP3A1910 49.935 -48.100 -13.565 1.00 0.00 WATA H ATOM 9531 H2 TIP3A1910 51.472 -48.651 -13.532 1.00 0.00 WATA H ATOM 9532 OH2 TIP3A1911 15.055 -51.875 -2.013 1.00 0.00 WATA O ATOM 9533 H1 TIP3A1911 15.534 -51.581 -1.185 1.00 0.00 WATA H ATOM 9534 H2 TIP3A1911 14.440 -52.630 -1.792 1.00 0.00 WATA H ATOM 9535 OH2 TIP3A1912 -11.449 -20.619 0.236 1.00 0.00 WATA O ATOM 9536 H1 TIP3A1912 -11.078 -21.377 -0.300 1.00 0.00 WATA H ATOM 9537 H2 TIP3A1912 -11.935 -20.979 1.032 1.00 0.00 WATA H ATOM 9538 OH2 TIP3A1913 -5.690 37.559 -16.230 1.00 0.00 WATA O ATOM 9539 H1 TIP3A1913 -6.404 36.884 -16.042 1.00 0.00 WATA H ATOM 9540 H2 TIP3A1913 -5.143 37.258 -17.009 1.00 0.00 WATA H ATOM 9541 OH2 TIP3A1914 37.560 41.352 -2.904 1.00 0.00 WATA O ATOM 9542 H1 TIP3A1914 38.165 40.582 -2.701 1.00 0.00 WATA H ATOM 9543 H2 TIP3A1914 36.641 41.012 -3.101 1.00 0.00 WATA H ATOM 9544 OH2 TIP3A1915 -44.034 -31.181 -34.192 1.00 0.00 WATA O ATOM 9545 H1 TIP3A1915 -43.641 -30.447 -33.638 1.00 0.00 WATA H ATOM 9546 H2 TIP3A1915 -44.248 -30.832 -35.104 1.00 0.00 WATA H ATOM 9547 OH2 TIP3A1916 41.159 -10.890 18.766 1.00 0.00 WATA O ATOM 9548 H1 TIP3A1916 41.788 -11.165 19.494 1.00 0.00 WATA H ATOM 9549 H2 TIP3A1916 41.626 -10.945 17.884 1.00 0.00 WATA H ATOM 9550 OH2 TIP3A1917 51.211 5.818 -22.534 1.00 0.00 WATA O ATOM 9551 H1 TIP3A1917 52.039 6.378 -22.515 1.00 0.00 WATA H ATOM 9552 H2 TIP3A1917 51.094 5.427 -23.447 1.00 0.00 WATA H ATOM 9553 OH2 TIP3A1918 10.128 9.968 -30.771 1.00 0.00 WATA O ATOM 9554 H1 TIP3A1918 9.387 9.391 -31.115 1.00 0.00 WATA H ATOM 9555 H2 TIP3A1918 9.744 10.723 -30.240 1.00 0.00 WATA H ATOM 9556 OH2 TIP3A1919 10.296 37.300 -29.244 1.00 0.00 WATA O ATOM 9557 H1 TIP3A1919 10.952 36.606 -29.540 1.00 0.00 WATA H ATOM 9558 H2 TIP3A1919 9.948 37.792 -30.041 1.00 0.00 WATA H ATOM 9559 OH2 TIP3A1920 15.399 1.500 40.933 1.00 0.00 WATA O ATOM 9560 H1 TIP3A1920 15.924 2.294 41.240 1.00 0.00 WATA H ATOM 9561 H2 TIP3A1920 15.245 1.563 39.948 1.00 0.00 WATA H ATOM 9562 OH2 TIP3A1921 -10.753 50.643 10.341 1.00 0.00 WATA O ATOM 9563 H1 TIP3A1921 -11.249 49.803 10.124 1.00 0.00 WATA H ATOM 9564 H2 TIP3A1921 -10.811 50.820 11.323 1.00 0.00 WATA H ATOM 9565 OH2 TIP3A1922 0.111 -36.581 -14.169 1.00 0.00 WATA O ATOM 9566 H1 TIP3A1922 0.140 -35.581 -14.176 1.00 0.00 WATA H ATOM 9567 H2 TIP3A1922 -0.841 -36.887 -14.168 1.00 0.00 WATA H ATOM 9568 OH2 TIP3A1923 -21.462 -36.279 -20.567 1.00 0.00 WATA O ATOM 9569 H1 TIP3A1923 -22.035 -35.641 -21.081 1.00 0.00 WATA H ATOM 9570 H2 TIP3A1923 -21.154 -35.845 -19.721 1.00 0.00 WATA H ATOM 9571 OH2 TIP3A1924 47.351 40.080 -21.145 1.00 0.00 WATA O ATOM 9572 H1 TIP3A1924 46.704 40.789 -21.424 1.00 0.00 WATA H ATOM 9573 H2 TIP3A1924 46.851 39.301 -20.768 1.00 0.00 WATA H ATOM 9574 OH2 TIP3A1925 20.820 41.197 6.720 1.00 0.00 WATA O ATOM 9575 H1 TIP3A1925 20.572 41.863 6.016 1.00 0.00 WATA H ATOM 9576 H2 TIP3A1925 21.790 41.291 6.941 1.00 0.00 WATA H ATOM 9577 OH2 TIP3A1926 -21.087 -11.493 28.068 1.00 0.00 WATA O ATOM 9578 H1 TIP3A1926 -21.144 -10.927 27.245 1.00 0.00 WATA H ATOM 9579 H2 TIP3A1926 -21.060 -12.458 27.808 1.00 0.00 WATA H ATOM 9580 OH2 TIP3A1927 -23.286 9.144 50.597 1.00 0.00 WATA O ATOM 9581 H1 TIP3A1927 -23.949 9.823 50.280 1.00 0.00 WATA H ATOM 9582 H2 TIP3A1927 -22.744 9.531 51.342 1.00 0.00 WATA H ATOM 9583 OH2 TIP3A1928 39.462 41.304 -16.803 1.00 0.00 WATA O ATOM 9584 H1 TIP3A1928 39.058 41.629 -15.948 1.00 0.00 WATA H ATOM 9585 H2 TIP3A1928 39.676 40.331 -16.722 1.00 0.00 WATA H ATOM 9586 OH2 TIP3A1929 1.921 -32.870 -50.548 1.00 0.00 WATA O ATOM 9587 H1 TIP3A1929 1.009 -32.480 -50.680 1.00 0.00 WATA H ATOM 9588 H2 TIP3A1929 1.999 -33.227 -49.618 1.00 0.00 WATA H ATOM 9589 OH2 TIP3A1930 4.266 46.496 29.839 1.00 0.00 WATA O ATOM 9590 H1 TIP3A1930 3.426 46.981 30.082 1.00 0.00 WATA H ATOM 9591 H2 TIP3A1930 4.579 45.958 30.621 1.00 0.00 WATA H ATOM 9592 OH2 TIP3A1931 -29.896 -41.453 -35.476 1.00 0.00 WATA O ATOM 9593 H1 TIP3A1931 -30.562 -42.089 -35.087 1.00 0.00 WATA H ATOM 9594 H2 TIP3A1931 -29.407 -41.899 -36.226 1.00 0.00 WATA H ATOM 9595 OH2 TIP3A1932 41.078 31.099 -31.794 1.00 0.00 WATA O ATOM 9596 H1 TIP3A1932 41.470 31.327 -30.903 1.00 0.00 WATA H ATOM 9597 H2 TIP3A1932 40.867 31.940 -32.291 1.00 0.00 WATA H ATOM 9598 OH2 TIP3A1933 -24.198 -45.675 46.280 1.00 0.00 WATA O ATOM 9599 H1 TIP3A1933 -24.871 -45.146 46.798 1.00 0.00 WATA H ATOM 9600 H2 TIP3A1933 -23.381 -45.814 46.839 1.00 0.00 WATA H ATOM 9601 OH2 TIP3A1934 42.587 -18.839 16.901 1.00 0.00 WATA O ATOM 9602 H1 TIP3A1934 43.337 -19.069 17.522 1.00 0.00 WATA H ATOM 9603 H2 TIP3A1934 42.922 -18.834 15.960 1.00 0.00 WATA H ATOM 9604 OH2 TIP3A1935 16.977 31.558 -12.445 1.00 0.00 WATA O ATOM 9605 H1 TIP3A1935 16.990 32.191 -11.671 1.00 0.00 WATA H ATOM 9606 H2 TIP3A1935 17.160 30.631 -12.121 1.00 0.00 WATA H ATOM 9607 OH2 TIP3A1936 15.575 -15.573 -38.080 1.00 0.00 WATA O ATOM 9608 H1 TIP3A1936 16.081 -15.501 -38.940 1.00 0.00 WATA H ATOM 9609 H2 TIP3A1936 14.635 -15.263 -38.219 1.00 0.00 WATA H ATOM 9610 OH2 TIP3A1937 -36.364 2.990 -31.177 1.00 0.00 WATA O ATOM 9611 H1 TIP3A1937 -36.597 2.018 -31.136 1.00 0.00 WATA H ATOM 9612 H2 TIP3A1937 -35.371 3.093 -31.228 1.00 0.00 WATA H ATOM 9613 OH2 TIP3A1938 -12.389 27.393 8.040 1.00 0.00 WATA O ATOM 9614 H1 TIP3A1938 -12.920 26.555 7.914 1.00 0.00 WATA H ATOM 9615 H2 TIP3A1938 -11.422 27.163 8.145 1.00 0.00 WATA H ATOM 9616 OH2 TIP3A1939 3.520 -51.014 22.758 1.00 0.00 WATA O ATOM 9617 H1 TIP3A1939 3.819 -51.418 21.894 1.00 0.00 WATA H ATOM 9618 H2 TIP3A1939 3.354 -50.036 22.630 1.00 0.00 WATA H ATOM 9619 OH2 TIP3A1940 -51.321 -21.980 -51.018 1.00 0.00 WATA O ATOM 9620 H1 TIP3A1940 -51.471 -22.694 -50.334 1.00 0.00 WATA H ATOM 9621 H2 TIP3A1940 -51.924 -22.136 -51.800 1.00 0.00 WATA H ATOM 9622 OH2 TIP3A1941 45.868 11.673 -43.778 1.00 0.00 WATA O ATOM 9623 H1 TIP3A1941 45.582 12.599 -44.025 1.00 0.00 WATA H ATOM 9624 H2 TIP3A1941 45.169 11.020 -44.068 1.00 0.00 WATA H ATOM 9625 OH2 TIP3A1942 52.656 37.577 33.426 1.00 0.00 WATA O ATOM 9626 H1 TIP3A1942 53.108 38.418 33.725 1.00 0.00 WATA H ATOM 9627 H2 TIP3A1942 53.345 36.903 33.163 1.00 0.00 WATA H ATOM 9628 OH2 TIP3A1943 35.736 -47.899 15.665 1.00 0.00 WATA O ATOM 9629 H1 TIP3A1943 35.292 -48.739 15.980 1.00 0.00 WATA H ATOM 9630 H2 TIP3A1943 36.654 -47.841 16.054 1.00 0.00 WATA H ATOM 9631 OH2 TIP3A1944 -29.228 24.307 -30.746 1.00 0.00 WATA O ATOM 9632 H1 TIP3A1944 -30.154 24.392 -31.116 1.00 0.00 WATA H ATOM 9633 H2 TIP3A1944 -29.206 23.571 -30.070 1.00 0.00 WATA H ATOM 9634 OH2 TIP3A1945 26.752 -48.800 -48.687 1.00 0.00 WATA O ATOM 9635 H1 TIP3A1945 25.872 -48.449 -48.365 1.00 0.00 WATA H ATOM 9636 H2 TIP3A1945 26.717 -49.798 -48.729 1.00 0.00 WATA H ATOM 9637 OH2 TIP3A1946 -50.948 21.878 39.610 1.00 0.00 WATA O ATOM 9638 H1 TIP3A1946 -51.292 22.729 40.006 1.00 0.00 WATA H ATOM 9639 H2 TIP3A1946 -51.630 21.157 39.723 1.00 0.00 WATA H ATOM 9640 OH2 TIP3A1947 42.446 -22.876 -50.800 1.00 0.00 WATA O ATOM 9641 H1 TIP3A1947 43.337 -22.424 -50.744 1.00 0.00 WATA H ATOM 9642 H2 TIP3A1947 41.721 -22.190 -50.762 1.00 0.00 WATA H ATOM 9643 OH2 TIP3A1948 -33.549 -39.981 43.682 1.00 0.00 WATA O ATOM 9644 H1 TIP3A1948 -34.536 -39.927 43.836 1.00 0.00 WATA H ATOM 9645 H2 TIP3A1948 -33.368 -40.533 42.869 1.00 0.00 WATA H ATOM 9646 OH2 TIP3A1949 -36.761 20.054 -8.276 1.00 0.00 WATA O ATOM 9647 H1 TIP3A1949 -36.860 20.930 -7.804 1.00 0.00 WATA H ATOM 9648 H2 TIP3A1949 -35.794 19.808 -8.325 1.00 0.00 WATA H ATOM 9649 OH2 TIP3A1950 -37.858 -1.624 6.904 1.00 0.00 WATA O ATOM 9650 H1 TIP3A1950 -37.342 -0.941 7.422 1.00 0.00 WATA H ATOM 9651 H2 TIP3A1950 -38.330 -1.178 6.144 1.00 0.00 WATA H ATOM 9652 OH2 TIP3A1951 36.098 43.853 12.935 1.00 0.00 WATA O ATOM 9653 H1 TIP3A1951 36.057 44.387 12.090 1.00 0.00 WATA H ATOM 9654 H2 TIP3A1951 35.228 43.928 13.420 1.00 0.00 WATA H ATOM 9655 OH2 TIP3A1952 41.444 39.056 37.625 1.00 0.00 WATA O ATOM 9656 H1 TIP3A1952 40.763 38.968 36.898 1.00 0.00 WATA H ATOM 9657 H2 TIP3A1952 42.339 38.774 37.280 1.00 0.00 WATA H ATOM 9658 OH2 TIP3A1953 50.402 5.401 -12.083 1.00 0.00 WATA O ATOM 9659 H1 TIP3A1953 50.903 6.225 -11.820 1.00 0.00 WATA H ATOM 9660 H2 TIP3A1953 49.580 5.658 -12.590 1.00 0.00 WATA H ATOM 9661 OH2 TIP3A1954 7.341 -26.561 -20.675 1.00 0.00 WATA O ATOM 9662 H1 TIP3A1954 7.101 -26.823 -19.740 1.00 0.00 WATA H ATOM 9663 H2 TIP3A1954 8.329 -26.650 -20.803 1.00 0.00 WATA H ATOM 9664 OH2 TIP3A1955 52.026 10.361 -41.790 1.00 0.00 WATA O ATOM 9665 H1 TIP3A1955 51.026 10.362 -41.795 1.00 0.00 WATA H ATOM 9666 H2 TIP3A1955 52.361 11.303 -41.769 1.00 0.00 WATA H ATOM 9667 OH2 TIP3A1956 -6.647 1.548 44.983 1.00 0.00 WATA O ATOM 9668 H1 TIP3A1956 -7.150 2.196 45.555 1.00 0.00 WATA H ATOM 9669 H2 TIP3A1956 -6.277 0.816 45.554 1.00 0.00 WATA H ATOM 9670 OH2 TIP3A1957 -30.320 39.833 31.031 1.00 0.00 WATA O ATOM 9671 H1 TIP3A1957 -30.059 40.798 31.040 1.00 0.00 WATA H ATOM 9672 H2 TIP3A1957 -31.317 39.757 31.027 1.00 0.00 WATA H ATOM 9673 OH2 TIP3A1958 -34.804 -15.267 20.526 1.00 0.00 WATA O ATOM 9674 H1 TIP3A1958 -35.615 -14.955 21.020 1.00 0.00 WATA H ATOM 9675 H2 TIP3A1958 -34.173 -14.502 20.403 1.00 0.00 WATA H ATOM 9676 OH2 TIP3A1959 -32.799 19.980 32.137 1.00 0.00 WATA O ATOM 9677 H1 TIP3A1959 -32.973 20.131 31.163 1.00 0.00 WATA H ATOM 9678 H2 TIP3A1959 -32.005 19.382 32.245 1.00 0.00 WATA H ATOM 9679 OH2 TIP3A1960 -36.238 11.964 -12.742 1.00 0.00 WATA O ATOM 9680 H1 TIP3A1960 -36.124 12.845 -12.282 1.00 0.00 WATA H ATOM 9681 H2 TIP3A1960 -36.778 12.090 -13.574 1.00 0.00 WATA H ATOM 9682 OH2 TIP3A1961 -15.821 38.966 -27.821 1.00 0.00 WATA O ATOM 9683 H1 TIP3A1961 -15.503 38.378 -28.565 1.00 0.00 WATA H ATOM 9684 H2 TIP3A1961 -15.353 39.848 -27.870 1.00 0.00 WATA H ATOM 9685 OH2 TIP3A1962 -14.114 18.860 -48.010 1.00 0.00 WATA O ATOM 9686 H1 TIP3A1962 -13.567 18.719 -48.836 1.00 0.00 WATA H ATOM 9687 H2 TIP3A1962 -14.032 19.811 -47.714 1.00 0.00 WATA H ATOM 9688 OH2 TIP3A1963 30.348 -16.994 -11.114 1.00 0.00 WATA O ATOM 9689 H1 TIP3A1963 30.238 -16.915 -10.124 1.00 0.00 WATA H ATOM 9690 H2 TIP3A1963 30.958 -16.273 -11.441 1.00 0.00 WATA H ATOM 9691 OH2 TIP3A1964 -26.220 47.307 48.173 1.00 0.00 WATA O ATOM 9692 H1 TIP3A1964 -26.295 48.211 48.593 1.00 0.00 WATA H ATOM 9693 H2 TIP3A1964 -27.134 46.946 47.992 1.00 0.00 WATA H ATOM 9694 OH2 TIP3A1965 -21.777 53.345 -26.311 1.00 0.00 WATA O ATOM 9695 H1 TIP3A1965 -22.692 53.178 -26.680 1.00 0.00 WATA H ATOM 9696 H2 TIP3A1965 -21.415 52.498 -25.923 1.00 0.00 WATA H ATOM 9697 OH2 TIP3A1966 -33.583 16.742 29.420 1.00 0.00 WATA O ATOM 9698 H1 TIP3A1966 -34.331 16.235 28.992 1.00 0.00 WATA H ATOM 9699 H2 TIP3A1966 -33.404 17.576 28.899 1.00 0.00 WATA H ATOM 9700 OH2 TIP3A1967 2.643 31.464 31.917 1.00 0.00 WATA O ATOM 9701 H1 TIP3A1967 3.369 30.893 32.300 1.00 0.00 WATA H ATOM 9702 H2 TIP3A1967 2.550 31.273 30.940 1.00 0.00 WATA H ATOM 9703 OH2 TIP3A1968 -31.831 -8.108 -31.942 1.00 0.00 WATA O ATOM 9704 H1 TIP3A1968 -32.586 -8.041 -31.289 1.00 0.00 WATA H ATOM 9705 H2 TIP3A1968 -31.643 -9.070 -32.137 1.00 0.00 WATA H ATOM 9706 OH2 TIP3A1969 38.333 41.194 27.763 1.00 0.00 WATA O ATOM 9707 H1 TIP3A1969 37.917 41.724 28.503 1.00 0.00 WATA H ATOM 9708 H2 TIP3A1969 39.169 41.648 27.457 1.00 0.00 WATA H ATOM 9709 OH2 TIP3A1970 41.907 -27.668 1.350 1.00 0.00 WATA O ATOM 9710 H1 TIP3A1970 42.458 -28.502 1.300 1.00 0.00 WATA H ATOM 9711 H2 TIP3A1970 42.017 -27.145 0.506 1.00 0.00 WATA H ATOM 9712 OH2 TIP3A1971 30.067 13.730 -26.559 1.00 0.00 WATA O ATOM 9713 H1 TIP3A1971 30.143 13.504 -27.531 1.00 0.00 WATA H ATOM 9714 H2 TIP3A1971 29.152 13.496 -26.233 1.00 0.00 WATA H ATOM 9715 OH2 TIP3A1972 18.331 -9.890 46.074 1.00 0.00 WATA O ATOM 9716 H1 TIP3A1972 19.309 -9.875 45.868 1.00 0.00 WATA H ATOM 9717 H2 TIP3A1972 17.815 -9.617 45.263 1.00 0.00 WATA H ATOM 9718 OH2 TIP3A1973 -37.582 -17.235 -30.600 1.00 0.00 WATA O ATOM 9719 H1 TIP3A1973 -37.683 -18.194 -30.337 1.00 0.00 WATA H ATOM 9720 H2 TIP3A1973 -38.484 -16.815 -30.686 1.00 0.00 WATA H ATOM 9721 OH2 TIP3A1974 -7.868 23.725 40.984 1.00 0.00 WATA O ATOM 9722 H1 TIP3A1974 -8.406 23.541 40.161 1.00 0.00 WATA H ATOM 9723 H2 TIP3A1974 -6.896 23.632 40.774 1.00 0.00 WATA H ATOM 9724 OH2 TIP3A1975 1.301 -37.948 -32.878 1.00 0.00 WATA O ATOM 9725 H1 TIP3A1975 0.409 -38.400 -32.880 1.00 0.00 WATA H ATOM 9726 H2 TIP3A1975 1.172 -36.957 -32.865 1.00 0.00 WATA H ATOM 9727 OH2 TIP3A1976 -31.523 11.898 -1.835 1.00 0.00 WATA O ATOM 9728 H1 TIP3A1976 -31.582 12.780 -2.303 1.00 0.00 WATA H ATOM 9729 H2 TIP3A1976 -30.597 11.533 -1.925 1.00 0.00 WATA H ATOM 9730 OH2 TIP3A1977 -0.093 -45.020 -25.671 1.00 0.00 WATA O ATOM 9731 H1 TIP3A1977 -0.270 -46.005 -25.697 1.00 0.00 WATA H ATOM 9732 H2 TIP3A1977 -0.392 -44.650 -24.793 1.00 0.00 WATA H ATOM 9733 OH2 TIP3A1978 -39.347 -45.956 -36.099 1.00 0.00 WATA O ATOM 9734 H1 TIP3A1978 -38.450 -46.396 -36.134 1.00 0.00 WATA H ATOM 9735 H2 TIP3A1978 -39.789 -46.027 -36.993 1.00 0.00 WATA H ATOM 9736 OH2 TIP3A1979 -15.307 37.762 -45.552 1.00 0.00 WATA O ATOM 9737 H1 TIP3A1979 -16.031 37.174 -45.192 1.00 0.00 WATA H ATOM 9738 H2 TIP3A1979 -15.715 38.556 -46.002 1.00 0.00 WATA H ATOM 9739 OH2 TIP3A1980 42.568 -53.345 -19.894 1.00 0.00 WATA O ATOM 9740 H1 TIP3A1980 42.967 -53.082 -19.015 1.00 0.00 WATA H ATOM 9741 H2 TIP3A1980 42.227 -52.530 -20.363 1.00 0.00 WATA H ATOM 9742 OH2 TIP3A1981 32.566 -42.330 12.086 1.00 0.00 WATA O ATOM 9743 H1 TIP3A1981 33.461 -42.537 12.481 1.00 0.00 WATA H ATOM 9744 H2 TIP3A1981 31.854 -42.488 12.770 1.00 0.00 WATA H ATOM 9745 OH2 TIP3A1982 38.757 -36.023 44.423 1.00 0.00 WATA O ATOM 9746 H1 TIP3A1982 38.111 -36.549 44.977 1.00 0.00 WATA H ATOM 9747 H2 TIP3A1982 38.802 -35.085 44.764 1.00 0.00 WATA H ATOM 9748 OH2 TIP3A1983 31.931 29.782 0.159 1.00 0.00 WATA O ATOM 9749 H1 TIP3A1983 32.077 30.514 -0.507 1.00 0.00 WATA H ATOM 9750 H2 TIP3A1983 32.566 29.895 0.922 1.00 0.00 WATA H ATOM 9751 OH2 TIP3A1984 -48.127 46.691 25.051 1.00 0.00 WATA O ATOM 9752 H1 TIP3A1984 -47.958 47.666 24.911 1.00 0.00 WATA H ATOM 9753 H2 TIP3A1984 -47.497 46.159 24.486 1.00 0.00 WATA H ATOM 9754 OH2 TIP3A1985 53.169 13.985 -41.095 1.00 0.00 WATA O ATOM 9755 H1 TIP3A1985 52.314 14.459 -41.308 1.00 0.00 WATA H ATOM 9756 H2 TIP3A1985 52.975 13.189 -40.522 1.00 0.00 WATA H ATOM 9757 OH2 TIP3A1986 44.250 -14.037 -4.021 1.00 0.00 WATA O ATOM 9758 H1 TIP3A1986 43.493 -13.985 -4.672 1.00 0.00 WATA H ATOM 9759 H2 TIP3A1986 44.394 -14.988 -3.752 1.00 0.00 WATA H ATOM 9760 OH2 TIP3A1987 -40.283 -31.103 -53.010 1.00 0.00 WATA O ATOM 9761 H1 TIP3A1987 -40.024 -32.044 -52.787 1.00 0.00 WATA H ATOM 9762 H2 TIP3A1987 -41.224 -31.087 -53.345 1.00 0.00 WATA H ATOM 9763 OH2 TIP3A1988 36.540 -31.371 -8.863 1.00 0.00 WATA O ATOM 9764 H1 TIP3A1988 37.343 -31.710 -9.353 1.00 0.00 WATA H ATOM 9765 H2 TIP3A1988 36.432 -30.393 -9.035 1.00 0.00 WATA H ATOM 9766 OH2 TIP3A1989 -44.729 -4.883 4.020 1.00 0.00 WATA O ATOM 9767 H1 TIP3A1989 -45.409 -4.226 3.695 1.00 0.00 WATA H ATOM 9768 H2 TIP3A1989 -45.189 -5.719 4.318 1.00 0.00 WATA H ATOM 9769 OH2 TIP3A1990 28.981 -21.637 -2.109 1.00 0.00 WATA O ATOM 9770 H1 TIP3A1990 28.056 -21.917 -1.851 1.00 0.00 WATA H ATOM 9771 H2 TIP3A1990 29.610 -22.403 -1.981 1.00 0.00 WATA H ATOM 9772 OH2 TIP3A1991 50.045 46.014 -4.052 1.00 0.00 WATA O ATOM 9773 H1 TIP3A1991 49.738 46.953 -4.209 1.00 0.00 WATA H ATOM 9774 H2 TIP3A1991 51.030 45.955 -4.208 1.00 0.00 WATA H ATOM 9775 OH2 TIP3A1992 -48.541 43.998 24.936 1.00 0.00 WATA O ATOM 9776 H1 TIP3A1992 -48.561 43.037 24.658 1.00 0.00 WATA H ATOM 9777 H2 TIP3A1992 -47.695 44.184 25.434 1.00 0.00 WATA H ATOM 9778 OH2 TIP3A1993 -5.526 43.121 5.528 1.00 0.00 WATA O ATOM 9779 H1 TIP3A1993 -5.989 42.326 5.136 1.00 0.00 WATA H ATOM 9780 H2 TIP3A1993 -5.378 43.806 4.815 1.00 0.00 WATA H ATOM 9781 OH2 TIP3A1994 -39.729 -43.866 -25.566 1.00 0.00 WATA O ATOM 9782 H1 TIP3A1994 -38.964 -44.510 -25.596 1.00 0.00 WATA H ATOM 9783 H2 TIP3A1994 -39.378 -42.930 -25.586 1.00 0.00 WATA H ATOM 9784 OH2 TIP3A1995 -31.026 3.003 4.031 1.00 0.00 WATA O ATOM 9785 H1 TIP3A1995 -31.705 3.514 3.503 1.00 0.00 WATA H ATOM 9786 H2 TIP3A1995 -30.807 2.151 3.557 1.00 0.00 WATA H ATOM 9787 OH2 TIP3A1996 36.262 -31.799 -40.225 1.00 0.00 WATA O ATOM 9788 H1 TIP3A1996 36.883 -31.125 -39.825 1.00 0.00 WATA H ATOM 9789 H2 TIP3A1996 36.780 -32.611 -40.493 1.00 0.00 WATA H ATOM 9790 OH2 TIP3A1997 -20.836 -18.993 -51.126 1.00 0.00 WATA O ATOM 9791 H1 TIP3A1997 -21.792 -18.714 -51.224 1.00 0.00 WATA H ATOM 9792 H2 TIP3A1997 -20.275 -18.193 -50.917 1.00 0.00 WATA H ATOM 9793 OH2 TIP3A1998 10.785 45.765 14.830 1.00 0.00 WATA O ATOM 9794 H1 TIP3A1998 11.158 45.071 15.447 1.00 0.00 WATA H ATOM 9795 H2 TIP3A1998 11.503 46.416 14.587 1.00 0.00 WATA H ATOM 9796 OH2 TIP3A1999 -46.869 23.419 41.809 1.00 0.00 WATA O ATOM 9797 H1 TIP3A1999 -46.553 22.652 42.368 1.00 0.00 WATA H ATOM 9798 H2 TIP3A1999 -46.798 23.177 40.842 1.00 0.00 WATA H ATOM 9799 OH2 TIP3A2000 9.540 2.697 44.245 1.00 0.00 WATA O ATOM 9800 H1 TIP3A2000 10.234 2.386 43.594 1.00 0.00 WATA H ATOM 9801 H2 TIP3A2000 9.189 1.914 44.758 1.00 0.00 WATA H ATOM 9802 OH2 TIP3A2001 -3.630 -32.845 -50.029 1.00 0.00 WATA O ATOM 9803 H1 TIP3A2001 -3.635 -31.879 -50.290 1.00 0.00 WATA H ATOM 9804 H2 TIP3A2001 -2.697 -33.126 -49.806 1.00 0.00 WATA H ATOM 9805 OH2 TIP3A2002 36.406 -52.023 32.959 1.00 0.00 WATA O ATOM 9806 H1 TIP3A2002 37.261 -51.599 32.661 1.00 0.00 WATA H ATOM 9807 H2 TIP3A2002 36.070 -52.635 32.244 1.00 0.00 WATA H ATOM 9808 OH2 TIP3A2003 10.875 -31.213 2.388 1.00 0.00 WATA O ATOM 9809 H1 TIP3A2003 11.714 -31.058 2.911 1.00 0.00 WATA H ATOM 9810 H2 TIP3A2003 10.720 -32.195 2.289 1.00 0.00 WATA H ATOM 9811 OH2 TIP3A2004 -7.951 -34.738 -34.441 1.00 0.00 WATA O ATOM 9812 H1 TIP3A2004 -7.827 -33.745 -34.435 1.00 0.00 WATA H ATOM 9813 H2 TIP3A2004 -8.925 -34.953 -34.369 1.00 0.00 WATA H ATOM 9814 OH2 TIP3A2005 43.362 -14.081 -34.360 1.00 0.00 WATA O ATOM 9815 H1 TIP3A2005 43.150 -14.135 -33.384 1.00 0.00 WATA H ATOM 9816 H2 TIP3A2005 42.947 -13.258 -34.746 1.00 0.00 WATA H ATOM 9817 OH2 TIP3A2006 -52.666 45.412 43.266 1.00 0.00 WATA O ATOM 9818 H1 TIP3A2006 -52.059 44.722 42.873 1.00 0.00 WATA H ATOM 9819 H2 TIP3A2006 -53.338 44.967 43.857 1.00 0.00 WATA H ATOM 9820 OH2 TIP3A2007 -34.423 -29.698 15.325 1.00 0.00 WATA O ATOM 9821 H1 TIP3A2007 -34.892 -28.857 15.594 1.00 0.00 WATA H ATOM 9822 H2 TIP3A2007 -35.078 -30.327 14.907 1.00 0.00 WATA H ATOM 9823 OH2 TIP3A2008 32.956 52.358 17.852 1.00 0.00 WATA O ATOM 9824 H1 TIP3A2008 32.606 51.444 17.647 1.00 0.00 WATA H ATOM 9825 H2 TIP3A2008 32.407 53.042 17.373 1.00 0.00 WATA H ATOM 9826 OH2 TIP3A2009 32.609 2.259 42.146 1.00 0.00 WATA O ATOM 9827 H1 TIP3A2009 31.843 1.645 42.340 1.00 0.00 WATA H ATOM 9828 H2 TIP3A2009 32.288 3.205 42.150 1.00 0.00 WATA H ATOM 9829 OH2 TIP3A2010 6.909 -5.586 -49.817 1.00 0.00 WATA O ATOM 9830 H1 TIP3A2010 6.590 -5.537 -50.764 1.00 0.00 WATA H ATOM 9831 H2 TIP3A2010 7.477 -4.789 -49.616 1.00 0.00 WATA H ATOM 9832 OH2 TIP3A2011 -10.795 -33.172 -20.447 1.00 0.00 WATA O ATOM 9833 H1 TIP3A2011 -11.230 -34.073 -20.442 1.00 0.00 WATA H ATOM 9834 H2 TIP3A2011 -11.464 -32.477 -20.184 1.00 0.00 WATA H ATOM 9835 OH2 TIP3A2012 39.593 -27.384 33.681 1.00 0.00 WATA O ATOM 9836 H1 TIP3A2012 39.376 -26.488 34.068 1.00 0.00 WATA H ATOM 9837 H2 TIP3A2012 38.748 -27.842 33.405 1.00 0.00 WATA H ATOM 9838 OH2 TIP3A2013 -34.762 32.709 23.374 1.00 0.00 WATA O ATOM 9839 H1 TIP3A2013 -34.032 33.391 23.428 1.00 0.00 WATA H ATOM 9840 H2 TIP3A2013 -35.528 32.993 23.950 1.00 0.00 WATA H ATOM 9841 OH2 TIP3A2014 51.822 -15.633 5.132 1.00 0.00 WATA O ATOM 9842 H1 TIP3A2014 51.092 -14.979 4.934 1.00 0.00 WATA H ATOM 9843 H2 TIP3A2014 51.422 -16.520 5.362 1.00 0.00 WATA H ATOM 9844 OH2 TIP3A2015 -33.304 20.227 25.346 1.00 0.00 WATA O ATOM 9845 H1 TIP3A2015 -33.251 19.285 25.678 1.00 0.00 WATA H ATOM 9846 H2 TIP3A2015 -32.443 20.697 25.538 1.00 0.00 WATA H ATOM 9847 OH2 TIP3A2016 -2.241 -52.006 -1.810 1.00 0.00 WATA O ATOM 9848 H1 TIP3A2016 -3.163 -52.031 -2.198 1.00 0.00 WATA H ATOM 9849 H2 TIP3A2016 -1.691 -51.330 -2.299 1.00 0.00 WATA H ATOM 9850 OH2 TIP3A2017 -3.649 47.295 14.280 1.00 0.00 WATA O ATOM 9851 H1 TIP3A2017 -4.201 47.159 13.457 1.00 0.00 WATA H ATOM 9852 H2 TIP3A2017 -3.674 48.258 14.544 1.00 0.00 WATA H ATOM 9853 OH2 TIP3A2018 -33.102 21.779 6.480 1.00 0.00 WATA O ATOM 9854 H1 TIP3A2018 -32.448 21.248 5.940 1.00 0.00 WATA H ATOM 9855 H2 TIP3A2018 -33.567 22.437 5.888 1.00 0.00 WATA H ATOM 9856 OH2 TIP3A2019 53.112 -35.324 11.655 1.00 0.00 WATA O ATOM 9857 H1 TIP3A2019 53.216 -35.587 10.696 1.00 0.00 WATA H ATOM 9858 H2 TIP3A2019 53.341 -36.101 12.241 1.00 0.00 WATA H ATOM 9859 OH2 TIP3A2020 36.126 12.785 -26.322 1.00 0.00 WATA O ATOM 9860 H1 TIP3A2020 35.437 12.172 -25.936 1.00 0.00 WATA H ATOM 9861 H2 TIP3A2020 36.947 12.263 -26.551 1.00 0.00 WATA H ATOM 9862 OH2 TIP3A2021 -6.103 37.342 29.461 1.00 0.00 WATA O ATOM 9863 H1 TIP3A2021 -5.546 38.145 29.249 1.00 0.00 WATA H ATOM 9864 H2 TIP3A2021 -6.044 36.686 28.709 1.00 0.00 WATA H ATOM 9865 OH2 TIP3A2022 -45.274 47.143 24.960 1.00 0.00 WATA O ATOM 9866 H1 TIP3A2022 -44.673 47.752 24.442 1.00 0.00 WATA H ATOM 9867 H2 TIP3A2022 -45.680 47.645 25.724 1.00 0.00 WATA H ATOM 9868 OH2 TIP3A2023 -17.147 -14.430 -8.224 1.00 0.00 WATA O ATOM 9869 H1 TIP3A2023 -17.345 -14.440 -7.244 1.00 0.00 WATA H ATOM 9870 H2 TIP3A2023 -17.802 -15.012 -8.703 1.00 0.00 WATA H ATOM 9871 OH2 TIP3A2024 -10.665 -25.859 -1.889 1.00 0.00 WATA O ATOM 9872 H1 TIP3A2024 -10.704 -24.909 -1.578 1.00 0.00 WATA H ATOM 9873 H2 TIP3A2024 -10.585 -26.465 -1.099 1.00 0.00 WATA H ATOM 9874 OH2 TIP3A2025 -3.856 -50.892 24.042 1.00 0.00 WATA O ATOM 9875 H1 TIP3A2025 -3.111 -50.325 24.394 1.00 0.00 WATA H ATOM 9876 H2 TIP3A2025 -4.664 -50.776 24.617 1.00 0.00 WATA H ATOM 9877 OH2 TIP3A2026 -31.262 21.555 32.181 1.00 0.00 WATA O ATOM 9878 H1 TIP3A2026 -30.420 22.036 31.939 1.00 0.00 WATA H ATOM 9879 H2 TIP3A2026 -32.045 22.029 31.778 1.00 0.00 WATA H ATOM 9880 OH2 TIP3A2027 -24.333 -37.880 21.685 1.00 0.00 WATA O ATOM 9881 H1 TIP3A2027 -23.738 -38.400 21.072 1.00 0.00 WATA H ATOM 9882 H2 TIP3A2027 -24.299 -38.280 22.601 1.00 0.00 WATA H ATOM 9883 OH2 TIP3A2028 -19.728 -46.535 -6.510 1.00 0.00 WATA O ATOM 9884 H1 TIP3A2028 -19.967 -47.420 -6.912 1.00 0.00 WATA H ATOM 9885 H2 TIP3A2028 -20.467 -46.231 -5.910 1.00 0.00 WATA H ATOM 9886 OH2 TIP3A2029 18.788 35.229 2.501 1.00 0.00 WATA O ATOM 9887 H1 TIP3A2029 18.833 34.404 3.065 1.00 0.00 WATA H ATOM 9888 H2 TIP3A2029 18.447 35.990 3.051 1.00 0.00 WATA H ATOM 9889 OH2 TIP3A2030 48.886 30.002 -12.632 1.00 0.00 WATA O ATOM 9890 H1 TIP3A2030 47.981 29.587 -12.542 1.00 0.00 WATA H ATOM 9891 H2 TIP3A2030 48.800 30.905 -13.053 1.00 0.00 WATA H ATOM 9892 OH2 TIP3A2031 13.577 13.372 -49.209 1.00 0.00 WATA O ATOM 9893 H1 TIP3A2031 14.250 12.640 -49.100 1.00 0.00 WATA H ATOM 9894 H2 TIP3A2031 13.035 13.454 -48.372 1.00 0.00 WATA H ATOM 9895 OH2 TIP3A2032 0.958 -23.090 -48.650 1.00 0.00 WATA O ATOM 9896 H1 TIP3A2032 0.893 -22.093 -48.596 1.00 0.00 WATA H ATOM 9897 H2 TIP3A2032 0.040 -23.481 -48.705 1.00 0.00 WATA H ATOM 9898 OH2 TIP3A2033 24.011 46.118 28.536 1.00 0.00 WATA O ATOM 9899 H1 TIP3A2033 24.976 45.886 28.662 1.00 0.00 WATA H ATOM 9900 H2 TIP3A2033 23.497 45.294 28.303 1.00 0.00 WATA H ATOM 9901 OH2 TIP3A2034 -24.039 -45.760 -50.671 1.00 0.00 WATA O ATOM 9902 H1 TIP3A2034 -24.852 -45.888 -51.239 1.00 0.00 WATA H ATOM 9903 H2 TIP3A2034 -24.234 -45.092 -49.954 1.00 0.00 WATA H ATOM 9904 OH2 TIP3A2035 -42.444 13.149 -24.643 1.00 0.00 WATA O ATOM 9905 H1 TIP3A2035 -43.341 13.584 -24.563 1.00 0.00 WATA H ATOM 9906 H2 TIP3A2035 -41.795 13.794 -25.046 1.00 0.00 WATA H ATOM 9907 OH2 TIP3A2036 4.295 1.918 -49.398 1.00 0.00 WATA O ATOM 9908 H1 TIP3A2036 4.919 2.699 -49.416 1.00 0.00 WATA H ATOM 9909 H2 TIP3A2036 3.351 2.245 -49.365 1.00 0.00 WATA H ATOM 9910 OH2 TIP3A2037 -33.594 -41.030 -23.015 1.00 0.00 WATA O ATOM 9911 H1 TIP3A2037 -33.614 -42.016 -23.181 1.00 0.00 WATA H ATOM 9912 H2 TIP3A2037 -34.530 -40.683 -22.957 1.00 0.00 WATA H ATOM 9913 OH2 TIP3A2038 -22.886 -40.688 -9.397 1.00 0.00 WATA O ATOM 9914 H1 TIP3A2038 -23.795 -40.978 -9.698 1.00 0.00 WATA H ATOM 9915 H2 TIP3A2038 -22.385 -41.476 -9.041 1.00 0.00 WATA H ATOM 9916 OH2 TIP3A2039 9.129 -42.141 -26.842 1.00 0.00 WATA O ATOM 9917 H1 TIP3A2039 9.053 -42.926 -27.457 1.00 0.00 WATA H ATOM 9918 H2 TIP3A2039 9.833 -42.321 -26.156 1.00 0.00 WATA H ATOM 9919 OH2 TIP3A2040 25.311 -23.191 -6.058 1.00 0.00 WATA O ATOM 9920 H1 TIP3A2040 25.221 -23.953 -5.416 1.00 0.00 WATA H ATOM 9921 H2 TIP3A2040 25.905 -22.491 -5.663 1.00 0.00 WATA H ATOM 9922 OH2 TIP3A2041 21.386 -17.268 -33.641 1.00 0.00 WATA O ATOM 9923 H1 TIP3A2041 22.022 -17.898 -34.088 1.00 0.00 WATA H ATOM 9924 H2 TIP3A2041 20.924 -16.714 -34.332 1.00 0.00 WATA H ATOM 9925 OH2 TIP3A2042 18.841 -14.296 31.101 1.00 0.00 WATA O ATOM 9926 H1 TIP3A2042 19.759 -13.975 30.864 1.00 0.00 WATA H ATOM 9927 H2 TIP3A2042 18.582 -13.935 31.996 1.00 0.00 WATA H ATOM 9928 OH2 TIP3A2043 51.225 52.372 -12.750 1.00 0.00 WATA O ATOM 9929 H1 TIP3A2043 50.757 53.229 -12.965 1.00 0.00 WATA H ATOM 9930 H2 TIP3A2043 52.197 52.550 -12.604 1.00 0.00 WATA H ATOM 9931 OH2 TIP3A2044 8.649 -11.164 40.698 1.00 0.00 WATA O ATOM 9932 H1 TIP3A2044 8.781 -10.658 39.845 1.00 0.00 WATA H ATOM 9933 H2 TIP3A2044 8.481 -10.521 41.444 1.00 0.00 WATA H ATOM 9934 OH2 TIP3A2045 39.985 44.666 42.473 1.00 0.00 WATA O ATOM 9935 H1 TIP3A2045 39.302 43.939 42.551 1.00 0.00 WATA H ATOM 9936 H2 TIP3A2045 39.525 45.551 42.419 1.00 0.00 WATA H ATOM 9937 OH2 TIP3A2046 -22.835 14.961 49.132 1.00 0.00 WATA O ATOM 9938 H1 TIP3A2046 -23.037 13.998 48.953 1.00 0.00 WATA H ATOM 9939 H2 TIP3A2046 -23.657 15.418 49.469 1.00 0.00 WATA H ATOM 9940 OH2 TIP3A2047 26.577 29.073 31.594 1.00 0.00 WATA O ATOM 9941 H1 TIP3A2047 26.590 29.397 30.648 1.00 0.00 WATA H ATOM 9942 H2 TIP3A2047 25.748 28.538 31.752 1.00 0.00 WATA H ATOM 9943 OH2 TIP3A2048 23.994 27.647 8.979 1.00 0.00 WATA O ATOM 9944 H1 TIP3A2048 23.326 28.389 8.917 1.00 0.00 WATA H ATOM 9945 H2 TIP3A2048 23.524 26.768 8.909 1.00 0.00 WATA H ATOM 9946 OH2 TIP3A2049 19.662 -49.225 -1.944 1.00 0.00 WATA O ATOM 9947 H1 TIP3A2049 18.824 -49.771 -1.928 1.00 0.00 WATA H ATOM 9948 H2 TIP3A2049 20.409 -49.772 -2.321 1.00 0.00 WATA H ATOM 9949 OH2 TIP3A2050 -23.749 6.709 -41.447 1.00 0.00 WATA O ATOM 9950 H1 TIP3A2050 -22.771 6.513 -41.517 1.00 0.00 WATA H ATOM 9951 H2 TIP3A2050 -23.887 7.696 -41.371 1.00 0.00 WATA H ATOM 9952 OH2 TIP3A2051 16.533 -25.321 -10.910 1.00 0.00 WATA O ATOM 9953 H1 TIP3A2051 16.667 -26.278 -10.650 1.00 0.00 WATA H ATOM 9954 H2 TIP3A2051 17.421 -24.892 -11.072 1.00 0.00 WATA H ATOM 9955 OH2 TIP3A2052 -47.300 -10.626 51.664 1.00 0.00 WATA O ATOM 9956 H1 TIP3A2052 -47.246 -10.835 50.687 1.00 0.00 WATA H ATOM 9957 H2 TIP3A2052 -48.119 -11.048 52.051 1.00 0.00 WATA H ATOM 9958 OH2 TIP3A2053 28.460 -1.365 -28.158 1.00 0.00 WATA O ATOM 9959 H1 TIP3A2053 29.252 -0.754 -28.144 1.00 0.00 WATA H ATOM 9960 H2 TIP3A2053 28.771 -2.314 -28.173 1.00 0.00 WATA H ATOM 9961 OH2 TIP3A2054 40.788 15.364 3.535 1.00 0.00 WATA O ATOM 9962 H1 TIP3A2054 40.183 16.160 3.518 1.00 0.00 WATA H ATOM 9963 H2 TIP3A2054 41.739 15.668 3.565 1.00 0.00 WATA H ATOM 9964 OH2 TIP3A2055 6.561 -43.323 -41.678 1.00 0.00 WATA O ATOM 9965 H1 TIP3A2055 5.919 -42.794 -42.234 1.00 0.00 WATA H ATOM 9966 H2 TIP3A2055 7.473 -42.920 -41.748 1.00 0.00 WATA H ATOM 9967 OH2 TIP3A2056 -34.469 31.312 11.095 1.00 0.00 WATA O ATOM 9968 H1 TIP3A2056 -35.297 31.828 11.313 1.00 0.00 WATA H ATOM 9969 H2 TIP3A2056 -34.720 30.421 10.719 1.00 0.00 WATA H ATOM 9970 OH2 TIP3A2057 43.968 -4.428 -48.262 1.00 0.00 WATA O ATOM 9971 H1 TIP3A2057 44.625 -5.181 -48.216 1.00 0.00 WATA H ATOM 9972 H2 TIP3A2057 44.077 -3.943 -49.128 1.00 0.00 WATA H ATOM 9973 OH2 TIP3A2058 23.528 46.992 -10.669 1.00 0.00 WATA O ATOM 9974 H1 TIP3A2058 24.410 47.456 -10.581 1.00 0.00 WATA H ATOM 9975 H2 TIP3A2058 22.797 47.672 -10.712 1.00 0.00 WATA H ATOM 9976 OH2 TIP3A2059 -27.792 -8.164 -10.710 1.00 0.00 WATA O ATOM 9977 H1 TIP3A2059 -27.090 -7.692 -11.245 1.00 0.00 WATA H ATOM 9978 H2 TIP3A2059 -27.773 -7.832 -9.768 1.00 0.00 WATA H ATOM 9979 OH2 TIP3A2060 33.448 -35.886 23.086 1.00 0.00 WATA O ATOM 9980 H1 TIP3A2060 32.921 -35.639 22.272 1.00 0.00 WATA H ATOM 9981 H2 TIP3A2060 34.391 -36.089 22.823 1.00 0.00 WATA H ATOM 9982 OH2 TIP3A2061 -28.130 38.344 -3.724 1.00 0.00 WATA O ATOM 9983 H1 TIP3A2061 -28.236 38.425 -2.733 1.00 0.00 WATA H ATOM 9984 H2 TIP3A2061 -27.391 38.942 -4.031 1.00 0.00 WATA H ATOM 9985 OH2 TIP3A2062 42.500 -44.812 4.781 1.00 0.00 WATA O ATOM 9986 H1 TIP3A2062 42.793 -45.768 4.815 1.00 0.00 WATA H ATOM 9987 H2 TIP3A2062 43.294 -44.215 4.892 1.00 0.00 WATA H ATOM 9988 OH2 TIP3A2063 -46.639 -46.938 -41.057 1.00 0.00 WATA O ATOM 9989 H1 TIP3A2063 -45.757 -47.125 -41.489 1.00 0.00 WATA H ATOM 9990 H2 TIP3A2063 -47.033 -47.792 -40.719 1.00 0.00 WATA H ATOM 9991 OH2 TIP3A2064 -1.881 -23.451 48.442 1.00 0.00 WATA O ATOM 9992 H1 TIP3A2064 -1.017 -23.249 47.981 1.00 0.00 WATA H ATOM 9993 H2 TIP3A2064 -2.408 -22.608 48.547 1.00 0.00 WATA H ATOM 9994 OH2 TIP3A2065 21.854 -18.766 -49.432 1.00 0.00 WATA O ATOM 9995 H1 TIP3A2065 21.265 -18.263 -48.799 1.00 0.00 WATA H ATOM 9996 H2 TIP3A2065 22.523 -18.141 -49.832 1.00 0.00 WATA H ATOM 9997 OH2 TIP3A2066 -18.307 -11.349 1.915 1.00 0.00 WATA O ATOM 9998 H1 TIP3A2066 -17.555 -10.690 1.947 1.00 0.00 WATA H ATOM 9999 H2 TIP3A2066 -18.591 -11.486 0.967 1.00 0.00 WATA H ATOM 10000 OH2 TIP3A2067 -52.227 26.262 3.355 1.00 0.00 WATA O ATOM 10001 H1 TIP3A2067 -53.065 26.611 2.935 1.00 0.00 WATA H ATOM 10002 H2 TIP3A2067 -51.844 26.957 3.963 1.00 0.00 WATA H ATOM 10003 OH2 TIP3A2068 -28.781 -4.138 6.233 1.00 0.00 WATA O ATOM 10004 H1 TIP3A2068 -29.772 -4.070 6.350 1.00 0.00 WATA H ATOM 10005 H2 TIP3A2068 -28.513 -5.100 6.202 1.00 0.00 WATA H ATOM 10006 OH2 TIP3A2069 18.181 17.814 -23.679 1.00 0.00 WATA O ATOM 10007 H1 TIP3A2069 18.708 17.146 -23.155 1.00 0.00 WATA H ATOM 10008 H2 TIP3A2069 17.594 17.338 -24.333 1.00 0.00 WATA H ATOM 10009 OH2 TIP3A2070 0.247 -34.506 17.237 1.00 0.00 WATA O ATOM 10010 H1 TIP3A2070 -0.034 -34.871 16.349 1.00 0.00 WATA H ATOM 10011 H2 TIP3A2070 -0.360 -33.757 17.499 1.00 0.00 WATA H ATOM 10012 OH2 TIP3A2071 20.164 34.984 20.243 1.00 0.00 WATA O ATOM 10013 H1 TIP3A2071 19.203 34.769 20.071 1.00 0.00 WATA H ATOM 10014 H2 TIP3A2071 20.231 35.873 20.696 1.00 0.00 WATA H ATOM 10015 OH2 TIP3A2072 21.013 18.498 33.674 1.00 0.00 WATA O ATOM 10016 H1 TIP3A2072 21.121 18.773 32.718 1.00 0.00 WATA H ATOM 10017 H2 TIP3A2072 20.348 17.754 33.734 1.00 0.00 WATA H ATOM 10018 OH2 TIP3A2073 32.917 43.468 -6.932 1.00 0.00 WATA O ATOM 10019 H1 TIP3A2073 32.494 42.563 -6.988 1.00 0.00 WATA H ATOM 10020 H2 TIP3A2073 32.756 43.965 -7.784 1.00 0.00 WATA H ATOM 10021 OH2 TIP3A2074 -5.545 49.451 -3.233 1.00 0.00 WATA O ATOM 10022 H1 TIP3A2074 -6.451 49.413 -2.812 1.00 0.00 WATA H ATOM 10023 H2 TIP3A2074 -5.299 48.545 -3.577 1.00 0.00 WATA H ATOM 10024 OH2 TIP3A2075 21.905 49.067 24.709 1.00 0.00 WATA O ATOM 10025 H1 TIP3A2075 21.929 49.462 25.628 1.00 0.00 WATA H ATOM 10026 H2 TIP3A2075 22.831 49.039 24.333 1.00 0.00 WATA H ATOM 10027 OH2 TIP3A2076 -23.670 10.432 20.013 1.00 0.00 WATA O ATOM 10028 H1 TIP3A2076 -23.112 9.746 20.478 1.00 0.00 WATA H ATOM 10029 H2 TIP3A2076 -23.204 10.735 19.182 1.00 0.00 WATA H ATOM 10030 OH2 TIP3A2077 32.192 -27.326 42.983 1.00 0.00 WATA O ATOM 10031 H1 TIP3A2077 31.464 -28.011 42.952 1.00 0.00 WATA H ATOM 10032 H2 TIP3A2077 33.080 -27.780 42.923 1.00 0.00 WATA H ATOM 10033 OH2 TIP3A2078 40.357 -24.113 -2.984 1.00 0.00 WATA O ATOM 10034 H1 TIP3A2078 40.858 -23.266 -2.806 1.00 0.00 WATA H ATOM 10035 H2 TIP3A2078 39.386 -23.908 -3.103 1.00 0.00 WATA H ATOM 10036 OH2 TIP3A2079 15.285 38.124 43.701 1.00 0.00 WATA O ATOM 10037 H1 TIP3A2079 16.148 37.850 44.126 1.00 0.00 WATA H ATOM 10038 H2 TIP3A2079 15.334 39.087 43.437 1.00 0.00 WATA H ATOM 10039 OH2 TIP3A2080 49.289 -14.796 6.906 1.00 0.00 WATA O ATOM 10040 H1 TIP3A2080 49.732 -15.683 6.773 1.00 0.00 WATA H ATOM 10041 H2 TIP3A2080 49.983 -14.098 7.079 1.00 0.00 WATA H ATOM 10042 OH2 TIP3A2081 -34.553 -15.533 -41.998 1.00 0.00 WATA O ATOM 10043 H1 TIP3A2081 -33.776 -16.140 -41.832 1.00 0.00 WATA H ATOM 10044 H2 TIP3A2081 -34.746 -15.003 -41.173 1.00 0.00 WATA H ATOM 10045 OH2 TIP3A2082 40.380 7.953 30.822 1.00 0.00 WATA O ATOM 10046 H1 TIP3A2082 39.637 7.316 30.616 1.00 0.00 WATA H ATOM 10047 H2 TIP3A2082 41.258 7.488 30.712 1.00 0.00 WATA H ATOM 10048 OH2 TIP3A2083 25.443 -47.432 -15.280 1.00 0.00 WATA O ATOM 10049 H1 TIP3A2083 24.748 -47.830 -14.680 1.00 0.00 WATA H ATOM 10050 H2 TIP3A2083 26.066 -48.149 -15.591 1.00 0.00 WATA H ATOM 10051 OH2 TIP3A2084 -31.699 15.609 8.421 1.00 0.00 WATA O ATOM 10052 H1 TIP3A2084 -30.797 15.519 7.999 1.00 0.00 WATA H ATOM 10053 H2 TIP3A2084 -31.771 14.980 9.194 1.00 0.00 WATA H ATOM 10054 OH2 TIP3A2085 -41.352 -46.507 42.227 1.00 0.00 WATA O ATOM 10055 H1 TIP3A2085 -41.493 -47.471 41.999 1.00 0.00 WATA H ATOM 10056 H2 TIP3A2085 -42.229 -46.028 42.209 1.00 0.00 WATA H ATOM 10057 OH2 TIP3A2086 -30.226 -41.958 -5.771 1.00 0.00 WATA O ATOM 10058 H1 TIP3A2086 -30.160 -42.393 -6.669 1.00 0.00 WATA H ATOM 10059 H2 TIP3A2086 -31.160 -42.045 -5.426 1.00 0.00 WATA H ATOM 10060 OH2 TIP3A2087 -21.075 -8.386 -53.105 1.00 0.00 WATA O ATOM 10061 H1 TIP3A2087 -20.949 -9.378 -53.139 1.00 0.00 WATA H ATOM 10062 H2 TIP3A2087 -20.184 -7.939 -53.034 1.00 0.00 WATA H ATOM 10063 OH2 TIP3A2088 -33.897 47.832 52.468 1.00 0.00 WATA O ATOM 10064 H1 TIP3A2088 -34.292 48.219 53.302 1.00 0.00 WATA H ATOM 10065 H2 TIP3A2088 -34.500 48.022 51.694 1.00 0.00 WATA H ATOM 10066 OH2 TIP3A2089 35.461 11.650 -17.656 1.00 0.00 WATA O ATOM 10067 H1 TIP3A2089 35.134 10.803 -18.074 1.00 0.00 WATA H ATOM 10068 H2 TIP3A2089 34.703 12.105 -17.188 1.00 0.00 WATA H ATOM 10069 OH2 TIP3A2090 -52.435 -35.560 24.561 1.00 0.00 WATA O ATOM 10070 H1 TIP3A2090 -53.345 -35.188 24.745 1.00 0.00 WATA H ATOM 10071 H2 TIP3A2090 -51.742 -34.886 24.815 1.00 0.00 WATA H ATOM 10072 OH2 TIP3A2091 8.896 -22.864 11.811 1.00 0.00 WATA O ATOM 10073 H1 TIP3A2091 8.492 -23.731 11.520 1.00 0.00 WATA H ATOM 10074 H2 TIP3A2091 9.501 -23.022 12.590 1.00 0.00 WATA H ATOM 10075 OH2 TIP3A2092 -8.214 -2.092 37.908 1.00 0.00 WATA O ATOM 10076 H1 TIP3A2092 -9.170 -1.957 38.170 1.00 0.00 WATA H ATOM 10077 H2 TIP3A2092 -8.035 -1.618 37.046 1.00 0.00 WATA H ATOM 10078 OH2 TIP3A2093 -51.673 -12.772 -42.395 1.00 0.00 WATA O ATOM 10079 H1 TIP3A2093 -51.390 -11.812 -42.371 1.00 0.00 WATA H ATOM 10080 H2 TIP3A2093 -52.665 -12.829 -42.297 1.00 0.00 WATA H ATOM 10081 OH2 TIP3A2094 -4.154 -44.071 -1.996 1.00 0.00 WATA O ATOM 10082 H1 TIP3A2094 -3.985 -45.049 -1.877 1.00 0.00 WATA H ATOM 10083 H2 TIP3A2094 -5.060 -43.935 -2.395 1.00 0.00 WATA H ATOM 10084 OH2 TIP3A2095 29.205 -12.404 -44.156 1.00 0.00 WATA O ATOM 10085 H1 TIP3A2095 29.406 -13.384 -44.131 1.00 0.00 WATA H ATOM 10086 H2 TIP3A2095 28.216 -12.266 -44.139 1.00 0.00 WATA H ATOM 10087 OH2 TIP3A2096 -14.033 -41.043 39.578 1.00 0.00 WATA O ATOM 10088 H1 TIP3A2096 -14.138 -41.963 39.957 1.00 0.00 WATA H ATOM 10089 H2 TIP3A2096 -13.073 -40.885 39.348 1.00 0.00 WATA H ATOM 10090 OH2 TIP3A2097 -37.581 -26.896 22.925 1.00 0.00 WATA O ATOM 10091 H1 TIP3A2097 -36.595 -27.063 22.925 1.00 0.00 WATA H ATOM 10092 H2 TIP3A2097 -37.978 -27.248 22.078 1.00 0.00 WATA H ATOM 10093 OH2 TIP3A2098 -19.448 18.558 -36.383 1.00 0.00 WATA O ATOM 10094 H1 TIP3A2098 -18.540 18.268 -36.080 1.00 0.00 WATA H ATOM 10095 H2 TIP3A2098 -19.425 19.526 -36.628 1.00 0.00 WATA H ATOM 10096 OH2 TIP3A2099 16.081 -43.774 -2.967 1.00 0.00 WATA O ATOM 10097 H1 TIP3A2099 15.619 -44.341 -3.648 1.00 0.00 WATA H ATOM 10098 H2 TIP3A2099 17.071 -43.847 -3.088 1.00 0.00 WATA H ATOM 10099 OH2 TIP3A2100 -40.256 -37.661 -42.772 1.00 0.00 WATA O ATOM 10100 H1 TIP3A2100 -40.397 -38.481 -42.217 1.00 0.00 WATA H ATOM 10101 H2 TIP3A2100 -41.134 -37.344 -43.129 1.00 0.00 WATA H ATOM 10102 OH2 TIP3A2101 -7.109 41.936 -41.301 1.00 0.00 WATA O ATOM 10103 H1 TIP3A2101 -6.114 42.030 -41.268 1.00 0.00 WATA H ATOM 10104 H2 TIP3A2101 -7.424 41.447 -40.488 1.00 0.00 WATA H ATOM 10105 OH2 TIP3A2102 37.108 -27.434 10.094 1.00 0.00 WATA O ATOM 10106 H1 TIP3A2102 37.141 -28.409 10.314 1.00 0.00 WATA H ATOM 10107 H2 TIP3A2102 36.156 -27.147 9.996 1.00 0.00 WATA H ATOM 10108 OH2 TIP3A2103 34.413 2.550 33.929 1.00 0.00 WATA O ATOM 10109 H1 TIP3A2103 34.000 3.155 34.609 1.00 0.00 WATA H ATOM 10110 H2 TIP3A2103 33.902 1.692 33.891 1.00 0.00 WATA H ATOM 10111 OH2 TIP3A2104 -39.469 27.136 -47.248 1.00 0.00 WATA O ATOM 10112 H1 TIP3A2104 -38.875 26.484 -46.775 1.00 0.00 WATA H ATOM 10113 H2 TIP3A2104 -40.071 26.644 -47.875 1.00 0.00 WATA H ATOM 10114 OH2 TIP3A2105 3.503 39.442 -4.340 1.00 0.00 WATA O ATOM 10115 H1 TIP3A2105 2.957 40.165 -3.915 1.00 0.00 WATA H ATOM 10116 H2 TIP3A2105 2.928 38.911 -4.961 1.00 0.00 WATA H ATOM 10117 OH2 TIP3A2106 14.419 -34.851 -40.512 1.00 0.00 WATA O ATOM 10118 H1 TIP3A2106 13.917 -35.491 -39.929 1.00 0.00 WATA H ATOM 10119 H2 TIP3A2106 13.771 -34.298 -41.035 1.00 0.00 WATA H ATOM 10120 OH2 TIP3A2107 -12.778 -34.182 20.876 1.00 0.00 WATA O ATOM 10121 H1 TIP3A2107 -13.325 -34.700 20.218 1.00 0.00 WATA H ATOM 10122 H2 TIP3A2107 -13.360 -33.883 21.631 1.00 0.00 WATA H ATOM 10123 OH2 TIP3A2108 28.457 28.601 29.755 1.00 0.00 WATA O ATOM 10124 H1 TIP3A2108 29.062 27.806 29.705 1.00 0.00 WATA H ATOM 10125 H2 TIP3A2108 29.005 29.436 29.793 1.00 0.00 WATA H ATOM 10126 OH2 TIP3A2109 -14.268 -0.862 -45.381 1.00 0.00 WATA O ATOM 10127 H1 TIP3A2109 -14.686 -0.649 -46.265 1.00 0.00 WATA H ATOM 10128 H2 TIP3A2109 -13.982 -1.819 -45.370 1.00 0.00 WATA H ATOM 10129 OH2 TIP3A2110 -4.446 -22.695 8.980 1.00 0.00 WATA O ATOM 10130 H1 TIP3A2110 -4.647 -21.745 8.743 1.00 0.00 WATA H ATOM 10131 H2 TIP3A2110 -3.496 -22.770 9.282 1.00 0.00 WATA H ATOM 10132 OH2 TIP3A2111 48.311 -15.890 -39.519 1.00 0.00 WATA O ATOM 10133 H1 TIP3A2111 48.120 -16.780 -39.104 1.00 0.00 WATA H ATOM 10134 H2 TIP3A2111 47.451 -15.455 -39.783 1.00 0.00 WATA H ATOM 10135 OH2 TIP3A2112 40.268 -8.861 43.547 1.00 0.00 WATA O ATOM 10136 H1 TIP3A2112 40.596 -7.923 43.661 1.00 0.00 WATA H ATOM 10137 H2 TIP3A2112 39.315 -8.845 43.246 1.00 0.00 WATA H ATOM 10138 OH2 TIP3A2113 41.036 45.726 -21.990 1.00 0.00 WATA O ATOM 10139 H1 TIP3A2113 41.210 46.695 -22.169 1.00 0.00 WATA H ATOM 10140 H2 TIP3A2113 40.076 45.520 -22.178 1.00 0.00 WATA H ATOM 10141 OH2 TIP3A2114 35.555 -12.296 2.992 1.00 0.00 WATA O ATOM 10142 H1 TIP3A2114 34.925 -11.559 3.238 1.00 0.00 WATA H ATOM 10143 H2 TIP3A2114 35.363 -12.602 2.060 1.00 0.00 WATA H ATOM 10144 OH2 TIP3A2115 9.966 39.043 -38.433 1.00 0.00 WATA O ATOM 10145 H1 TIP3A2115 10.124 39.522 -39.297 1.00 0.00 WATA H ATOM 10146 H2 TIP3A2115 8.983 38.937 -38.285 1.00 0.00 WATA H ATOM 10147 OH2 TIP3A2116 -51.079 51.501 -35.656 1.00 0.00 WATA O ATOM 10148 H1 TIP3A2116 -51.844 50.857 -35.675 1.00 0.00 WATA H ATOM 10149 H2 TIP3A2116 -51.396 52.405 -35.939 1.00 0.00 WATA H ATOM 10150 OH2 TIP3A2117 -41.267 40.697 -15.095 1.00 0.00 WATA O ATOM 10151 H1 TIP3A2117 -40.750 41.532 -14.906 1.00 0.00 WATA H ATOM 10152 H2 TIP3A2117 -42.213 40.815 -14.796 1.00 0.00 WATA H ATOM 10153 OH2 TIP3A2118 -40.086 15.587 -9.008 1.00 0.00 WATA O ATOM 10154 H1 TIP3A2118 -39.812 14.768 -8.502 1.00 0.00 WATA H ATOM 10155 H2 TIP3A2118 -40.324 16.313 -8.364 1.00 0.00 WATA H ATOM 10156 OH2 TIP3A2119 23.262 9.902 -39.979 1.00 0.00 WATA O ATOM 10157 H1 TIP3A2119 23.790 10.507 -39.382 1.00 0.00 WATA H ATOM 10158 H2 TIP3A2119 22.926 10.418 -40.765 1.00 0.00 WATA H ATOM 10159 OH2 TIP3A2120 4.430 39.972 -6.367 1.00 0.00 WATA O ATOM 10160 H1 TIP3A2120 4.865 40.370 -7.175 1.00 0.00 WATA H ATOM 10161 H2 TIP3A2120 4.939 39.160 -6.080 1.00 0.00 WATA H ATOM 10162 OH2 TIP3A2121 11.980 -42.568 -20.387 1.00 0.00 WATA O ATOM 10163 H1 TIP3A2121 12.951 -42.809 -20.402 1.00 0.00 WATA H ATOM 10164 H2 TIP3A2121 11.445 -43.312 -20.786 1.00 0.00 WATA H ATOM 10165 OH2 TIP3A2122 5.849 48.251 -25.963 1.00 0.00 WATA O ATOM 10166 H1 TIP3A2122 6.620 47.850 -26.459 1.00 0.00 WATA H ATOM 10167 H2 TIP3A2122 5.003 47.796 -26.236 1.00 0.00 WATA H ATOM 10168 OH2 TIP3A2123 -48.729 -11.631 -6.072 1.00 0.00 WATA O ATOM 10169 H1 TIP3A2123 -48.241 -12.036 -6.846 1.00 0.00 WATA H ATOM 10170 H2 TIP3A2123 -48.144 -10.954 -5.626 1.00 0.00 WATA H ATOM 10171 OH2 TIP3A2124 -50.717 -21.808 45.404 1.00 0.00 WATA O ATOM 10172 H1 TIP3A2124 -50.090 -21.082 45.687 1.00 0.00 WATA H ATOM 10173 H2 TIP3A2124 -51.516 -21.812 46.005 1.00 0.00 WATA H ATOM 10174 OH2 TIP3A2125 -39.794 -2.309 -8.900 1.00 0.00 WATA O ATOM 10175 H1 TIP3A2125 -39.884 -1.317 -8.990 1.00 0.00 WATA H ATOM 10176 H2 TIP3A2125 -38.950 -2.608 -9.344 1.00 0.00 WATA H ATOM 10177 OH2 TIP3A2126 -4.737 19.989 34.529 1.00 0.00 WATA O ATOM 10178 H1 TIP3A2126 -3.797 19.876 34.206 1.00 0.00 WATA H ATOM 10179 H2 TIP3A2126 -5.147 20.788 34.090 1.00 0.00 WATA H ATOM 10180 OH2 TIP3A2127 9.384 28.300 -7.645 1.00 0.00 WATA O ATOM 10181 H1 TIP3A2127 9.578 28.585 -8.584 1.00 0.00 WATA H ATOM 10182 H2 TIP3A2127 8.491 28.653 -7.367 1.00 0.00 WATA H ATOM 10183 OH2 TIP3A2128 -33.805 24.216 10.125 1.00 0.00 WATA O ATOM 10184 H1 TIP3A2128 -34.711 24.636 10.085 1.00 0.00 WATA H ATOM 10185 H2 TIP3A2128 -33.106 24.930 10.139 1.00 0.00 WATA H ATOM 10186 OH2 TIP3A2129 28.067 34.370 -28.154 1.00 0.00 WATA O ATOM 10187 H1 TIP3A2129 28.065 34.740 -29.083 1.00 0.00 WATA H ATOM 10188 H2 TIP3A2129 27.900 33.386 -28.186 1.00 0.00 WATA H ATOM 10189 OH2 TIP3A2130 -29.080 12.410 -50.409 1.00 0.00 WATA O ATOM 10190 H1 TIP3A2130 -28.598 12.517 -51.279 1.00 0.00 WATA H ATOM 10191 H2 TIP3A2130 -29.715 13.172 -50.283 1.00 0.00 WATA H ATOM 10192 OH2 TIP3A2131 -0.842 52.638 -31.631 1.00 0.00 WATA O ATOM 10193 H1 TIP3A2131 -1.547 53.345 -31.575 1.00 0.00 WATA H ATOM 10194 H2 TIP3A2131 -1.271 51.750 -31.790 1.00 0.00 WATA H ATOM 10195 OH2 TIP3A2132 -51.566 18.988 37.462 1.00 0.00 WATA O ATOM 10196 H1 TIP3A2132 -51.041 19.787 37.167 1.00 0.00 WATA H ATOM 10197 H2 TIP3A2132 -50.984 18.176 37.430 1.00 0.00 WATA H ATOM 10198 OH2 TIP3A2133 -27.906 -31.195 -33.528 1.00 0.00 WATA O ATOM 10199 H1 TIP3A2133 -28.583 -31.866 -33.829 1.00 0.00 WATA H ATOM 10200 H2 TIP3A2133 -27.011 -31.429 -33.907 1.00 0.00 WATA H ATOM 10201 OH2 TIP3A2134 17.008 17.965 -21.499 1.00 0.00 WATA O ATOM 10202 H1 TIP3A2134 17.072 16.986 -21.693 1.00 0.00 WATA H ATOM 10203 H2 TIP3A2134 16.599 18.434 -22.281 1.00 0.00 WATA H ATOM 10204 OH2 TIP3A2135 7.014 -30.859 49.661 1.00 0.00 WATA O ATOM 10205 H1 TIP3A2135 7.301 -31.441 48.900 1.00 0.00 WATA H ATOM 10206 H2 TIP3A2135 7.597 -30.048 49.699 1.00 0.00 WATA H ATOM 10207 OH2 TIP3A2136 -48.507 -30.088 -40.873 1.00 0.00 WATA O ATOM 10208 H1 TIP3A2136 -48.714 -29.111 -40.821 1.00 0.00 WATA H ATOM 10209 H2 TIP3A2136 -47.516 -30.220 -40.870 1.00 0.00 WATA H ATOM 10210 OH2 TIP3A2137 19.369 -9.466 38.775 1.00 0.00 WATA O ATOM 10211 H1 TIP3A2137 19.103 -8.740 38.141 1.00 0.00 WATA H ATOM 10212 H2 TIP3A2137 20.365 -9.493 38.852 1.00 0.00 WATA H ATOM 10213 OH2 TIP3A2138 31.434 -42.518 38.854 1.00 0.00 WATA O ATOM 10214 H1 TIP3A2138 32.182 -41.855 38.807 1.00 0.00 WATA H ATOM 10215 H2 TIP3A2138 30.669 -42.197 38.297 1.00 0.00 WATA H ATOM 10216 OH2 TIP3A2139 -19.140 10.006 41.475 1.00 0.00 WATA O ATOM 10217 H1 TIP3A2139 -19.294 9.549 42.352 1.00 0.00 WATA H ATOM 10218 H2 TIP3A2139 -18.868 9.330 40.791 1.00 0.00 WATA H ATOM 10219 OH2 TIP3A2140 -51.711 52.921 45.374 1.00 0.00 WATA O ATOM 10220 H1 TIP3A2140 -52.158 53.345 46.162 1.00 0.00 WATA H ATOM 10221 H2 TIP3A2140 -51.288 52.059 45.654 1.00 0.00 WATA H ATOM 10222 OH2 TIP3A2141 13.064 -21.711 -27.634 1.00 0.00 WATA O ATOM 10223 H1 TIP3A2141 13.800 -21.319 -28.187 1.00 0.00 WATA H ATOM 10224 H2 TIP3A2141 13.356 -22.594 -27.269 1.00 0.00 WATA H ATOM 10225 OH2 TIP3A2142 -20.878 -13.951 -15.607 1.00 0.00 WATA O ATOM 10226 H1 TIP3A2142 -21.269 -13.391 -14.876 1.00 0.00 WATA H ATOM 10227 H2 TIP3A2142 -21.578 -14.137 -16.296 1.00 0.00 WATA H ATOM 10228 OH2 TIP3A2143 29.917 -39.513 39.414 1.00 0.00 WATA O ATOM 10229 H1 TIP3A2143 30.756 -39.528 39.958 1.00 0.00 WATA H ATOM 10230 H2 TIP3A2143 29.650 -40.449 39.185 1.00 0.00 WATA H ATOM 10231 OH2 TIP3A2144 34.363 -41.014 -45.256 1.00 0.00 WATA O ATOM 10232 H1 TIP3A2144 35.292 -40.914 -44.899 1.00 0.00 WATA H ATOM 10233 H2 TIP3A2144 34.402 -41.223 -46.232 1.00 0.00 WATA H ATOM 10234 OH2 TIP3A2145 -39.121 32.191 -47.425 1.00 0.00 WATA O ATOM 10235 H1 TIP3A2145 -39.274 32.550 -48.346 1.00 0.00 WATA H ATOM 10236 H2 TIP3A2145 -38.204 32.441 -47.117 1.00 0.00 WATA H ATOM 10237 OH2 TIP3A2146 -33.257 48.567 17.552 1.00 0.00 WATA O ATOM 10238 H1 TIP3A2146 -32.398 49.073 17.631 1.00 0.00 WATA H ATOM 10239 H2 TIP3A2146 -33.151 47.663 17.964 1.00 0.00 WATA H ATOM 10240 OH2 TIP3A2147 9.731 5.093 50.058 1.00 0.00 WATA O ATOM 10241 H1 TIP3A2147 9.450 4.490 50.804 1.00 0.00 WATA H ATOM 10242 H2 TIP3A2147 9.076 5.021 49.306 1.00 0.00 WATA H ATOM 10243 OH2 TIP3A2148 17.667 37.288 51.559 1.00 0.00 WATA O ATOM 10244 H1 TIP3A2148 16.824 36.812 51.811 1.00 0.00 WATA H ATOM 10245 H2 TIP3A2148 17.441 38.167 51.141 1.00 0.00 WATA H ATOM 10246 OH2 TIP3A2149 13.971 -41.571 -10.969 1.00 0.00 WATA O ATOM 10247 H1 TIP3A2149 13.079 -41.252 -11.288 1.00 0.00 WATA H ATOM 10248 H2 TIP3A2149 14.190 -42.442 -11.406 1.00 0.00 WATA H ATOM 10249 OH2 TIP3A2150 38.682 3.772 -16.804 1.00 0.00 WATA O ATOM 10250 H1 TIP3A2150 38.243 2.878 -16.904 1.00 0.00 WATA H ATOM 10251 H2 TIP3A2150 39.666 3.679 -16.955 1.00 0.00 WATA H ATOM 10252 OH2 TIP3A2151 -0.197 53.197 23.110 1.00 0.00 WATA O ATOM 10253 H1 TIP3A2151 -1.156 53.096 22.844 1.00 0.00 WATA H ATOM 10254 H2 TIP3A2151 0.145 52.327 23.462 1.00 0.00 WATA H ATOM 10255 OH2 TIP3A2152 17.040 30.839 49.837 1.00 0.00 WATA O ATOM 10256 H1 TIP3A2152 17.369 30.523 48.947 1.00 0.00 WATA H ATOM 10257 H2 TIP3A2152 16.627 31.744 49.738 1.00 0.00 WATA H ATOM 10258 OH2 TIP3A2153 -18.586 -4.704 31.006 1.00 0.00 WATA O ATOM 10259 H1 TIP3A2153 -17.836 -5.327 30.783 1.00 0.00 WATA H ATOM 10260 H2 TIP3A2153 -18.222 -3.786 31.163 1.00 0.00 WATA H ATOM 10261 OH2 TIP3A2154 48.973 -21.639 -35.217 1.00 0.00 WATA O ATOM 10262 H1 TIP3A2154 48.529 -22.533 -35.145 1.00 0.00 WATA H ATOM 10263 H2 TIP3A2154 49.964 -21.761 -35.250 1.00 0.00 WATA H ATOM 10264 OH2 TIP3A2155 -47.818 -22.986 31.977 1.00 0.00 WATA O ATOM 10265 H1 TIP3A2155 -47.805 -23.193 30.998 1.00 0.00 WATA H ATOM 10266 H2 TIP3A2155 -47.873 -21.997 32.108 1.00 0.00 WATA H ATOM 10267 OH2 TIP3A2156 -27.767 -26.786 -7.435 1.00 0.00 WATA O ATOM 10268 H1 TIP3A2156 -27.111 -26.851 -8.187 1.00 0.00 WATA H ATOM 10269 H2 TIP3A2156 -27.822 -27.666 -6.963 1.00 0.00 WATA H ATOM 10270 OH2 TIP3A2157 -4.932 -33.032 -0.798 1.00 0.00 WATA O ATOM 10271 H1 TIP3A2157 -4.216 -32.554 -1.308 1.00 0.00 WATA H ATOM 10272 H2 TIP3A2157 -5.620 -32.374 -0.493 1.00 0.00 WATA H ATOM 10273 OH2 TIP3A2158 -28.139 -4.808 8.661 1.00 0.00 WATA O ATOM 10274 H1 TIP3A2158 -27.528 -4.307 8.048 1.00 0.00 WATA H ATOM 10275 H2 TIP3A2158 -29.079 -4.733 8.330 1.00 0.00 WATA H ATOM 10276 OH2 TIP3A2159 -50.033 21.303 28.344 1.00 0.00 WATA O ATOM 10277 H1 TIP3A2159 -50.002 20.631 29.084 1.00 0.00 WATA H ATOM 10278 H2 TIP3A2159 -50.623 20.965 27.611 1.00 0.00 WATA H ATOM 10279 OH2 TIP3A2160 48.080 34.406 -47.024 1.00 0.00 WATA O ATOM 10280 H1 TIP3A2160 48.146 35.072 -46.280 1.00 0.00 WATA H ATOM 10281 H2 TIP3A2160 48.025 33.484 -46.642 1.00 0.00 WATA H ATOM 10282 OH2 TIP3A2161 -13.733 -45.419 -28.864 1.00 0.00 WATA O ATOM 10283 H1 TIP3A2161 -12.853 -45.011 -28.619 1.00 0.00 WATA H ATOM 10284 H2 TIP3A2161 -14.445 -44.718 -28.839 1.00 0.00 WATA H ATOM 10285 OH2 TIP3A2162 27.659 -15.523 -16.812 1.00 0.00 WATA O ATOM 10286 H1 TIP3A2162 26.858 -16.123 -16.814 1.00 0.00 WATA H ATOM 10287 H2 TIP3A2162 28.491 -16.078 -16.828 1.00 0.00 WATA H ATOM 10288 OH2 TIP3A2163 28.088 10.999 -30.040 1.00 0.00 WATA O ATOM 10289 H1 TIP3A2163 28.965 10.546 -30.202 1.00 0.00 WATA H ATOM 10290 H2 TIP3A2163 28.245 11.960 -29.818 1.00 0.00 WATA H ATOM 10291 OH2 TIP3A2164 17.410 32.589 29.257 1.00 0.00 WATA O ATOM 10292 H1 TIP3A2164 17.325 33.564 29.052 1.00 0.00 WATA H ATOM 10293 H2 TIP3A2164 18.347 32.388 29.542 1.00 0.00 WATA H ATOM 10294 OH2 TIP3A2165 52.256 -25.389 -29.879 1.00 0.00 WATA O ATOM 10295 H1 TIP3A2165 52.655 -24.479 -29.767 1.00 0.00 WATA H ATOM 10296 H2 TIP3A2165 52.694 -26.027 -29.246 1.00 0.00 WATA H ATOM 10297 OH2 TIP3A2166 24.475 22.878 28.157 1.00 0.00 WATA O ATOM 10298 H1 TIP3A2166 24.490 22.525 29.092 1.00 0.00 WATA H ATOM 10299 H2 TIP3A2166 24.968 22.251 27.555 1.00 0.00 WATA H ATOM 10300 OH2 TIP3A2167 -27.632 10.679 -40.338 1.00 0.00 WATA O ATOM 10301 H1 TIP3A2167 -27.551 9.849 -39.787 1.00 0.00 WATA H ATOM 10302 H2 TIP3A2167 -28.428 10.605 -40.939 1.00 0.00 WATA H ATOM 10303 OH2 TIP3A2168 -41.338 -22.903 -0.397 1.00 0.00 WATA O ATOM 10304 H1 TIP3A2168 -41.480 -23.885 -0.271 1.00 0.00 WATA H ATOM 10305 H2 TIP3A2168 -41.087 -22.721 -1.347 1.00 0.00 WATA H ATOM 10306 OH2 TIP3A2169 -19.753 37.783 -0.434 1.00 0.00 WATA O ATOM 10307 H1 TIP3A2169 -18.833 38.006 -0.112 1.00 0.00 WATA H ATOM 10308 H2 TIP3A2169 -19.952 36.823 -0.240 1.00 0.00 WATA H ATOM 10309 OH2 TIP3A2170 36.950 -19.559 37.148 1.00 0.00 WATA O ATOM 10310 H1 TIP3A2170 37.528 -20.374 37.197 1.00 0.00 WATA H ATOM 10311 H2 TIP3A2170 35.989 -19.827 37.209 1.00 0.00 WATA H ATOM 10312 OH2 TIP3A2171 33.045 -18.918 15.948 1.00 0.00 WATA O ATOM 10313 H1 TIP3A2171 33.951 -19.284 16.165 1.00 0.00 WATA H ATOM 10314 H2 TIP3A2171 32.908 -18.933 14.958 1.00 0.00 WATA H ATOM 10315 OH2 TIP3A2172 46.994 11.708 31.794 1.00 0.00 WATA O ATOM 10316 H1 TIP3A2172 47.228 10.740 31.887 1.00 0.00 WATA H ATOM 10317 H2 TIP3A2172 46.037 11.794 31.518 1.00 0.00 WATA H ATOM 10318 OH2 TIP3A2173 47.079 43.890 0.305 1.00 0.00 WATA O ATOM 10319 H1 TIP3A2173 46.735 44.022 -0.625 1.00 0.00 WATA H ATOM 10320 H2 TIP3A2173 46.363 44.122 0.962 1.00 0.00 WATA H ATOM 10321 OH2 TIP3A2174 50.085 9.153 26.786 1.00 0.00 WATA O ATOM 10322 H1 TIP3A2174 49.336 9.805 26.906 1.00 0.00 WATA H ATOM 10323 H2 TIP3A2174 49.717 8.224 26.749 1.00 0.00 WATA H ATOM 10324 OH2 TIP3A2175 31.289 -30.835 -28.167 1.00 0.00 WATA O ATOM 10325 H1 TIP3A2175 32.181 -31.068 -28.555 1.00 0.00 WATA H ATOM 10326 H2 TIP3A2175 30.899 -31.639 -27.720 1.00 0.00 WATA H ATOM 10327 OH2 TIP3A2176 37.963 -49.999 -17.381 1.00 0.00 WATA O ATOM 10328 H1 TIP3A2176 37.198 -49.398 -17.149 1.00 0.00 WATA H ATOM 10329 H2 TIP3A2176 37.637 -50.941 -17.454 1.00 0.00 WATA H ATOM 10330 OH2 TIP3A2177 -46.090 23.871 -20.142 1.00 0.00 WATA O ATOM 10331 H1 TIP3A2177 -47.087 23.864 -20.055 1.00 0.00 WATA H ATOM 10332 H2 TIP3A2177 -45.840 23.927 -21.108 1.00 0.00 WATA H ATOM 10333 OH2 TIP3A2178 -48.599 15.876 -37.926 1.00 0.00 WATA O ATOM 10334 H1 TIP3A2178 -47.984 16.660 -38.017 1.00 0.00 WATA H ATOM 10335 H2 TIP3A2178 -48.060 15.038 -37.839 1.00 0.00 WATA H ATOM 10336 OH2 TIP3A2179 11.413 -0.891 49.444 1.00 0.00 WATA O ATOM 10337 H1 TIP3A2179 11.046 -1.820 49.393 1.00 0.00 WATA H ATOM 10338 H2 TIP3A2179 10.659 -0.237 49.492 1.00 0.00 WATA H ATOM 10339 OH2 TIP3A2180 16.589 -8.587 -45.046 1.00 0.00 WATA O ATOM 10340 H1 TIP3A2180 16.375 -7.775 -45.589 1.00 0.00 WATA H ATOM 10341 H2 TIP3A2180 16.880 -9.327 -45.652 1.00 0.00 WATA H ATOM 10342 OH2 TIP3A2181 -48.797 52.043 -18.998 1.00 0.00 WATA O ATOM 10343 H1 TIP3A2181 -48.054 51.452 -19.314 1.00 0.00 WATA H ATOM 10344 H2 TIP3A2181 -49.620 51.860 -19.534 1.00 0.00 WATA H ATOM 10345 OH2 TIP3A2182 33.462 -26.560 -6.726 1.00 0.00 WATA O ATOM 10346 H1 TIP3A2182 33.441 -27.263 -7.437 1.00 0.00 WATA H ATOM 10347 H2 TIP3A2182 32.546 -26.179 -6.605 1.00 0.00 WATA H ATOM 10348 OH2 TIP3A2183 -34.535 5.792 -32.751 1.00 0.00 WATA O ATOM 10349 H1 TIP3A2183 -35.318 5.172 -32.701 1.00 0.00 WATA H ATOM 10350 H2 TIP3A2183 -33.687 5.262 -32.732 1.00 0.00 WATA H ATOM 10351 OH2 TIP3A2184 -31.700 -41.259 8.319 1.00 0.00 WATA O ATOM 10352 H1 TIP3A2184 -32.639 -41.587 8.214 1.00 0.00 WATA H ATOM 10353 H2 TIP3A2184 -31.706 -40.271 8.470 1.00 0.00 WATA H ATOM 10354 OH2 TIP3A2185 -35.298 -6.916 47.635 1.00 0.00 WATA O ATOM 10355 H1 TIP3A2185 -36.034 -7.503 47.296 1.00 0.00 WATA H ATOM 10356 H2 TIP3A2185 -35.629 -6.379 48.410 1.00 0.00 WATA H ATOM 10357 OH2 TIP3A2186 0.259 -27.671 50.139 1.00 0.00 WATA O ATOM 10358 H1 TIP3A2186 -0.543 -27.354 50.645 1.00 0.00 WATA H ATOM 10359 H2 TIP3A2186 0.133 -28.627 49.878 1.00 0.00 WATA H ATOM 10360 OH2 TIP3A2187 -22.160 -3.648 51.541 1.00 0.00 WATA O ATOM 10361 H1 TIP3A2187 -22.146 -4.579 51.904 1.00 0.00 WATA H ATOM 10362 H2 TIP3A2187 -23.036 -3.478 51.091 1.00 0.00 WATA H ATOM 10363 OH2 TIP3A2188 -46.004 21.555 -1.896 1.00 0.00 WATA O ATOM 10364 H1 TIP3A2188 -45.113 21.373 -2.313 1.00 0.00 WATA H ATOM 10365 H2 TIP3A2188 -45.902 22.243 -1.178 1.00 0.00 WATA H ATOM 10366 OH2 TIP3A2189 16.264 34.575 51.342 1.00 0.00 WATA O ATOM 10367 H1 TIP3A2189 16.001 33.843 50.713 1.00 0.00 WATA H ATOM 10368 H2 TIP3A2189 15.445 34.956 51.771 1.00 0.00 WATA H ATOM 10369 OH2 TIP3A2190 -50.287 20.947 -10.585 1.00 0.00 WATA O ATOM 10370 H1 TIP3A2190 -49.982 21.899 -10.584 1.00 0.00 WATA H ATOM 10371 H2 TIP3A2190 -51.286 20.917 -10.585 1.00 0.00 WATA H ATOM 10372 OH2 TIP3A2191 -20.616 35.665 12.442 1.00 0.00 WATA O ATOM 10373 H1 TIP3A2191 -20.623 36.497 12.997 1.00 0.00 WATA H ATOM 10374 H2 TIP3A2191 -21.360 35.064 12.732 1.00 0.00 WATA H ATOM 10375 OH2 TIP3A2192 -13.744 -48.165 20.022 1.00 0.00 WATA O ATOM 10376 H1 TIP3A2192 -13.308 -49.057 20.141 1.00 0.00 WATA H ATOM 10377 H2 TIP3A2192 -13.041 -47.464 19.902 1.00 0.00 WATA H ATOM 10378 OH2 TIP3A2193 32.541 -48.948 -7.019 1.00 0.00 WATA O ATOM 10379 H1 TIP3A2193 32.193 -49.670 -7.617 1.00 0.00 WATA H ATOM 10380 H2 TIP3A2193 32.103 -48.081 -7.253 1.00 0.00 WATA H ATOM 10381 OH2 TIP3A2194 40.302 7.402 48.014 1.00 0.00 WATA O ATOM 10382 H1 TIP3A2194 39.410 7.771 48.277 1.00 0.00 WATA H ATOM 10383 H2 TIP3A2194 40.426 6.501 48.428 1.00 0.00 WATA H ATOM 10384 OH2 TIP3A2195 19.570 13.621 -30.420 1.00 0.00 WATA O ATOM 10385 H1 TIP3A2195 18.597 13.397 -30.356 1.00 0.00 WATA H ATOM 10386 H2 TIP3A2195 19.679 14.608 -30.530 1.00 0.00 WATA H ATOM 10387 OH2 TIP3A2196 -5.132 -43.483 -30.614 1.00 0.00 WATA O ATOM 10388 H1 TIP3A2196 -4.339 -42.965 -30.935 1.00 0.00 WATA H ATOM 10389 H2 TIP3A2196 -4.829 -44.360 -30.243 1.00 0.00 WATA H ATOM 10390 OH2 TIP3A2197 -19.693 -14.512 -51.242 1.00 0.00 WATA O ATOM 10391 H1 TIP3A2197 -20.626 -14.753 -51.511 1.00 0.00 WATA H ATOM 10392 H2 TIP3A2197 -19.094 -14.555 -52.041 1.00 0.00 WATA H ATOM 10393 OH2 TIP3A2198 -39.304 21.134 -42.374 1.00 0.00 WATA O ATOM 10394 H1 TIP3A2198 -38.393 21.267 -42.765 1.00 0.00 WATA H ATOM 10395 H2 TIP3A2198 -39.283 21.352 -41.398 1.00 0.00 WATA H ATOM 10396 OH2 TIP3A2199 12.063 36.772 -27.503 1.00 0.00 WATA O ATOM 10397 H1 TIP3A2199 11.755 37.713 -27.642 1.00 0.00 WATA H ATOM 10398 H2 TIP3A2199 13.062 36.744 -27.508 1.00 0.00 WATA H ATOM 10399 OH2 TIP3A2200 17.394 -31.985 5.385 1.00 0.00 WATA O ATOM 10400 H1 TIP3A2200 17.274 -32.969 5.515 1.00 0.00 WATA H ATOM 10401 H2 TIP3A2200 18.062 -31.641 6.044 1.00 0.00 WATA H ATOM 10402 OH2 TIP3A2201 -12.355 -25.831 8.252 1.00 0.00 WATA O ATOM 10403 H1 TIP3A2201 -13.323 -25.591 8.184 1.00 0.00 WATA H ATOM 10404 H2 TIP3A2201 -12.174 -26.237 9.147 1.00 0.00 WATA H ATOM 10405 OH2 TIP3A2202 41.985 -13.036 -46.680 1.00 0.00 WATA O ATOM 10406 H1 TIP3A2202 41.177 -13.440 -46.250 1.00 0.00 WATA H ATOM 10407 H2 TIP3A2202 41.720 -12.211 -47.178 1.00 0.00 WATA H ATOM 10408 OH2 TIP3A2203 -51.102 33.926 -16.240 1.00 0.00 WATA O ATOM 10409 H1 TIP3A2203 -50.712 33.095 -15.843 1.00 0.00 WATA H ATOM 10410 H2 TIP3A2203 -51.946 33.700 -16.725 1.00 0.00 WATA H ATOM 10411 OH2 TIP3A2204 -21.480 -27.517 -20.746 1.00 0.00 WATA O ATOM 10412 H1 TIP3A2204 -21.517 -26.665 -20.223 1.00 0.00 WATA H ATOM 10413 H2 TIP3A2204 -22.295 -27.592 -21.319 1.00 0.00 WATA H ATOM 10414 OH2 TIP3A2205 23.699 21.871 -9.775 1.00 0.00 WATA O ATOM 10415 H1 TIP3A2205 24.695 21.917 -9.691 1.00 0.00 WATA H ATOM 10416 H2 TIP3A2205 23.403 20.918 -9.723 1.00 0.00 WATA H ATOM 10417 OH2 TIP3A2206 -24.765 27.152 11.376 1.00 0.00 WATA O ATOM 10418 H1 TIP3A2206 -24.424 28.054 11.110 1.00 0.00 WATA H ATOM 10419 H2 TIP3A2206 -25.764 27.149 11.342 1.00 0.00 WATA H ATOM 10420 OH2 TIP3A2207 -45.719 33.490 -10.731 1.00 0.00 WATA O ATOM 10421 H1 TIP3A2207 -45.584 32.616 -10.263 1.00 0.00 WATA H ATOM 10422 H2 TIP3A2207 -46.655 33.540 -11.078 1.00 0.00 WATA H ATOM 10423 OH2 TIP3A2208 -39.966 28.090 -2.263 1.00 0.00 WATA O ATOM 10424 H1 TIP3A2208 -40.857 27.730 -2.541 1.00 0.00 WATA H ATOM 10425 H2 TIP3A2208 -39.308 27.341 -2.199 1.00 0.00 WATA H ATOM 10426 OH2 TIP3A2209 5.120 37.063 46.674 1.00 0.00 WATA O ATOM 10427 H1 TIP3A2209 5.890 37.667 46.470 1.00 0.00 WATA H ATOM 10428 H2 TIP3A2209 5.311 36.550 47.511 1.00 0.00 WATA H ATOM 10429 OH2 TIP3A2210 -15.274 44.098 11.489 1.00 0.00 WATA O ATOM 10430 H1 TIP3A2210 -14.932 43.158 11.507 1.00 0.00 WATA H ATOM 10431 H2 TIP3A2210 -15.834 44.264 12.300 1.00 0.00 WATA H ATOM 10432 OH2 TIP3A2211 29.164 34.797 1.701 1.00 0.00 WATA O ATOM 10433 H1 TIP3A2211 29.411 35.767 1.708 1.00 0.00 WATA H ATOM 10434 H2 TIP3A2211 28.331 34.662 2.236 1.00 0.00 WATA H ATOM 10435 OH2 TIP3A2212 -18.655 38.715 -18.475 1.00 0.00 WATA O ATOM 10436 H1 TIP3A2212 -19.548 38.419 -18.814 1.00 0.00 WATA H ATOM 10437 H2 TIP3A2212 -18.640 38.654 -17.477 1.00 0.00 WATA H ATOM 10438 OH2 TIP3A2213 -26.666 -13.711 10.399 1.00 0.00 WATA O ATOM 10439 H1 TIP3A2213 -27.123 -12.821 10.380 1.00 0.00 WATA H ATOM 10440 H2 TIP3A2213 -27.048 -14.297 9.685 1.00 0.00 WATA H ATOM 10441 OH2 TIP3A2214 -27.769 7.854 17.688 1.00 0.00 WATA O ATOM 10442 H1 TIP3A2214 -27.691 8.850 17.640 1.00 0.00 WATA H ATOM 10443 H2 TIP3A2214 -27.596 7.461 16.786 1.00 0.00 WATA H ATOM 10444 OH2 TIP3A2215 48.120 6.849 8.953 1.00 0.00 WATA O ATOM 10445 H1 TIP3A2215 49.008 6.934 8.501 1.00 0.00 WATA H ATOM 10446 H2 TIP3A2215 47.394 6.838 8.265 1.00 0.00 WATA H ATOM 10447 OH2 TIP3A2216 -50.770 14.864 -41.564 1.00 0.00 WATA O ATOM 10448 H1 TIP3A2216 -51.064 15.469 -40.823 1.00 0.00 WATA H ATOM 10449 H2 TIP3A2216 -49.912 15.203 -41.950 1.00 0.00 WATA H ATOM 10450 OH2 TIP3A2217 -35.097 -21.804 24.561 1.00 0.00 WATA O ATOM 10451 H1 TIP3A2217 -34.515 -22.287 23.907 1.00 0.00 WATA H ATOM 10452 H2 TIP3A2217 -34.573 -21.075 25.000 1.00 0.00 WATA H ATOM 10453 OH2 TIP3A2218 -39.064 -16.107 43.787 1.00 0.00 WATA O ATOM 10454 H1 TIP3A2218 -39.104 -15.149 43.503 1.00 0.00 WATA H ATOM 10455 H2 TIP3A2218 -38.542 -16.632 43.115 1.00 0.00 WATA H ATOM 10456 OH2 TIP3A2219 43.574 -15.789 30.679 1.00 0.00 WATA O ATOM 10457 H1 TIP3A2219 44.302 -16.461 30.818 1.00 0.00 WATA H ATOM 10458 H2 TIP3A2219 43.744 -14.990 31.255 1.00 0.00 WATA H ATOM 10459 OH2 TIP3A2220 4.766 -31.562 53.018 1.00 0.00 WATA O ATOM 10460 H1 TIP3A2220 4.648 -30.813 52.365 1.00 0.00 WATA H ATOM 10461 H2 TIP3A2220 4.563 -32.431 52.569 1.00 0.00 WATA H ATOM 10462 OH2 TIP3A2221 16.458 -26.730 42.159 1.00 0.00 WATA O ATOM 10463 H1 TIP3A2221 17.237 -27.357 42.177 1.00 0.00 WATA H ATOM 10464 H2 TIP3A2221 16.776 -25.808 41.941 1.00 0.00 WATA H ATOM 10465 OH2 TIP3A2222 49.235 -52.335 -50.692 1.00 0.00 WATA O ATOM 10466 H1 TIP3A2222 49.107 -51.546 -51.294 1.00 0.00 WATA H ATOM 10467 H2 TIP3A2222 50.107 -52.250 -50.211 1.00 0.00 WATA H ATOM 10468 OH2 TIP3A2223 3.105 45.043 11.423 1.00 0.00 WATA O ATOM 10469 H1 TIP3A2223 2.502 44.290 11.687 1.00 0.00 WATA H ATOM 10470 H2 TIP3A2223 3.266 45.635 12.212 1.00 0.00 WATA H ATOM 10471 OH2 TIP3A2224 33.676 -25.239 1.174 1.00 0.00 WATA O ATOM 10472 H1 TIP3A2224 34.370 -24.614 1.531 1.00 0.00 WATA H ATOM 10473 H2 TIP3A2224 33.066 -24.742 0.557 1.00 0.00 WATA H ATOM 10474 OH2 TIP3A2225 -39.466 9.092 -45.252 1.00 0.00 WATA O ATOM 10475 H1 TIP3A2225 -40.374 9.246 -44.861 1.00 0.00 WATA H ATOM 10476 H2 TIP3A2225 -39.075 9.965 -45.541 1.00 0.00 WATA H ATOM 10477 OH2 TIP3A2226 -45.635 39.595 -16.633 1.00 0.00 WATA O ATOM 10478 H1 TIP3A2226 -46.297 39.027 -17.121 1.00 0.00 WATA H ATOM 10479 H2 TIP3A2226 -46.010 40.513 -16.509 1.00 0.00 WATA H ATOM 10480 OH2 TIP3A2227 -17.135 -25.122 34.993 1.00 0.00 WATA O ATOM 10481 H1 TIP3A2227 -16.946 -25.850 35.652 1.00 0.00 WATA H ATOM 10482 H2 TIP3A2227 -18.049 -25.249 34.608 1.00 0.00 WATA H ATOM 10483 OH2 TIP3A2228 -43.553 30.869 -5.338 1.00 0.00 WATA O ATOM 10484 H1 TIP3A2228 -43.678 31.848 -5.175 1.00 0.00 WATA H ATOM 10485 H2 TIP3A2228 -42.577 30.666 -5.411 1.00 0.00 WATA H ATOM 10486 OH2 TIP3A2229 43.696 10.040 49.996 1.00 0.00 WATA O ATOM 10487 H1 TIP3A2229 44.311 10.304 50.738 1.00 0.00 WATA H ATOM 10488 H2 TIP3A2229 44.219 9.928 49.152 1.00 0.00 WATA H ATOM 10489 OH2 TIP3A2230 -50.322 -31.589 -30.243 1.00 0.00 WATA O ATOM 10490 H1 TIP3A2230 -51.049 -30.909 -30.342 1.00 0.00 WATA H ATOM 10491 H2 TIP3A2230 -50.720 -32.506 -30.257 1.00 0.00 WATA H ATOM 10492 OH2 TIP3A2231 32.252 23.232 -25.664 1.00 0.00 WATA O ATOM 10493 H1 TIP3A2231 32.586 24.173 -25.603 1.00 0.00 WATA H ATOM 10494 H2 TIP3A2231 31.327 23.181 -25.288 1.00 0.00 WATA H ATOM 10495 OH2 TIP3A2232 7.256 21.642 -29.324 1.00 0.00 WATA O ATOM 10496 H1 TIP3A2232 7.211 21.466 -30.308 1.00 0.00 WATA H ATOM 10497 H2 TIP3A2232 7.204 20.777 -28.827 1.00 0.00 WATA H ATOM 10498 OH2 TIP3A2233 45.355 -49.585 12.927 1.00 0.00 WATA O ATOM 10499 H1 TIP3A2233 44.962 -49.724 13.837 1.00 0.00 WATA H ATOM 10500 H2 TIP3A2233 46.013 -48.834 12.959 1.00 0.00 WATA H ATOM 10501 OH2 TIP3A2234 -4.041 -32.844 33.176 1.00 0.00 WATA O ATOM 10502 H1 TIP3A2234 -3.947 -33.323 34.050 1.00 0.00 WATA H ATOM 10503 H2 TIP3A2234 -4.874 -33.151 32.716 1.00 0.00 WATA H ATOM 10504 OH2 TIP3A2235 -36.966 -25.950 -26.127 1.00 0.00 WATA O ATOM 10505 H1 TIP3A2235 -36.447 -25.097 -26.196 1.00 0.00 WATA H ATOM 10506 H2 TIP3A2235 -36.341 -26.705 -25.929 1.00 0.00 WATA H ATOM 10507 OH2 TIP3A2236 25.335 -29.667 -15.765 1.00 0.00 WATA O ATOM 10508 H1 TIP3A2236 24.502 -29.702 -16.318 1.00 0.00 WATA H ATOM 10509 H2 TIP3A2236 25.415 -28.766 -15.339 1.00 0.00 WATA H ATOM 10510 OH2 TIP3A2237 44.550 16.959 29.077 1.00 0.00 WATA O ATOM 10511 H1 TIP3A2237 43.817 17.601 28.849 1.00 0.00 WATA H ATOM 10512 H2 TIP3A2237 45.396 17.464 29.241 1.00 0.00 WATA H ATOM 10513 OH2 TIP3A2238 -29.410 50.459 -19.840 1.00 0.00 WATA O ATOM 10514 H1 TIP3A2238 -28.738 49.719 -19.827 1.00 0.00 WATA H ATOM 10515 H2 TIP3A2238 -28.942 51.337 -19.746 1.00 0.00 WATA H ATOM 10516 OH2 TIP3A2239 -33.625 -39.387 6.006 1.00 0.00 WATA O ATOM 10517 H1 TIP3A2239 -33.353 -39.092 6.922 1.00 0.00 WATA H ATOM 10518 H2 TIP3A2239 -33.847 -40.361 6.021 1.00 0.00 WATA H ATOM 10519 OH2 TIP3A2240 -42.052 50.340 44.693 1.00 0.00 WATA O ATOM 10520 H1 TIP3A2240 -41.075 50.528 44.795 1.00 0.00 WATA H ATOM 10521 H2 TIP3A2240 -42.182 49.383 44.434 1.00 0.00 WATA H ATOM 10522 OH2 TIP3A2241 15.976 -37.642 34.863 1.00 0.00 WATA O ATOM 10523 H1 TIP3A2241 15.457 -38.478 34.683 1.00 0.00 WATA H ATOM 10524 H2 TIP3A2241 16.941 -37.870 34.993 1.00 0.00 WATA H ATOM 10525 OH2 TIP3A2242 -14.393 39.405 -33.699 1.00 0.00 WATA O ATOM 10526 H1 TIP3A2242 -13.648 40.062 -33.816 1.00 0.00 WATA H ATOM 10527 H2 TIP3A2242 -14.092 38.502 -34.006 1.00 0.00 WATA H ATOM 10528 OH2 TIP3A2243 27.986 -35.457 42.122 1.00 0.00 WATA O ATOM 10529 H1 TIP3A2243 27.103 -35.766 41.767 1.00 0.00 WATA H ATOM 10530 H2 TIP3A2243 28.655 -36.195 42.038 1.00 0.00 WATA H ATOM 10531 OH2 TIP3A2244 -44.591 0.925 -30.983 1.00 0.00 WATA O ATOM 10532 H1 TIP3A2244 -45.503 0.516 -31.005 1.00 0.00 WATA H ATOM 10533 H2 TIP3A2244 -43.901 0.202 -30.981 1.00 0.00 WATA H ATOM 10534 OH2 TIP3A2245 -44.223 41.770 -0.272 1.00 0.00 WATA O ATOM 10535 H1 TIP3A2245 -44.064 42.699 -0.608 1.00 0.00 WATA H ATOM 10536 H2 TIP3A2245 -43.350 41.348 -0.031 1.00 0.00 WATA H ATOM 10537 OH2 TIP3A2246 -13.942 -26.402 2.143 1.00 0.00 WATA O ATOM 10538 H1 TIP3A2246 -14.580 -26.843 1.511 1.00 0.00 WATA H ATOM 10539 H2 TIP3A2246 -13.711 -25.492 1.803 1.00 0.00 WATA H ATOM 10540 OH2 TIP3A2247 21.205 -52.766 -2.293 1.00 0.00 WATA O ATOM 10541 H1 TIP3A2247 21.976 -53.345 -2.560 1.00 0.00 WATA H ATOM 10542 H2 TIP3A2247 20.390 -53.331 -2.173 1.00 0.00 WATA H ATOM 10543 OH2 TIP3A2248 -16.265 27.077 19.065 1.00 0.00 WATA O ATOM 10544 H1 TIP3A2248 -15.327 27.406 19.172 1.00 0.00 WATA H ATOM 10545 H2 TIP3A2248 -16.253 26.119 18.781 1.00 0.00 WATA H ATOM 10546 OH2 TIP3A2249 43.693 -22.986 -22.398 1.00 0.00 WATA O ATOM 10547 H1 TIP3A2249 43.119 -22.178 -22.267 1.00 0.00 WATA H ATOM 10548 H2 TIP3A2249 43.340 -23.739 -21.843 1.00 0.00 WATA H ATOM 10549 OH2 TIP3A2250 -18.340 -10.436 -14.825 1.00 0.00 WATA O ATOM 10550 H1 TIP3A2250 -18.018 -9.529 -14.552 1.00 0.00 WATA H ATOM 10551 H2 TIP3A2250 -17.556 -11.034 -14.986 1.00 0.00 WATA H ATOM 10552 OH2 TIP3A2251 39.762 50.641 -2.335 1.00 0.00 WATA O ATOM 10553 H1 TIP3A2251 39.260 50.858 -3.173 1.00 0.00 WATA H ATOM 10554 H2 TIP3A2251 40.532 50.044 -2.553 1.00 0.00 WATA H ATOM 10555 OH2 TIP3A2252 -19.442 -19.705 46.804 1.00 0.00 WATA O ATOM 10556 H1 TIP3A2252 -20.401 -19.933 46.977 1.00 0.00 WATA H ATOM 10557 H2 TIP3A2252 -19.378 -18.769 46.461 1.00 0.00 WATA H ATOM 10558 OH2 TIP3A2253 51.647 -30.855 -45.007 1.00 0.00 WATA O ATOM 10559 H1 TIP3A2253 50.861 -30.241 -45.079 1.00 0.00 WATA H ATOM 10560 H2 TIP3A2253 52.286 -30.500 -44.325 1.00 0.00 WATA H ATOM 10561 OH2 TIP3A2254 -32.137 42.289 51.521 1.00 0.00 WATA O ATOM 10562 H1 TIP3A2254 -32.404 43.246 51.408 1.00 0.00 WATA H ATOM 10563 H2 TIP3A2254 -31.387 42.227 52.179 1.00 0.00 WATA H ATOM 10564 OH2 TIP3A2255 -38.260 3.031 -0.317 1.00 0.00 WATA O ATOM 10565 H1 TIP3A2255 -38.952 2.787 -0.997 1.00 0.00 WATA H ATOM 10566 H2 TIP3A2255 -37.389 2.604 -0.558 1.00 0.00 WATA H ATOM 10567 OH2 TIP3A2256 4.064 -21.217 52.894 1.00 0.00 WATA O ATOM 10568 H1 TIP3A2256 4.200 -21.912 52.187 1.00 0.00 WATA H ATOM 10569 H2 TIP3A2256 3.122 -20.886 52.860 1.00 0.00 WATA H ATOM 10570 OH2 TIP3A2257 -37.756 44.594 -25.053 1.00 0.00 WATA O ATOM 10571 H1 TIP3A2257 -38.616 44.306 -24.632 1.00 0.00 WATA H ATOM 10572 H2 TIP3A2257 -37.949 45.144 -25.865 1.00 0.00 WATA H ATOM 10573 OH2 TIP3A2258 -39.774 24.737 -21.207 1.00 0.00 WATA O ATOM 10574 H1 TIP3A2258 -39.296 24.189 -20.520 1.00 0.00 WATA H ATOM 10575 H2 TIP3A2258 -39.157 25.440 -21.560 1.00 0.00 WATA H ATOM 10576 OH2 TIP3A2259 20.297 48.723 -37.407 1.00 0.00 WATA O ATOM 10577 H1 TIP3A2259 20.674 49.649 -37.384 1.00 0.00 WATA H ATOM 10578 H2 TIP3A2259 19.348 48.742 -37.092 1.00 0.00 WATA H ATOM 10579 OH2 TIP3A2260 53.086 10.352 26.942 1.00 0.00 WATA O ATOM 10580 H1 TIP3A2260 53.345 9.966 27.828 1.00 0.00 WATA H ATOM 10581 H2 TIP3A2260 52.723 11.274 27.073 1.00 0.00 WATA H ATOM 10582 OH2 TIP3A2261 38.321 -3.669 24.536 1.00 0.00 WATA O ATOM 10583 H1 TIP3A2261 37.629 -4.102 25.114 1.00 0.00 WATA H ATOM 10584 H2 TIP3A2261 39.232 -3.879 24.890 1.00 0.00 WATA H ATOM 10585 OH2 TIP3A2262 5.156 -17.227 48.668 1.00 0.00 WATA O ATOM 10586 H1 TIP3A2262 5.968 -16.769 49.032 1.00 0.00 WATA H ATOM 10587 H2 TIP3A2262 5.256 -17.348 47.681 1.00 0.00 WATA H ATOM 10588 OH2 TIP3A2263 48.011 -1.930 -40.222 1.00 0.00 WATA O ATOM 10589 H1 TIP3A2263 48.134 -1.299 -39.456 1.00 0.00 WATA H ATOM 10590 H2 TIP3A2263 47.108 -2.353 -40.165 1.00 0.00 WATA H ATOM 10591 OH2 TIP3A2264 -3.946 52.268 23.823 1.00 0.00 WATA O ATOM 10592 H1 TIP3A2264 -2.987 51.983 23.843 1.00 0.00 WATA H ATOM 10593 H2 TIP3A2264 -4.040 53.152 24.278 1.00 0.00 WATA H ATOM 10594 OH2 TIP3A2265 -2.110 -15.155 -43.618 1.00 0.00 WATA O ATOM 10595 H1 TIP3A2265 -2.078 -15.776 -42.835 1.00 0.00 WATA H ATOM 10596 H2 TIP3A2265 -2.864 -14.510 -43.502 1.00 0.00 WATA H ATOM 10597 OH2 TIP3A2266 -36.861 -11.988 46.917 1.00 0.00 WATA O ATOM 10598 H1 TIP3A2266 -37.780 -12.250 46.623 1.00 0.00 WATA H ATOM 10599 H2 TIP3A2266 -36.923 -11.422 47.739 1.00 0.00 WATA H ATOM 10600 OH2 TIP3A2267 -27.434 -24.804 13.604 1.00 0.00 WATA O ATOM 10601 H1 TIP3A2267 -27.577 -25.588 12.999 1.00 0.00 WATA H ATOM 10602 H2 TIP3A2267 -26.928 -25.096 14.414 1.00 0.00 WATA H ATOM 10603 OH2 TIP3A2268 2.987 -52.233 24.512 1.00 0.00 WATA O ATOM 10604 H1 TIP3A2268 3.584 -51.535 24.907 1.00 0.00 WATA H ATOM 10605 H2 TIP3A2268 3.123 -53.099 24.994 1.00 0.00 WATA H ATOM 10606 OH2 TIP3A2269 41.940 2.507 14.364 1.00 0.00 WATA O ATOM 10607 H1 TIP3A2269 42.599 3.231 14.570 1.00 0.00 WATA H ATOM 10608 H2 TIP3A2269 41.013 2.843 14.531 1.00 0.00 WATA H ATOM 10609 OH2 TIP3A2270 30.818 19.124 36.896 1.00 0.00 WATA O ATOM 10610 H1 TIP3A2270 31.597 19.102 37.522 1.00 0.00 WATA H ATOM 10611 H2 TIP3A2270 30.633 18.201 36.559 1.00 0.00 WATA H ATOM 10612 OH2 TIP3A2271 48.485 -35.448 -16.942 1.00 0.00 WATA O ATOM 10613 H1 TIP3A2271 48.742 -34.613 -17.429 1.00 0.00 WATA H ATOM 10614 H2 TIP3A2271 48.967 -36.228 -17.339 1.00 0.00 WATA H ATOM 10615 OH2 TIP3A2272 49.734 50.724 40.986 1.00 0.00 WATA O ATOM 10616 H1 TIP3A2272 50.575 50.327 41.355 1.00 0.00 WATA H ATOM 10617 H2 TIP3A2272 49.879 50.985 40.032 1.00 0.00 WATA H ATOM 10618 OH2 TIP3A2273 -48.988 -18.340 -39.197 1.00 0.00 WATA O ATOM 10619 H1 TIP3A2273 -49.795 -17.750 -39.189 1.00 0.00 WATA H ATOM 10620 H2 TIP3A2273 -49.271 -19.292 -39.302 1.00 0.00 WATA H ATOM 10621 OH2 TIP3A2274 14.174 11.641 31.068 1.00 0.00 WATA O ATOM 10622 H1 TIP3A2274 13.550 12.328 31.440 1.00 0.00 WATA H ATOM 10623 H2 TIP3A2274 14.551 11.094 31.815 1.00 0.00 WATA H ATOM 10624 OH2 TIP3A2275 -34.932 -29.398 -26.680 1.00 0.00 WATA O ATOM 10625 H1 TIP3A2275 -35.380 -28.580 -27.042 1.00 0.00 WATA H ATOM 10626 H2 TIP3A2275 -34.395 -29.832 -27.403 1.00 0.00 WATA H ATOM 10627 OH2 TIP3A2276 -10.303 40.425 -21.552 1.00 0.00 WATA O ATOM 10628 H1 TIP3A2276 -9.742 40.728 -20.781 1.00 0.00 WATA H ATOM 10629 H2 TIP3A2276 -11.223 40.805 -21.466 1.00 0.00 WATA H ATOM 10630 OH2 TIP3A2277 -42.954 -18.486 -11.357 1.00 0.00 WATA O ATOM 10631 H1 TIP3A2277 -42.932 -17.795 -12.079 1.00 0.00 WATA H ATOM 10632 H2 TIP3A2277 -43.894 -18.799 -11.222 1.00 0.00 WATA H ATOM 10633 OH2 TIP3A2278 51.874 5.928 46.961 1.00 0.00 WATA O ATOM 10634 H1 TIP3A2278 52.865 5.797 46.981 1.00 0.00 WATA H ATOM 10635 H2 TIP3A2278 51.667 6.906 46.932 1.00 0.00 WATA H ATOM 10636 OH2 TIP3A2279 17.493 -38.530 14.143 1.00 0.00 WATA O ATOM 10637 H1 TIP3A2279 18.289 -39.136 14.118 1.00 0.00 WATA H ATOM 10638 H2 TIP3A2279 17.798 -37.579 14.144 1.00 0.00 WATA H ATOM 10639 OH2 TIP3A2280 18.670 48.298 -51.746 1.00 0.00 WATA O ATOM 10640 H1 TIP3A2280 19.603 48.071 -52.027 1.00 0.00 WATA H ATOM 10641 H2 TIP3A2280 18.125 47.462 -51.697 1.00 0.00 WATA H ATOM 10642 OH2 TIP3A2281 -32.248 -12.762 -10.557 1.00 0.00 WATA O ATOM 10643 H1 TIP3A2281 -32.289 -11.763 -10.509 1.00 0.00 WATA H ATOM 10644 H2 TIP3A2281 -32.558 -13.150 -9.689 1.00 0.00 WATA H ATOM 10645 OH2 TIP3A2282 -32.017 -44.821 -44.609 1.00 0.00 WATA O ATOM 10646 H1 TIP3A2282 -32.718 -44.528 -45.259 1.00 0.00 WATA H ATOM 10647 H2 TIP3A2282 -31.130 -44.454 -44.886 1.00 0.00 WATA H ATOM 10648 OH2 TIP3A2283 22.176 -12.611 30.095 1.00 0.00 WATA O ATOM 10649 H1 TIP3A2283 23.079 -13.027 29.988 1.00 0.00 WATA H ATOM 10650 H2 TIP3A2283 21.480 -13.221 29.718 1.00 0.00 WATA H ATOM 10651 OH2 TIP3A2284 -0.256 -31.862 -46.378 1.00 0.00 WATA O ATOM 10652 H1 TIP3A2284 -0.542 -32.665 -46.901 1.00 0.00 WATA H ATOM 10653 H2 TIP3A2284 0.649 -32.024 -45.986 1.00 0.00 WATA H ATOM 10654 OH2 TIP3A2285 -25.039 19.236 40.345 1.00 0.00 WATA O ATOM 10655 H1 TIP3A2285 -25.835 19.799 40.121 1.00 0.00 WATA H ATOM 10656 H2 TIP3A2285 -25.144 18.330 39.938 1.00 0.00 WATA H ATOM 10657 OH2 TIP3A2286 48.264 30.663 10.384 1.00 0.00 WATA O ATOM 10658 H1 TIP3A2286 47.493 30.199 9.948 1.00 0.00 WATA H ATOM 10659 H2 TIP3A2286 49.099 30.482 9.865 1.00 0.00 WATA H ATOM 10660 OH2 TIP3A2287 38.089 29.824 21.225 1.00 0.00 WATA O ATOM 10661 H1 TIP3A2287 38.445 30.738 21.031 1.00 0.00 WATA H ATOM 10662 H2 TIP3A2287 37.478 29.540 20.487 1.00 0.00 WATA H ATOM 10663 OH2 TIP3A2288 -29.518 43.209 -27.570 1.00 0.00 WATA O ATOM 10664 H1 TIP3A2288 -28.564 43.014 -27.343 1.00 0.00 WATA H ATOM 10665 H2 TIP3A2288 -29.587 44.124 -27.966 1.00 0.00 WATA H ATOM 10666 OH2 TIP3A2289 19.389 21.267 18.558 1.00 0.00 WATA O ATOM 10667 H1 TIP3A2289 18.992 20.950 19.420 1.00 0.00 WATA H ATOM 10668 H2 TIP3A2289 18.674 21.322 17.862 1.00 0.00 WATA H ATOM 10669 OH2 TIP3A2290 17.992 20.812 -45.753 1.00 0.00 WATA O ATOM 10670 H1 TIP3A2290 17.055 20.758 -45.407 1.00 0.00 WATA H ATOM 10671 H2 TIP3A2290 18.091 20.208 -46.544 1.00 0.00 WATA H ATOM 10672 OH2 TIP3A2291 -31.657 -14.244 -22.825 1.00 0.00 WATA O ATOM 10673 H1 TIP3A2291 -32.225 -15.067 -22.846 1.00 0.00 WATA H ATOM 10674 H2 TIP3A2291 -31.114 -14.234 -21.986 1.00 0.00 WATA H ATOM 10675 OH2 TIP3A2292 -6.064 -34.108 47.428 1.00 0.00 WATA O ATOM 10676 H1 TIP3A2292 -6.158 -33.308 46.836 1.00 0.00 WATA H ATOM 10677 H2 TIP3A2292 -6.737 -34.058 48.165 1.00 0.00 WATA H ATOM 10678 OH2 TIP3A2293 28.381 -3.370 -44.179 1.00 0.00 WATA O ATOM 10679 H1 TIP3A2293 27.564 -3.938 -44.079 1.00 0.00 WATA H ATOM 10680 H2 TIP3A2293 28.113 -2.411 -44.264 1.00 0.00 WATA H ATOM 10681 OH2 TIP3A2294 11.665 -29.897 24.809 1.00 0.00 WATA O ATOM 10682 H1 TIP3A2294 12.546 -29.709 24.374 1.00 0.00 WATA H ATOM 10683 H2 TIP3A2294 11.013 -29.180 24.566 1.00 0.00 WATA H ATOM 10684 OH2 TIP3A2295 -5.298 -17.789 41.907 1.00 0.00 WATA O ATOM 10685 H1 TIP3A2295 -5.610 -17.927 42.848 1.00 0.00 WATA H ATOM 10686 H2 TIP3A2295 -6.086 -17.791 41.292 1.00 0.00 WATA H ATOM 10687 OH2 TIP3A2296 -28.485 -29.493 -10.971 1.00 0.00 WATA O ATOM 10688 H1 TIP3A2296 -27.513 -29.662 -11.138 1.00 0.00 WATA H ATOM 10689 H2 TIP3A2296 -28.994 -30.348 -11.068 1.00 0.00 WATA H ATOM 10690 OH2 TIP3A2297 -33.747 -20.605 28.751 1.00 0.00 WATA O ATOM 10691 H1 TIP3A2297 -32.754 -20.603 28.635 1.00 0.00 WATA H ATOM 10692 H2 TIP3A2297 -34.043 -19.724 29.119 1.00 0.00 WATA H ATOM 10693 OH2 TIP3A2298 27.166 -4.866 -51.601 1.00 0.00 WATA O ATOM 10694 H1 TIP3A2298 28.089 -5.239 -51.694 1.00 0.00 WATA H ATOM 10695 H2 TIP3A2298 26.547 -5.351 -52.218 1.00 0.00 WATA H ATOM 10696 OH2 TIP3A2299 -40.541 38.386 15.294 1.00 0.00 WATA O ATOM 10697 H1 TIP3A2299 -41.371 38.598 15.810 1.00 0.00 WATA H ATOM 10698 H2 TIP3A2299 -39.884 39.133 15.398 1.00 0.00 WATA H ATOM 10699 OH2 TIP3A2300 -31.652 -47.126 23.845 1.00 0.00 WATA O ATOM 10700 H1 TIP3A2300 -30.675 -47.337 23.893 1.00 0.00 WATA H ATOM 10701 H2 TIP3A2300 -32.173 -47.976 23.773 1.00 0.00 WATA H ATOM 10702 OH2 TIP3A2301 -7.607 48.005 -44.698 1.00 0.00 WATA O ATOM 10703 H1 TIP3A2301 -7.710 47.081 -44.329 1.00 0.00 WATA H ATOM 10704 H2 TIP3A2301 -6.644 48.177 -44.903 1.00 0.00 WATA H ATOM 10705 OH2 TIP3A2302 -12.774 50.489 -28.321 1.00 0.00 WATA O ATOM 10706 H1 TIP3A2302 -12.723 50.373 -29.314 1.00 0.00 WATA H ATOM 10707 H2 TIP3A2302 -13.306 51.308 -28.109 1.00 0.00 WATA H ATOM 10708 OH2 TIP3A2303 20.351 3.747 47.954 1.00 0.00 WATA O ATOM 10709 H1 TIP3A2303 20.147 4.687 48.228 1.00 0.00 WATA H ATOM 10710 H2 TIP3A2303 19.855 3.111 48.544 1.00 0.00 WATA H ATOM 10711 OH2 TIP3A2304 14.430 -42.775 35.604 1.00 0.00 WATA O ATOM 10712 H1 TIP3A2304 14.557 -42.869 34.617 1.00 0.00 WATA H ATOM 10713 H2 TIP3A2304 15.095 -42.123 35.966 1.00 0.00 WATA H ATOM 10714 OH2 TIP3A2305 40.291 25.816 -5.268 1.00 0.00 WATA O ATOM 10715 H1 TIP3A2305 40.258 25.707 -6.261 1.00 0.00 WATA H ATOM 10716 H2 TIP3A2305 41.237 25.739 -4.955 1.00 0.00 WATA H ATOM 10717 OH2 TIP3A2306 27.726 -21.075 -5.205 1.00 0.00 WATA O ATOM 10718 H1 TIP3A2306 28.289 -20.248 -5.192 1.00 0.00 WATA H ATOM 10719 H2 TIP3A2306 28.318 -21.880 -5.191 1.00 0.00 WATA H ATOM 10720 OH2 TIP3A2307 17.854 -39.116 43.391 1.00 0.00 WATA O ATOM 10721 H1 TIP3A2307 17.266 -39.587 42.733 1.00 0.00 WATA H ATOM 10722 H2 TIP3A2307 17.453 -38.230 43.622 1.00 0.00 WATA H ATOM 10723 OH2 TIP3A2308 49.818 1.929 5.238 1.00 0.00 WATA O ATOM 10724 H1 TIP3A2308 49.755 2.804 5.719 1.00 0.00 WATA H ATOM 10725 H2 TIP3A2308 50.736 1.551 5.351 1.00 0.00 WATA H ATOM 10726 OH2 TIP3A2309 -21.275 -38.654 17.165 1.00 0.00 WATA O ATOM 10727 H1 TIP3A2309 -21.835 -38.923 17.949 1.00 0.00 WATA H ATOM 10728 H2 TIP3A2309 -21.144 -39.441 16.563 1.00 0.00 WATA H ATOM 10729 OH2 TIP3A2310 -22.822 -32.392 6.691 1.00 0.00 WATA O ATOM 10730 H1 TIP3A2310 -22.983 -31.431 6.464 1.00 0.00 WATA H ATOM 10731 H2 TIP3A2310 -21.987 -32.471 7.234 1.00 0.00 WATA H ATOM 10732 OH2 TIP3A2311 -50.919 -39.783 41.407 1.00 0.00 WATA O ATOM 10733 H1 TIP3A2311 -50.168 -39.148 41.223 1.00 0.00 WATA H ATOM 10734 H2 TIP3A2311 -50.665 -40.699 41.098 1.00 0.00 WATA H ATOM 10735 OH2 TIP3A2312 -12.773 -6.250 -39.444 1.00 0.00 WATA O ATOM 10736 H1 TIP3A2312 -12.920 -5.327 -39.089 1.00 0.00 WATA H ATOM 10737 H2 TIP3A2312 -12.163 -6.751 -38.830 1.00 0.00 WATA H ATOM 10738 OH2 TIP3A2313 -42.326 -3.769 31.414 1.00 0.00 WATA O ATOM 10739 H1 TIP3A2313 -42.411 -2.811 31.137 1.00 0.00 WATA H ATOM 10740 H2 TIP3A2313 -41.565 -3.864 32.055 1.00 0.00 WATA H ATOM 10741 OH2 TIP3A2314 -5.383 46.214 -25.915 1.00 0.00 WATA O ATOM 10742 H1 TIP3A2314 -5.568 46.865 -26.652 1.00 0.00 WATA H ATOM 10743 H2 TIP3A2314 -6.245 45.921 -25.504 1.00 0.00 WATA H ATOM 10744 OH2 TIP3A2315 -46.541 -45.979 52.957 1.00 0.00 WATA O ATOM 10745 H1 TIP3A2315 -45.690 -46.505 52.940 1.00 0.00 WATA H ATOM 10746 H2 TIP3A2315 -46.366 -45.074 53.345 1.00 0.00 WATA H ATOM 10747 OH2 TIP3A2316 37.336 -28.603 20.191 1.00 0.00 WATA O ATOM 10748 H1 TIP3A2316 36.510 -28.568 19.628 1.00 0.00 WATA H ATOM 10749 H2 TIP3A2316 37.098 -28.419 21.144 1.00 0.00 WATA H ATOM 10750 OH2 TIP3A2317 33.555 2.220 -25.514 1.00 0.00 WATA O ATOM 10751 H1 TIP3A2317 32.811 2.638 -24.993 1.00 0.00 WATA H ATOM 10752 H2 TIP3A2317 33.539 2.564 -26.453 1.00 0.00 WATA H ATOM 10753 OH2 TIP3A2318 -22.985 0.577 26.452 1.00 0.00 WATA O ATOM 10754 H1 TIP3A2318 -23.178 1.541 26.634 1.00 0.00 WATA H ATOM 10755 H2 TIP3A2318 -23.705 0.194 25.875 1.00 0.00 WATA H ATOM 10756 OH2 TIP3A2319 41.862 40.040 17.102 1.00 0.00 WATA O ATOM 10757 H1 TIP3A2319 41.532 40.865 17.561 1.00 0.00 WATA H ATOM 10758 H2 TIP3A2319 42.861 40.021 17.126 1.00 0.00 WATA H ATOM 10759 OH2 TIP3A2320 37.950 -20.101 -32.996 1.00 0.00 WATA O ATOM 10760 H1 TIP3A2320 36.977 -19.880 -32.926 1.00 0.00 WATA H ATOM 10761 H2 TIP3A2320 38.488 -19.260 -32.950 1.00 0.00 WATA H ATOM 10762 OH2 TIP3A2321 -36.162 36.637 5.856 1.00 0.00 WATA O ATOM 10763 H1 TIP3A2321 -35.400 36.332 6.427 1.00 0.00 WATA H ATOM 10764 H2 TIP3A2321 -36.284 37.623 5.961 1.00 0.00 WATA H ATOM 10765 OH2 TIP3A2322 19.555 -41.723 33.036 1.00 0.00 WATA O ATOM 10766 H1 TIP3A2322 19.384 -42.696 33.191 1.00 0.00 WATA H ATOM 10767 H2 TIP3A2322 19.051 -41.421 32.227 1.00 0.00 WATA H ATOM 10768 OH2 TIP3A2323 -49.863 29.783 -33.243 1.00 0.00 WATA O ATOM 10769 H1 TIP3A2323 -49.299 29.991 -34.043 1.00 0.00 WATA H ATOM 10770 H2 TIP3A2323 -50.564 29.116 -33.493 1.00 0.00 WATA H ATOM 10771 OH2 TIP3A2324 -18.445 -33.749 -12.639 1.00 0.00 WATA O ATOM 10772 H1 TIP3A2324 -18.466 -34.569 -12.066 1.00 0.00 WATA H ATOM 10773 H2 TIP3A2324 -19.340 -33.306 -12.621 1.00 0.00 WATA H ATOM 10774 OH2 TIP3A2325 13.487 -36.554 10.554 1.00 0.00 WATA O ATOM 10775 H1 TIP3A2325 13.022 -37.350 10.166 1.00 0.00 WATA H ATOM 10776 H2 TIP3A2325 13.373 -36.552 11.547 1.00 0.00 WATA H ATOM 10777 OH2 TIP3A2326 7.966 51.409 -28.689 1.00 0.00 WATA O ATOM 10778 H1 TIP3A2326 7.243 51.947 -28.257 1.00 0.00 WATA H ATOM 10779 H2 TIP3A2326 8.527 50.976 -27.985 1.00 0.00 WATA H ATOM 10780 OH2 TIP3A2327 40.682 11.775 -28.567 1.00 0.00 WATA O ATOM 10781 H1 TIP3A2327 41.367 12.371 -28.146 1.00 0.00 WATA H ATOM 10782 H2 TIP3A2327 40.979 10.824 -28.498 1.00 0.00 WATA H ATOM 10783 OH2 TIP3A2328 35.323 10.321 5.964 1.00 0.00 WATA O ATOM 10784 H1 TIP3A2328 34.908 11.205 5.751 1.00 0.00 WATA H ATOM 10785 H2 TIP3A2328 36.250 10.463 6.311 1.00 0.00 WATA H ATOM 10786 OH2 TIP3A2329 44.545 -12.460 49.518 1.00 0.00 WATA O ATOM 10787 H1 TIP3A2329 43.764 -13.054 49.713 1.00 0.00 WATA H ATOM 10788 H2 TIP3A2329 45.255 -12.985 49.050 1.00 0.00 WATA H ATOM 10789 OH2 TIP3A2330 21.463 -12.677 -42.237 1.00 0.00 WATA O ATOM 10790 H1 TIP3A2330 20.775 -12.529 -42.948 1.00 0.00 WATA H ATOM 10791 H2 TIP3A2330 21.606 -13.658 -42.111 1.00 0.00 WATA H ATOM 10792 OH2 TIP3A2331 -35.601 -20.267 -0.752 1.00 0.00 WATA O ATOM 10793 H1 TIP3A2331 -34.866 -19.628 -0.525 1.00 0.00 WATA H ATOM 10794 H2 TIP3A2331 -35.215 -21.078 -1.190 1.00 0.00 WATA H ATOM 10795 OH2 TIP3A2332 -5.322 19.557 16.788 1.00 0.00 WATA O ATOM 10796 H1 TIP3A2332 -6.049 20.229 16.645 1.00 0.00 WATA H ATOM 10797 H2 TIP3A2332 -5.691 18.765 17.273 1.00 0.00 WATA H ATOM 10798 OH2 TIP3A2333 27.960 34.520 35.647 1.00 0.00 WATA O ATOM 10799 H1 TIP3A2333 27.330 35.296 35.645 1.00 0.00 WATA H ATOM 10800 H2 TIP3A2333 27.439 33.667 35.650 1.00 0.00 WATA H ATOM 10801 OH2 TIP3A2334 -38.734 48.035 -35.553 1.00 0.00 WATA O ATOM 10802 H1 TIP3A2334 -39.254 47.456 -36.182 1.00 0.00 WATA H ATOM 10803 H2 TIP3A2334 -38.885 48.996 -35.782 1.00 0.00 WATA H ATOM 10804 OH2 TIP3A2335 4.361 7.744 34.886 1.00 0.00 WATA O ATOM 10805 H1 TIP3A2335 4.809 6.861 34.748 1.00 0.00 WATA H ATOM 10806 H2 TIP3A2335 4.478 8.034 35.835 1.00 0.00 WATA H ATOM 10807 OH2 TIP3A2336 -51.514 -22.797 -9.143 1.00 0.00 WATA O ATOM 10808 H1 TIP3A2336 -51.768 -21.975 -9.653 1.00 0.00 WATA H ATOM 10809 H2 TIP3A2336 -51.529 -22.599 -8.163 1.00 0.00 WATA H ATOM 10810 OH2 TIP3A2337 13.404 -36.609 34.110 1.00 0.00 WATA O ATOM 10811 H1 TIP3A2337 14.327 -36.287 33.898 1.00 0.00 WATA H ATOM 10812 H2 TIP3A2337 12.742 -36.117 33.547 1.00 0.00 WATA H ATOM 10813 OH2 TIP3A2338 42.032 -34.674 43.849 1.00 0.00 WATA O ATOM 10814 H1 TIP3A2338 42.269 -33.885 44.416 1.00 0.00 WATA H ATOM 10815 H2 TIP3A2338 41.271 -35.169 44.268 1.00 0.00 WATA H ATOM 10816 OH2 TIP3A2339 -9.103 -27.893 15.284 1.00 0.00 WATA O ATOM 10817 H1 TIP3A2339 -10.079 -27.959 15.495 1.00 0.00 WATA H ATOM 10818 H2 TIP3A2339 -8.766 -28.784 14.982 1.00 0.00 WATA H ATOM 10819 OH2 TIP3A2340 5.586 -20.106 38.436 1.00 0.00 WATA O ATOM 10820 H1 TIP3A2340 5.169 -19.423 37.836 1.00 0.00 WATA H ATOM 10821 H2 TIP3A2340 6.418 -19.730 38.842 1.00 0.00 WATA H ATOM 10822 OH2 TIP3A2341 -39.188 -29.694 -40.839 1.00 0.00 WATA O ATOM 10823 H1 TIP3A2341 -39.415 -29.804 -41.807 1.00 0.00 WATA H ATOM 10824 H2 TIP3A2341 -39.069 -28.723 -40.633 1.00 0.00 WATA H ATOM 10825 OH2 TIP3A2342 13.462 22.357 -19.961 1.00 0.00 WATA O ATOM 10826 H1 TIP3A2342 13.369 23.159 -19.370 1.00 0.00 WATA H ATOM 10827 H2 TIP3A2342 14.318 22.419 -20.475 1.00 0.00 WATA H ATOM 10828 OH2 TIP3A2343 -34.828 -2.861 15.994 1.00 0.00 WATA O ATOM 10829 H1 TIP3A2343 -33.915 -2.460 16.069 1.00 0.00 WATA H ATOM 10830 H2 TIP3A2343 -34.925 -3.307 15.105 1.00 0.00 WATA H ATOM 10831 OH2 TIP3A2344 -38.325 3.264 -44.312 1.00 0.00 WATA O ATOM 10832 H1 TIP3A2344 -38.237 4.249 -44.167 1.00 0.00 WATA H ATOM 10833 H2 TIP3A2344 -37.581 2.789 -43.842 1.00 0.00 WATA H ATOM 10834 OH2 TIP3A2345 -39.038 -44.863 -28.822 1.00 0.00 WATA O ATOM 10835 H1 TIP3A2345 -39.249 -45.426 -28.023 1.00 0.00 WATA H ATOM 10836 H2 TIP3A2345 -38.050 -44.724 -28.881 1.00 0.00 WATA H ATOM 10837 OH2 TIP3A2346 10.541 -44.176 32.239 1.00 0.00 WATA O ATOM 10838 H1 TIP3A2346 9.998 -44.893 31.803 1.00 0.00 WATA H ATOM 10839 H2 TIP3A2346 10.134 -43.284 32.044 1.00 0.00 WATA H ATOM 10840 OH2 TIP3A2347 9.515 -23.353 36.870 1.00 0.00 WATA O ATOM 10841 H1 TIP3A2347 10.295 -22.890 36.449 1.00 0.00 WATA H ATOM 10842 H2 TIP3A2347 9.387 -24.247 36.443 1.00 0.00 WATA H ATOM 10843 OH2 TIP3A2348 17.148 -42.013 -50.141 1.00 0.00 WATA O ATOM 10844 H1 TIP3A2348 17.791 -41.277 -50.354 1.00 0.00 WATA H ATOM 10845 H2 TIP3A2348 17.646 -42.788 -49.754 1.00 0.00 WATA H ATOM 10846 OH2 TIP3A2349 8.060 -16.277 47.735 1.00 0.00 WATA O ATOM 10847 H1 TIP3A2349 7.638 -15.500 48.202 1.00 0.00 WATA H ATOM 10848 H2 TIP3A2349 7.354 -16.813 47.274 1.00 0.00 WATA H ATOM 10849 OH2 TIP3A2350 49.171 -44.825 34.282 1.00 0.00 WATA O ATOM 10850 H1 TIP3A2350 48.951 -44.060 34.888 1.00 0.00 WATA H ATOM 10851 H2 TIP3A2350 49.705 -45.505 34.784 1.00 0.00 WATA H ATOM 10852 OH2 TIP3A2351 18.482 37.196 37.824 1.00 0.00 WATA O ATOM 10853 H1 TIP3A2351 18.998 36.444 38.236 1.00 0.00 WATA H ATOM 10854 H2 TIP3A2351 17.915 36.844 37.080 1.00 0.00 WATA H ATOM 10855 OH2 TIP3A2352 -50.723 -23.529 -25.933 1.00 0.00 WATA O ATOM 10856 H1 TIP3A2352 -51.494 -22.916 -25.763 1.00 0.00 WATA H ATOM 10857 H2 TIP3A2352 -51.062 -24.457 -26.085 1.00 0.00 WATA H ATOM 10858 OH2 TIP3A2353 -26.798 -32.316 -45.674 1.00 0.00 WATA O ATOM 10859 H1 TIP3A2353 -27.368 -32.788 -45.001 1.00 0.00 WATA H ATOM 10860 H2 TIP3A2353 -27.321 -31.575 -46.094 1.00 0.00 WATA H ATOM 10861 OH2 TIP3A2354 -34.283 1.532 43.825 1.00 0.00 WATA O ATOM 10862 H1 TIP3A2354 -33.665 0.851 43.432 1.00 0.00 WATA H ATOM 10863 H2 TIP3A2354 -33.857 1.944 44.630 1.00 0.00 WATA H ATOM 10864 OH2 TIP3A2355 37.334 14.531 45.095 1.00 0.00 WATA O ATOM 10865 H1 TIP3A2355 37.885 14.124 44.366 1.00 0.00 WATA H ATOM 10866 H2 TIP3A2355 36.927 15.383 44.769 1.00 0.00 WATA H ATOM 10867 OH2 TIP3A2356 -22.628 -49.216 7.013 1.00 0.00 WATA O ATOM 10868 H1 TIP3A2356 -22.881 -50.184 6.995 1.00 0.00 WATA H ATOM 10869 H2 TIP3A2356 -21.676 -49.114 6.729 1.00 0.00 WATA H ATOM 10870 OH2 TIP3A2357 -39.762 46.968 21.058 1.00 0.00 WATA O ATOM 10871 H1 TIP3A2357 -40.634 46.859 21.537 1.00 0.00 WATA H ATOM 10872 H2 TIP3A2357 -39.215 46.139 21.169 1.00 0.00 WATA H ATOM 10873 OH2 TIP3A2358 -32.326 47.591 -52.710 1.00 0.00 WATA O ATOM 10874 H1 TIP3A2358 -33.172 48.097 -52.881 1.00 0.00 WATA H ATOM 10875 H2 TIP3A2358 -32.510 46.610 -52.755 1.00 0.00 WATA H ATOM 10876 OH2 TIP3A2359 26.293 18.276 -31.683 1.00 0.00 WATA O ATOM 10877 H1 TIP3A2359 26.552 18.699 -30.815 1.00 0.00 WATA H ATOM 10878 H2 TIP3A2359 27.043 17.704 -32.013 1.00 0.00 WATA H ATOM 10879 OH2 TIP3A2360 -33.921 47.819 5.712 1.00 0.00 WATA O ATOM 10880 H1 TIP3A2360 -33.422 48.395 5.065 1.00 0.00 WATA H ATOM 10881 H2 TIP3A2360 -34.890 47.807 5.469 1.00 0.00 WATA H ATOM 10882 OH2 TIP3A2361 -28.957 -44.484 -3.267 1.00 0.00 WATA O ATOM 10883 H1 TIP3A2361 -29.135 -43.522 -3.475 1.00 0.00 WATA H ATOM 10884 H2 TIP3A2361 -29.796 -44.916 -2.938 1.00 0.00 WATA H ATOM 10885 OH2 TIP3A2362 26.166 43.816 -43.907 1.00 0.00 WATA O ATOM 10886 H1 TIP3A2362 26.088 44.661 -43.376 1.00 0.00 WATA H ATOM 10887 H2 TIP3A2362 26.339 43.049 -43.291 1.00 0.00 WATA H ATOM 10888 OH2 TIP3A2363 15.078 32.978 -48.499 1.00 0.00 WATA O ATOM 10889 H1 TIP3A2363 15.982 33.392 -48.387 1.00 0.00 WATA H ATOM 10890 H2 TIP3A2363 15.128 32.004 -48.280 1.00 0.00 WATA H ATOM 10891 OH2 TIP3A2364 9.825 -23.172 -42.161 1.00 0.00 WATA O ATOM 10892 H1 TIP3A2364 10.242 -22.693 -42.933 1.00 0.00 WATA H ATOM 10893 H2 TIP3A2364 9.238 -22.542 -41.654 1.00 0.00 WATA H ATOM 10894 OH2 TIP3A2365 5.964 39.615 3.468 1.00 0.00 WATA O ATOM 10895 H1 TIP3A2365 5.082 39.404 3.048 1.00 0.00 WATA H ATOM 10896 H2 TIP3A2365 6.664 39.003 3.101 1.00 0.00 WATA H ATOM 10897 OH2 TIP3A2366 -3.518 36.864 -15.528 1.00 0.00 WATA O ATOM 10898 H1 TIP3A2366 -3.283 36.304 -16.323 1.00 0.00 WATA H ATOM 10899 H2 TIP3A2366 -4.251 36.421 -15.013 1.00 0.00 WATA H ATOM 10900 OH2 TIP3A2367 49.445 21.584 47.577 1.00 0.00 WATA O ATOM 10901 H1 TIP3A2367 50.247 20.987 47.605 1.00 0.00 WATA H ATOM 10902 H2 TIP3A2367 48.616 21.028 47.533 1.00 0.00 WATA H ATOM 10903 OH2 TIP3A2368 33.880 44.547 -48.579 1.00 0.00 WATA O ATOM 10904 H1 TIP3A2368 34.138 45.498 -48.406 1.00 0.00 WATA H ATOM 10905 H2 TIP3A2368 34.560 43.937 -48.173 1.00 0.00 WATA H ATOM 10906 OH2 TIP3A2369 49.721 36.566 -16.598 1.00 0.00 WATA O ATOM 10907 H1 TIP3A2369 50.619 36.127 -16.587 1.00 0.00 WATA H ATOM 10908 H2 TIP3A2369 49.008 35.867 -16.648 1.00 0.00 WATA H ATOM 10909 OH2 TIP3A2370 -40.286 -45.053 -39.279 1.00 0.00 WATA O ATOM 10910 H1 TIP3A2370 -40.832 -45.809 -38.918 1.00 0.00 WATA H ATOM 10911 H2 TIP3A2370 -39.315 -45.274 -39.198 1.00 0.00 WATA H ATOM 10912 OH2 TIP3A2371 46.927 -0.455 -21.351 1.00 0.00 WATA O ATOM 10913 H1 TIP3A2371 47.720 0.149 -21.429 1.00 0.00 WATA H ATOM 10914 H2 TIP3A2371 46.122 0.082 -21.101 1.00 0.00 WATA H ATOM 10915 OH2 TIP3A2372 -26.304 23.863 -9.723 1.00 0.00 WATA O ATOM 10916 H1 TIP3A2372 -25.860 23.050 -9.345 1.00 0.00 WATA H ATOM 10917 H2 TIP3A2372 -25.608 24.502 -10.048 1.00 0.00 WATA H ATOM 10918 OH2 TIP3A2373 -42.144 -15.007 -16.723 1.00 0.00 WATA O ATOM 10919 H1 TIP3A2373 -41.392 -14.376 -16.917 1.00 0.00 WATA H ATOM 10920 H2 TIP3A2373 -42.520 -14.811 -15.818 1.00 0.00 WATA H ATOM 10921 OH2 TIP3A2374 3.169 -40.531 48.466 1.00 0.00 WATA O ATOM 10922 H1 TIP3A2374 2.700 -39.841 49.018 1.00 0.00 WATA H ATOM 10923 H2 TIP3A2374 2.609 -41.358 48.419 1.00 0.00 WATA H ATOM 10924 OH2 TIP3A2375 21.011 -5.580 31.361 1.00 0.00 WATA O ATOM 10925 H1 TIP3A2375 20.519 -5.881 30.543 1.00 0.00 WATA H ATOM 10926 H2 TIP3A2375 21.476 -6.361 31.777 1.00 0.00 WATA H ATOM 10927 OH2 TIP3A2376 19.982 52.685 -16.879 1.00 0.00 WATA O ATOM 10928 H1 TIP3A2376 19.485 53.049 -16.091 1.00 0.00 WATA H ATOM 10929 H2 TIP3A2376 19.947 53.345 -17.629 1.00 0.00 WATA H ATOM 10930 OH2 TIP3A2377 -36.210 1.574 27.295 1.00 0.00 WATA O ATOM 10931 H1 TIP3A2377 -37.121 1.636 26.887 1.00 0.00 WATA H ATOM 10932 H2 TIP3A2377 -35.805 0.688 27.073 1.00 0.00 WATA H ATOM 10933 OH2 TIP3A2378 7.660 24.065 -47.035 1.00 0.00 WATA O ATOM 10934 H1 TIP3A2378 8.139 24.661 -47.679 1.00 0.00 WATA H ATOM 10935 H2 TIP3A2378 7.984 23.126 -47.146 1.00 0.00 WATA H ATOM 10936 OH2 TIP3A2379 18.750 40.579 -44.331 1.00 0.00 WATA O ATOM 10937 H1 TIP3A2379 19.353 40.039 -44.918 1.00 0.00 WATA H ATOM 10938 H2 TIP3A2379 18.051 39.985 -43.934 1.00 0.00 WATA H ATOM 10939 OH2 TIP3A2380 -33.812 17.836 -38.709 1.00 0.00 WATA O ATOM 10940 H1 TIP3A2380 -33.705 18.830 -38.742 1.00 0.00 WATA H ATOM 10941 H2 TIP3A2380 -32.917 17.408 -38.583 1.00 0.00 WATA H ATOM 10942 OH2 TIP3A2381 5.008 28.765 47.637 1.00 0.00 WATA O ATOM 10943 H1 TIP3A2381 4.361 28.913 48.384 1.00 0.00 WATA H ATOM 10944 H2 TIP3A2381 5.563 29.587 47.509 1.00 0.00 WATA H ATOM 10945 OH2 TIP3A2382 -4.149 30.128 -32.119 1.00 0.00 WATA O ATOM 10946 H1 TIP3A2382 -4.073 30.277 -33.105 1.00 0.00 WATA H ATOM 10947 H2 TIP3A2382 -4.017 30.995 -31.640 1.00 0.00 WATA H ATOM 10948 OH2 TIP3A2383 42.440 -25.096 37.093 1.00 0.00 WATA O ATOM 10949 H1 TIP3A2383 42.544 -25.646 37.922 1.00 0.00 WATA H ATOM 10950 H2 TIP3A2383 41.725 -24.412 37.234 1.00 0.00 WATA H ATOM 10951 OH2 TIP3A2384 -5.864 -26.606 18.915 1.00 0.00 WATA O ATOM 10952 H1 TIP3A2384 -6.839 -26.539 18.704 1.00 0.00 WATA H ATOM 10953 H2 TIP3A2384 -5.589 -27.567 18.919 1.00 0.00 WATA H ATOM 10954 OH2 TIP3A2385 -17.640 -31.226 37.744 1.00 0.00 WATA O ATOM 10955 H1 TIP3A2385 -16.681 -31.124 37.480 1.00 0.00 WATA H ATOM 10956 H2 TIP3A2385 -18.105 -30.346 37.660 1.00 0.00 WATA H ATOM 10957 OH2 TIP3A2386 -49.521 -31.403 -24.817 1.00 0.00 WATA O ATOM 10958 H1 TIP3A2386 -48.574 -31.407 -25.140 1.00 0.00 WATA H ATOM 10959 H2 TIP3A2386 -49.796 -30.466 -24.604 1.00 0.00 WATA H ATOM 10960 OH2 TIP3A2387 37.883 24.590 39.598 1.00 0.00 WATA O ATOM 10961 H1 TIP3A2387 37.399 23.968 40.214 1.00 0.00 WATA H ATOM 10962 H2 TIP3A2387 38.791 24.224 39.400 1.00 0.00 WATA H ATOM 10963 OH2 TIP3A2388 12.233 -34.350 -45.280 1.00 0.00 WATA O ATOM 10964 H1 TIP3A2388 11.711 -35.161 -45.545 1.00 0.00 WATA H ATOM 10965 H2 TIP3A2388 12.977 -34.204 -45.932 1.00 0.00 WATA H ATOM 10966 OH2 TIP3A2389 26.250 -50.686 42.979 1.00 0.00 WATA O ATOM 10967 H1 TIP3A2389 25.498 -50.163 43.382 1.00 0.00 WATA H ATOM 10968 H2 TIP3A2389 26.589 -50.210 42.168 1.00 0.00 WATA H ATOM 10969 OH2 TIP3A2390 -47.086 -44.485 0.878 1.00 0.00 WATA O ATOM 10970 H1 TIP3A2390 -46.868 -45.043 0.077 1.00 0.00 WATA H ATOM 10971 H2 TIP3A2390 -47.977 -44.755 1.240 1.00 0.00 WATA H ATOM 10972 OH2 TIP3A2391 17.399 -43.365 40.586 1.00 0.00 WATA O ATOM 10973 H1 TIP3A2391 17.845 -43.680 39.748 1.00 0.00 WATA H ATOM 10974 H2 TIP3A2391 17.119 -44.153 41.132 1.00 0.00 WATA H ATOM 10975 OH2 TIP3A2392 -50.582 6.390 48.363 1.00 0.00 WATA O ATOM 10976 H1 TIP3A2392 -50.972 5.686 48.957 1.00 0.00 WATA H ATOM 10977 H2 TIP3A2392 -51.291 6.741 47.752 1.00 0.00 WATA H ATOM 10978 OH2 TIP3A2393 -42.119 12.092 -46.899 1.00 0.00 WATA O ATOM 10979 H1 TIP3A2393 -42.095 12.873 -46.275 1.00 0.00 WATA H ATOM 10980 H2 TIP3A2393 -41.346 12.147 -47.531 1.00 0.00 WATA H ATOM 10981 OH2 TIP3A2394 -8.622 50.643 36.794 1.00 0.00 WATA O ATOM 10982 H1 TIP3A2394 -7.849 50.643 37.429 1.00 0.00 WATA H ATOM 10983 H2 TIP3A2394 -8.755 51.565 36.430 1.00 0.00 WATA H ATOM 10984 OH2 TIP3A2395 -39.070 -29.318 7.322 1.00 0.00 WATA O ATOM 10985 H1 TIP3A2395 -38.306 -29.964 7.344 1.00 0.00 WATA H ATOM 10986 H2 TIP3A2395 -39.557 -29.407 6.454 1.00 0.00 WATA H ATOM 10987 OH2 TIP3A2396 30.756 -36.454 -28.224 1.00 0.00 WATA O ATOM 10988 H1 TIP3A2396 31.371 -35.808 -28.678 1.00 0.00 WATA H ATOM 10989 H2 TIP3A2396 30.465 -36.076 -27.346 1.00 0.00 WATA H ATOM 10990 OH2 TIP3A2397 32.061 24.182 -49.783 1.00 0.00 WATA O ATOM 10991 H1 TIP3A2397 32.048 25.146 -49.517 1.00 0.00 WATA H ATOM 10992 H2 TIP3A2397 31.123 23.854 -49.893 1.00 0.00 WATA H ATOM 10993 OH2 TIP3A2398 -25.425 32.436 6.199 1.00 0.00 WATA O ATOM 10994 H1 TIP3A2398 -26.297 32.487 5.710 1.00 0.00 WATA H ATOM 10995 H2 TIP3A2398 -25.187 33.340 6.552 1.00 0.00 WATA H ATOM 10996 OH2 TIP3A2399 37.119 -45.951 26.353 1.00 0.00 WATA O ATOM 10997 H1 TIP3A2399 37.784 -46.556 26.791 1.00 0.00 WATA H ATOM 10998 H2 TIP3A2399 37.492 -45.613 25.490 1.00 0.00 WATA H ATOM 10999 OH2 TIP3A2400 -51.263 -20.591 -14.501 1.00 0.00 WATA O ATOM 11000 H1 TIP3A2400 -51.769 -21.330 -14.055 1.00 0.00 WATA H ATOM 11001 H2 TIP3A2400 -51.894 -20.027 -15.032 1.00 0.00 WATA H ATOM 11002 OH2 TIP3A2401 -49.664 9.002 -30.129 1.00 0.00 WATA O ATOM 11003 H1 TIP3A2401 -49.702 8.113 -29.672 1.00 0.00 WATA H ATOM 11004 H2 TIP3A2401 -49.339 9.694 -29.485 1.00 0.00 WATA H ATOM 11005 OH2 TIP3A2402 49.357 -33.146 -51.680 1.00 0.00 WATA O ATOM 11006 H1 TIP3A2402 50.226 -33.636 -51.741 1.00 0.00 WATA H ATOM 11007 H2 TIP3A2402 49.057 -33.115 -50.727 1.00 0.00 WATA H ATOM 11008 OH2 TIP3A2403 -5.888 46.560 11.873 1.00 0.00 WATA O ATOM 11009 H1 TIP3A2403 -6.244 47.287 12.460 1.00 0.00 WATA H ATOM 11010 H2 TIP3A2403 -6.342 46.598 10.983 1.00 0.00 WATA H ATOM 11011 OH2 TIP3A2404 -45.434 4.366 34.381 1.00 0.00 WATA O ATOM 11012 H1 TIP3A2404 -45.014 4.301 35.287 1.00 0.00 WATA H ATOM 11013 H2 TIP3A2404 -45.929 3.521 34.182 1.00 0.00 WATA H ATOM 11014 OH2 TIP3A2405 39.833 -15.794 20.677 1.00 0.00 WATA O ATOM 11015 H1 TIP3A2405 40.442 -16.587 20.661 1.00 0.00 WATA H ATOM 11016 H2 TIP3A2405 40.373 -14.961 20.791 1.00 0.00 WATA H ATOM 11017 OH2 TIP3A2406 -39.643 -30.768 25.629 1.00 0.00 WATA O ATOM 11018 H1 TIP3A2406 -40.143 -31.634 25.655 1.00 0.00 WATA H ATOM 11019 H2 TIP3A2406 -40.256 -30.021 25.883 1.00 0.00 WATA H ATOM 11020 OH2 TIP3A2407 -27.780 25.807 -35.109 1.00 0.00 WATA O ATOM 11021 H1 TIP3A2407 -26.834 25.914 -35.417 1.00 0.00 WATA H ATOM 11022 H2 TIP3A2407 -27.965 24.842 -34.928 1.00 0.00 WATA H ATOM 11023 OH2 TIP3A2408 -47.874 -38.557 -20.650 1.00 0.00 WATA O ATOM 11024 H1 TIP3A2408 -47.378 -39.244 -21.180 1.00 0.00 WATA H ATOM 11025 H2 TIP3A2408 -48.688 -38.270 -21.153 1.00 0.00 WATA H ATOM 11026 OH2 TIP3A2409 28.462 -41.480 23.964 1.00 0.00 WATA O ATOM 11027 H1 TIP3A2409 28.498 -40.539 24.300 1.00 0.00 WATA H ATOM 11028 H2 TIP3A2409 28.311 -42.104 24.730 1.00 0.00 WATA H ATOM 11029 OH2 TIP3A2410 -24.085 6.615 26.307 1.00 0.00 WATA O ATOM 11030 H1 TIP3A2410 -23.484 7.070 25.649 1.00 0.00 WATA H ATOM 11031 H2 TIP3A2410 -24.449 7.290 26.948 1.00 0.00 WATA H ATOM 11032 OH2 TIP3A2411 24.148 -52.462 45.507 1.00 0.00 WATA O ATOM 11033 H1 TIP3A2411 23.267 -52.510 45.978 1.00 0.00 WATA H ATOM 11034 H2 TIP3A2411 24.880 -52.348 46.178 1.00 0.00 WATA H ATOM 11035 OH2 TIP3A2412 36.330 48.312 37.831 1.00 0.00 WATA O ATOM 11036 H1 TIP3A2412 36.855 48.357 38.681 1.00 0.00 WATA H ATOM 11037 H2 TIP3A2412 35.374 48.538 38.017 1.00 0.00 WATA H ATOM 11038 OH2 TIP3A2413 -35.371 -15.722 31.196 1.00 0.00 WATA O ATOM 11039 H1 TIP3A2413 -36.128 -15.370 30.644 1.00 0.00 WATA H ATOM 11040 H2 TIP3A2413 -35.689 -15.892 32.128 1.00 0.00 WATA H ATOM 11041 OH2 TIP3A2414 15.316 19.302 -31.382 1.00 0.00 WATA O ATOM 11042 H1 TIP3A2414 14.846 20.180 -31.285 1.00 0.00 WATA H ATOM 11043 H2 TIP3A2414 15.678 19.218 -32.310 1.00 0.00 WATA H ATOM 11044 OH2 TIP3A2415 20.844 8.884 -27.206 1.00 0.00 WATA O ATOM 11045 H1 TIP3A2415 21.615 9.379 -26.805 1.00 0.00 WATA H ATOM 11046 H2 TIP3A2415 20.055 8.945 -26.595 1.00 0.00 WATA H ATOM 11047 OH2 TIP3A2416 52.412 2.073 -40.014 1.00 0.00 WATA O ATOM 11048 H1 TIP3A2416 53.054 1.845 -40.746 1.00 0.00 WATA H ATOM 11049 H2 TIP3A2416 51.919 2.909 -40.250 1.00 0.00 WATA H ATOM 11050 OH2 TIP3A2417 -16.145 -50.027 -3.192 1.00 0.00 WATA O ATOM 11051 H1 TIP3A2417 -15.894 -49.542 -2.354 1.00 0.00 WATA H ATOM 11052 H2 TIP3A2417 -15.320 -50.382 -3.631 1.00 0.00 WATA H ATOM 11053 OH2 TIP3A2418 -12.244 24.326 -31.545 1.00 0.00 WATA O ATOM 11054 H1 TIP3A2418 -13.129 23.861 -31.517 1.00 0.00 WATA H ATOM 11055 H2 TIP3A2418 -11.510 23.648 -31.534 1.00 0.00 WATA H ATOM 11056 OH2 TIP3A2419 -19.993 33.281 -48.191 1.00 0.00 WATA O ATOM 11057 H1 TIP3A2419 -20.290 32.786 -49.007 1.00 0.00 WATA H ATOM 11058 H2 TIP3A2419 -19.717 32.629 -47.486 1.00 0.00 WATA H ATOM 11059 OH2 TIP3A2420 4.684 -37.837 -25.137 1.00 0.00 WATA O ATOM 11060 H1 TIP3A2420 5.611 -38.191 -25.008 1.00 0.00 WATA H ATOM 11061 H2 TIP3A2420 4.057 -38.597 -25.307 1.00 0.00 WATA H ATOM 11062 OH2 TIP3A2421 8.397 25.209 3.113 1.00 0.00 WATA O ATOM 11063 H1 TIP3A2421 8.711 25.747 2.330 1.00 0.00 WATA H ATOM 11064 H2 TIP3A2421 9.019 24.441 3.261 1.00 0.00 WATA H ATOM 11065 OH2 TIP3A2422 -37.278 -45.583 -14.887 1.00 0.00 WATA O ATOM 11066 H1 TIP3A2422 -36.822 -44.958 -14.253 1.00 0.00 WATA H ATOM 11067 H2 TIP3A2422 -38.134 -45.174 -15.201 1.00 0.00 WATA H ATOM 11068 OH2 TIP3A2423 7.087 20.610 -38.021 1.00 0.00 WATA O ATOM 11069 H1 TIP3A2423 8.009 20.364 -38.321 1.00 0.00 WATA H ATOM 11070 H2 TIP3A2423 7.143 21.175 -37.199 1.00 0.00 WATA H ATOM 11071 OH2 TIP3A2424 42.234 18.182 17.684 1.00 0.00 WATA O ATOM 11072 H1 TIP3A2424 42.748 17.449 18.130 1.00 0.00 WATA H ATOM 11073 H2 TIP3A2424 41.500 18.491 18.288 1.00 0.00 WATA H ATOM 11074 OH2 TIP3A2425 40.038 -47.703 26.745 1.00 0.00 WATA O ATOM 11075 H1 TIP3A2425 40.787 -47.212 27.191 1.00 0.00 WATA H ATOM 11076 H2 TIP3A2425 40.330 -48.636 26.533 1.00 0.00 WATA H ATOM 11077 OH2 TIP3A2426 48.308 -46.185 47.054 1.00 0.00 WATA O ATOM 11078 H1 TIP3A2426 48.838 -45.552 46.490 1.00 0.00 WATA H ATOM 11079 H2 TIP3A2426 48.396 -45.930 48.016 1.00 0.00 WATA H ATOM 11080 OH2 TIP3A2427 16.291 19.421 14.604 1.00 0.00 WATA O ATOM 11081 H1 TIP3A2427 15.932 19.473 15.536 1.00 0.00 WATA H ATOM 11082 H2 TIP3A2427 15.847 18.669 14.117 1.00 0.00 WATA H ATOM 11083 OH2 TIP3A2428 27.940 16.638 26.433 1.00 0.00 WATA O ATOM 11084 H1 TIP3A2428 27.864 17.259 27.213 1.00 0.00 WATA H ATOM 11085 H2 TIP3A2428 28.804 16.804 25.958 1.00 0.00 WATA H ATOM 11086 OH2 TIP3A2429 17.580 -45.167 26.999 1.00 0.00 WATA O ATOM 11087 H1 TIP3A2429 18.533 -45.156 26.695 1.00 0.00 WATA H ATOM 11088 H2 TIP3A2429 17.120 -44.338 26.682 1.00 0.00 WATA H ATOM 11089 OH2 TIP3A2430 30.759 -44.809 11.201 1.00 0.00 WATA O ATOM 11090 H1 TIP3A2430 30.591 -45.404 10.415 1.00 0.00 WATA H ATOM 11091 H2 TIP3A2430 31.055 -43.910 10.882 1.00 0.00 WATA H ATOM 11092 OH2 TIP3A2431 8.739 40.353 53.035 1.00 0.00 WATA O ATOM 11093 H1 TIP3A2431 9.474 41.023 53.142 1.00 0.00 WATA H ATOM 11094 H2 TIP3A2431 7.877 40.751 53.345 1.00 0.00 WATA H ATOM 11095 OH2 TIP3A2432 -19.189 -11.702 -10.224 1.00 0.00 WATA O ATOM 11096 H1 TIP3A2432 -19.552 -10.770 -10.237 1.00 0.00 WATA H ATOM 11097 H2 TIP3A2432 -19.929 -12.350 -10.401 1.00 0.00 WATA H ATOM 11098 OH2 TIP3A2433 -52.369 47.942 -43.747 1.00 0.00 WATA O ATOM 11099 H1 TIP3A2433 -53.223 48.337 -43.410 1.00 0.00 WATA H ATOM 11100 H2 TIP3A2433 -52.305 46.988 -43.456 1.00 0.00 WATA H ATOM 11101 OH2 TIP3A2434 34.644 28.881 50.793 1.00 0.00 WATA O ATOM 11102 H1 TIP3A2434 35.485 28.432 51.093 1.00 0.00 WATA H ATOM 11103 H2 TIP3A2434 33.964 28.190 50.549 1.00 0.00 WATA H ATOM 11104 OH2 TIP3A2435 -29.752 51.059 20.896 1.00 0.00 WATA O ATOM 11105 H1 TIP3A2435 -29.349 51.961 20.742 1.00 0.00 WATA H ATOM 11106 H2 TIP3A2435 -29.113 50.352 20.594 1.00 0.00 WATA H ATOM 11107 OH2 TIP3A2436 33.021 -2.709 -13.556 1.00 0.00 WATA O ATOM 11108 H1 TIP3A2436 32.093 -3.000 -13.791 1.00 0.00 WATA H ATOM 11109 H2 TIP3A2436 32.995 -1.781 -13.184 1.00 0.00 WATA H ATOM 11110 OH2 TIP3A2437 1.554 21.499 18.762 1.00 0.00 WATA O ATOM 11111 H1 TIP3A2437 0.881 22.161 18.429 1.00 0.00 WATA H ATOM 11112 H2 TIP3A2437 2.323 21.985 19.175 1.00 0.00 WATA H ATOM 11113 OH2 TIP3A2438 -26.190 39.293 -34.908 1.00 0.00 WATA O ATOM 11114 H1 TIP3A2438 -25.704 38.496 -35.266 1.00 0.00 WATA H ATOM 11115 H2 TIP3A2438 -27.169 39.191 -35.078 1.00 0.00 WATA H ATOM 11116 OH2 TIP3A2439 4.123 -9.841 47.328 1.00 0.00 WATA O ATOM 11117 H1 TIP3A2439 3.187 -9.534 47.503 1.00 0.00 WATA H ATOM 11118 H2 TIP3A2439 4.473 -10.321 48.132 1.00 0.00 WATA H ATOM 11119 OH2 TIP3A2440 -35.802 -10.323 32.051 1.00 0.00 WATA O ATOM 11120 H1 TIP3A2440 -36.182 -11.231 32.224 1.00 0.00 WATA H ATOM 11121 H2 TIP3A2440 -34.844 -10.408 31.779 1.00 0.00 WATA H ATOM 11122 OH2 TIP3A2441 -52.645 -37.780 15.807 1.00 0.00 WATA O ATOM 11123 H1 TIP3A2441 -53.345 -38.488 15.900 1.00 0.00 WATA H ATOM 11124 H2 TIP3A2441 -53.081 -36.903 15.608 1.00 0.00 WATA H ATOM 11125 OH2 TIP3A2442 6.903 -44.876 -4.274 1.00 0.00 WATA O ATOM 11126 H1 TIP3A2442 6.388 -45.708 -4.483 1.00 0.00 WATA H ATOM 11127 H2 TIP3A2442 6.363 -44.291 -3.670 1.00 0.00 WATA H ATOM 11128 OH2 TIP3A2443 -8.579 14.567 52.377 1.00 0.00 WATA O ATOM 11129 H1 TIP3A2443 -8.595 14.818 53.345 1.00 0.00 WATA H ATOM 11130 H2 TIP3A2443 -8.437 15.386 51.822 1.00 0.00 WATA H ATOM 11131 OH2 TIP3A2444 43.026 14.989 -27.246 1.00 0.00 WATA O ATOM 11132 H1 TIP3A2444 43.132 15.966 -27.433 1.00 0.00 WATA H ATOM 11133 H2 TIP3A2444 42.105 14.813 -26.899 1.00 0.00 WATA H ATOM 11134 OH2 TIP3A2445 -1.372 49.911 22.797 1.00 0.00 WATA O ATOM 11135 H1 TIP3A2445 -2.302 49.561 22.911 1.00 0.00 WATA H ATOM 11136 H2 TIP3A2445 -1.391 50.910 22.775 1.00 0.00 WATA H ATOM 11137 OH2 TIP3A2446 -6.650 -46.212 -13.789 1.00 0.00 WATA O ATOM 11138 H1 TIP3A2446 -7.216 -45.733 -14.461 1.00 0.00 WATA H ATOM 11139 H2 TIP3A2446 -6.586 -45.665 -12.955 1.00 0.00 WATA H ATOM 11140 OH2 TIP3A2447 23.816 46.708 16.384 1.00 0.00 WATA O ATOM 11141 H1 TIP3A2447 24.418 47.049 15.661 1.00 0.00 WATA H ATOM 11142 H2 TIP3A2447 24.238 46.872 17.275 1.00 0.00 WATA H ATOM 11143 OH2 TIP3A2448 48.033 -47.795 -14.626 1.00 0.00 WATA O ATOM 11144 H1 TIP3A2448 47.208 -47.241 -14.741 1.00 0.00 WATA H ATOM 11145 H2 TIP3A2448 47.805 -48.761 -14.747 1.00 0.00 WATA H ATOM 11146 OH2 TIP3A2449 -50.099 -23.370 -44.472 1.00 0.00 WATA O ATOM 11147 H1 TIP3A2449 -51.036 -23.030 -44.399 1.00 0.00 WATA H ATOM 11148 H2 TIP3A2449 -50.086 -24.354 -44.296 1.00 0.00 WATA H ATOM 11149 OH2 TIP3A2450 -18.708 -7.384 -50.860 1.00 0.00 WATA O ATOM 11150 H1 TIP3A2450 -19.107 -6.560 -50.459 1.00 0.00 WATA H ATOM 11151 H2 TIP3A2450 -18.290 -7.160 -51.740 1.00 0.00 WATA H ATOM 11152 OH2 TIP3A2451 -25.939 10.439 -35.968 1.00 0.00 WATA O ATOM 11153 H1 TIP3A2451 -25.627 10.871 -35.121 1.00 0.00 WATA H ATOM 11154 H2 TIP3A2451 -26.286 11.140 -36.591 1.00 0.00 WATA H ATOM 11155 OH2 TIP3A2452 36.833 6.181 -5.685 1.00 0.00 WATA O ATOM 11156 H1 TIP3A2452 37.307 6.049 -6.556 1.00 0.00 WATA H ATOM 11157 H2 TIP3A2452 37.318 5.690 -4.962 1.00 0.00 WATA H ATOM 11158 OH2 TIP3A2453 21.547 -36.662 26.688 1.00 0.00 WATA O ATOM 11159 H1 TIP3A2453 21.034 -37.290 27.273 1.00 0.00 WATA H ATOM 11160 H2 TIP3A2453 21.728 -37.098 25.807 1.00 0.00 WATA H ATOM 11161 OH2 TIP3A2454 10.308 33.603 11.212 1.00 0.00 WATA O ATOM 11162 H1 TIP3A2454 9.867 34.232 11.852 1.00 0.00 WATA H ATOM 11163 H2 TIP3A2454 11.077 33.153 11.663 1.00 0.00 WATA H ATOM 11164 OH2 TIP3A2455 40.872 -15.268 -44.192 1.00 0.00 WATA O ATOM 11165 H1 TIP3A2455 41.162 -16.223 -44.261 1.00 0.00 WATA H ATOM 11166 H2 TIP3A2455 39.924 -15.185 -44.497 1.00 0.00 WATA H ATOM 11167 OH2 TIP3A2456 -19.907 -11.641 35.232 1.00 0.00 WATA O ATOM 11168 H1 TIP3A2456 -19.311 -12.444 35.244 1.00 0.00 WATA H ATOM 11169 H2 TIP3A2456 -20.725 -11.840 34.694 1.00 0.00 WATA H ATOM 11170 OH2 TIP3A2457 22.179 42.412 29.875 1.00 0.00 WATA O ATOM 11171 H1 TIP3A2457 21.993 43.347 30.179 1.00 0.00 WATA H ATOM 11172 H2 TIP3A2457 23.074 42.123 30.213 1.00 0.00 WATA H ATOM 11173 OH2 TIP3A2458 -39.950 -2.377 40.920 1.00 0.00 WATA O ATOM 11174 H1 TIP3A2458 -39.582 -2.550 41.834 1.00 0.00 WATA H ATOM 11175 H2 TIP3A2458 -39.263 -1.909 40.366 1.00 0.00 WATA H ATOM 11176 OH2 TIP3A2459 46.469 -42.864 40.839 1.00 0.00 WATA O ATOM 11177 H1 TIP3A2459 46.738 -41.933 40.592 1.00 0.00 WATA H ATOM 11178 H2 TIP3A2459 45.985 -43.285 40.072 1.00 0.00 WATA H ATOM 11179 OH2 TIP3A2460 -28.955 39.637 44.377 1.00 0.00 WATA O ATOM 11180 H1 TIP3A2460 -28.397 40.241 43.807 1.00 0.00 WATA H ATOM 11181 H2 TIP3A2460 -29.910 39.929 44.338 1.00 0.00 WATA H ATOM 11182 OH2 TIP3A2461 -53.244 7.556 -9.314 1.00 0.00 WATA O ATOM 11183 H1 TIP3A2461 -52.273 7.795 -9.345 1.00 0.00 WATA H ATOM 11184 H2 TIP3A2461 -53.345 6.563 -9.353 1.00 0.00 WATA H ATOM 11185 OH2 TIP3A2462 14.363 11.992 -26.844 1.00 0.00 WATA O ATOM 11186 H1 TIP3A2462 15.146 11.688 -27.387 1.00 0.00 WATA H ATOM 11187 H2 TIP3A2462 13.933 11.202 -26.408 1.00 0.00 WATA H ATOM 11188 OH2 TIP3A2463 -41.065 -10.588 -46.036 1.00 0.00 WATA O ATOM 11189 H1 TIP3A2463 -42.053 -10.734 -46.078 1.00 0.00 WATA H ATOM 11190 H2 TIP3A2463 -40.865 -9.618 -46.172 1.00 0.00 WATA H ATOM 11191 OH2 TIP3A2464 -8.711 -50.097 38.721 1.00 0.00 WATA O ATOM 11192 H1 TIP3A2464 -7.717 -50.186 38.780 1.00 0.00 WATA H ATOM 11193 H2 TIP3A2464 -9.007 -49.300 39.246 1.00 0.00 WATA H ATOM 11194 OH2 TIP3A2465 -7.569 -19.388 18.679 1.00 0.00 WATA O ATOM 11195 H1 TIP3A2465 -7.609 -20.243 18.160 1.00 0.00 WATA H ATOM 11196 H2 TIP3A2465 -7.253 -19.576 19.608 1.00 0.00 WATA H ATOM 11197 OH2 TIP3A2466 10.955 -5.601 32.533 1.00 0.00 WATA O ATOM 11198 H1 TIP3A2466 10.566 -6.508 32.368 1.00 0.00 WATA H ATOM 11199 H2 TIP3A2466 11.937 -5.621 32.351 1.00 0.00 WATA H ATOM 11200 OH2 TIP3A2467 3.799 28.788 -29.884 1.00 0.00 WATA O ATOM 11201 H1 TIP3A2467 3.966 27.803 -29.833 1.00 0.00 WATA H ATOM 11202 H2 TIP3A2467 2.817 28.956 -29.959 1.00 0.00 WATA H ATOM 11203 OH2 TIP3A2468 9.152 33.111 -22.081 1.00 0.00 WATA O ATOM 11204 H1 TIP3A2468 9.503 32.174 -22.071 1.00 0.00 WATA H ATOM 11205 H2 TIP3A2468 8.153 33.094 -22.053 1.00 0.00 WATA H ATOM 11206 OH2 TIP3A2469 -21.097 49.291 -12.763 1.00 0.00 WATA O ATOM 11207 H1 TIP3A2469 -21.049 49.123 -13.748 1.00 0.00 WATA H ATOM 11208 H2 TIP3A2469 -20.173 49.377 -12.394 1.00 0.00 WATA H ATOM 11209 OH2 TIP3A2470 -38.787 15.473 39.320 1.00 0.00 WATA O ATOM 11210 H1 TIP3A2470 -38.519 14.545 39.061 1.00 0.00 WATA H ATOM 11211 H2 TIP3A2470 -39.740 15.473 39.621 1.00 0.00 WATA H ATOM 11212 OH2 TIP3A2471 -34.012 -28.158 -9.537 1.00 0.00 WATA O ATOM 11213 H1 TIP3A2471 -33.533 -27.650 -10.253 1.00 0.00 WATA H ATOM 11214 H2 TIP3A2471 -34.115 -29.112 -9.818 1.00 0.00 WATA H ATOM 11215 OH2 TIP3A2472 1.427 -53.344 -27.274 1.00 0.00 WATA O ATOM 11216 H1 TIP3A2472 1.711 -53.301 -28.232 1.00 0.00 WATA H ATOM 11217 H2 TIP3A2472 2.226 -53.236 -26.683 1.00 0.00 WATA H ATOM 11218 OH2 TIP3A2473 -3.579 -40.392 39.456 1.00 0.00 WATA O ATOM 11219 H1 TIP3A2473 -4.312 -41.051 39.285 1.00 0.00 WATA H ATOM 11220 H2 TIP3A2473 -3.961 -39.469 39.490 1.00 0.00 WATA H ATOM 11221 OH2 TIP3A2474 -29.594 -8.002 -15.737 1.00 0.00 WATA O ATOM 11222 H1 TIP3A2474 -30.250 -7.513 -15.162 1.00 0.00 WATA H ATOM 11223 H2 TIP3A2474 -29.940 -8.920 -15.931 1.00 0.00 WATA H ATOM 11224 OH2 TIP3A2475 26.869 6.106 48.546 1.00 0.00 WATA O ATOM 11225 H1 TIP3A2475 27.743 5.683 48.306 1.00 0.00 WATA H ATOM 11226 H2 TIP3A2475 26.186 5.394 48.702 1.00 0.00 WATA H ATOM 11227 OH2 TIP3A2476 -17.519 11.368 -41.109 1.00 0.00 WATA O ATOM 11228 H1 TIP3A2476 -18.033 12.224 -41.059 1.00 0.00 WATA H ATOM 11229 H2 TIP3A2476 -16.720 11.423 -40.510 1.00 0.00 WATA H ATOM 11230 OH2 TIP3A2477 50.773 -16.765 -50.741 1.00 0.00 WATA O ATOM 11231 H1 TIP3A2477 51.687 -16.847 -50.344 1.00 0.00 WATA H ATOM 11232 H2 TIP3A2477 50.668 -17.434 -51.476 1.00 0.00 WATA H ATOM 11233 OH2 TIP3A2478 4.609 46.475 -50.452 1.00 0.00 WATA O ATOM 11234 H1 TIP3A2478 5.180 47.085 -49.902 1.00 0.00 WATA H ATOM 11235 H2 TIP3A2478 4.612 45.561 -50.047 1.00 0.00 WATA H ATOM 11236 OH2 TIP3A2479 -51.778 -20.498 -47.456 1.00 0.00 WATA O ATOM 11237 H1 TIP3A2479 -51.704 -20.256 -48.423 1.00 0.00 WATA H ATOM 11238 H2 TIP3A2479 -52.605 -20.089 -47.072 1.00 0.00 WATA H ATOM 11239 OH2 TIP3A2480 4.996 -12.798 52.474 1.00 0.00 WATA O ATOM 11240 H1 TIP3A2480 5.528 -13.326 53.136 1.00 0.00 WATA H ATOM 11241 H2 TIP3A2480 4.414 -13.415 51.945 1.00 0.00 WATA H ATOM 11242 OH2 TIP3A2481 37.153 -11.555 52.306 1.00 0.00 WATA O ATOM 11243 H1 TIP3A2481 36.915 -11.731 51.350 1.00 0.00 WATA H ATOM 11244 H2 TIP3A2481 38.093 -11.852 52.475 1.00 0.00 WATA H ATOM 11245 OH2 TIP3A2482 -52.421 -6.313 -23.950 1.00 0.00 WATA O ATOM 11246 H1 TIP3A2482 -51.467 -6.142 -24.197 1.00 0.00 WATA H ATOM 11247 H2 TIP3A2482 -52.903 -6.706 -24.733 1.00 0.00 WATA H ATOM 11248 OH2 TIP3A2483 26.579 -26.611 48.038 1.00 0.00 WATA O ATOM 11249 H1 TIP3A2483 27.433 -26.289 47.629 1.00 0.00 WATA H ATOM 11250 H2 TIP3A2483 25.886 -26.719 47.326 1.00 0.00 WATA H ATOM 11251 OH2 TIP3A2484 11.652 -40.877 -21.756 1.00 0.00 WATA O ATOM 11252 H1 TIP3A2484 11.993 -41.027 -22.684 1.00 0.00 WATA H ATOM 11253 H2 TIP3A2484 10.673 -41.074 -21.724 1.00 0.00 WATA H ATOM 11254 OH2 TIP3A2485 -22.766 -39.661 8.543 1.00 0.00 WATA O ATOM 11255 H1 TIP3A2485 -22.499 -40.461 8.005 1.00 0.00 WATA H ATOM 11256 H2 TIP3A2485 -23.713 -39.763 8.845 1.00 0.00 WATA H ATOM 11257 OH2 TIP3A2486 44.684 -40.811 49.015 1.00 0.00 WATA O ATOM 11258 H1 TIP3A2486 44.571 -41.759 49.313 1.00 0.00 WATA H ATOM 11259 H2 TIP3A2486 44.058 -40.223 49.526 1.00 0.00 WATA H ATOM 11260 OH2 TIP3A2487 -12.840 -9.316 -43.329 1.00 0.00 WATA O ATOM 11261 H1 TIP3A2487 -12.861 -9.419 -42.334 1.00 0.00 WATA H ATOM 11262 H2 TIP3A2487 -13.572 -8.698 -43.615 1.00 0.00 WATA H ATOM 11263 OH2 TIP3A2488 -23.571 -42.026 10.256 1.00 0.00 WATA O ATOM 11264 H1 TIP3A2488 -24.040 -42.909 10.251 1.00 0.00 WATA H ATOM 11265 H2 TIP3A2488 -24.243 -41.291 10.339 1.00 0.00 WATA H ATOM 11266 OH2 TIP3A2489 -38.577 -41.817 25.816 1.00 0.00 WATA O ATOM 11267 H1 TIP3A2489 -38.857 -40.983 25.339 1.00 0.00 WATA H ATOM 11268 H2 TIP3A2489 -39.074 -42.599 25.440 1.00 0.00 WATA H ATOM 11269 OH2 TIP3A2490 -22.682 -0.414 -49.823 1.00 0.00 WATA O ATOM 11270 H1 TIP3A2490 -22.423 -1.339 -50.103 1.00 0.00 WATA H ATOM 11271 H2 TIP3A2490 -23.503 -0.133 -50.319 1.00 0.00 WATA H ATOM 11272 OH2 TIP3A2491 39.581 -40.757 49.057 1.00 0.00 WATA O ATOM 11273 H1 TIP3A2491 40.138 -41.581 48.949 1.00 0.00 WATA H ATOM 11274 H2 TIP3A2491 38.645 -41.015 49.294 1.00 0.00 WATA H ATOM 11275 OH2 TIP3A2492 -7.599 -29.000 -16.221 1.00 0.00 WATA O ATOM 11276 H1 TIP3A2492 -7.733 -29.990 -16.272 1.00 0.00 WATA H ATOM 11277 H2 TIP3A2492 -8.488 -28.545 -16.171 1.00 0.00 WATA H ATOM 11278 OH2 TIP3A2493 -35.665 -14.893 -10.337 1.00 0.00 WATA O ATOM 11279 H1 TIP3A2493 -35.009 -15.221 -9.657 1.00 0.00 WATA H ATOM 11280 H2 TIP3A2493 -35.946 -13.961 -10.108 1.00 0.00 WATA H ATOM 11281 OH2 TIP3A2494 27.446 11.389 19.379 1.00 0.00 WATA O ATOM 11282 H1 TIP3A2494 27.946 10.807 18.738 1.00 0.00 WATA H ATOM 11283 H2 TIP3A2494 28.094 11.911 19.932 1.00 0.00 WATA H ATOM 11284 OH2 TIP3A2495 22.859 -31.797 -27.076 1.00 0.00 WATA O ATOM 11285 H1 TIP3A2495 23.212 -30.863 -27.025 1.00 0.00 WATA H ATOM 11286 H2 TIP3A2495 22.083 -31.894 -26.453 1.00 0.00 WATA H ATOM 11287 OH2 TIP3A2496 -36.242 -4.417 -32.731 1.00 0.00 WATA O ATOM 11288 H1 TIP3A2496 -37.114 -4.907 -32.719 1.00 0.00 WATA H ATOM 11289 H2 TIP3A2496 -35.490 -5.073 -32.672 1.00 0.00 WATA H ATOM 11290 OH2 TIP3A2497 7.473 -29.906 14.911 1.00 0.00 WATA O ATOM 11291 H1 TIP3A2497 6.691 -29.293 14.801 1.00 0.00 WATA H ATOM 11292 H2 TIP3A2497 7.325 -30.737 14.375 1.00 0.00 WATA H ATOM 11293 OH2 TIP3A2498 -35.994 42.784 -27.517 1.00 0.00 WATA O ATOM 11294 H1 TIP3A2498 -35.266 43.405 -27.807 1.00 0.00 WATA H ATOM 11295 H2 TIP3A2498 -35.600 41.899 -27.272 1.00 0.00 WATA H ATOM 11296 OH2 TIP3A2499 -36.147 -6.713 4.736 1.00 0.00 WATA O ATOM 11297 H1 TIP3A2499 -36.209 -7.668 4.444 1.00 0.00 WATA H ATOM 11298 H2 TIP3A2499 -36.144 -6.668 5.734 1.00 0.00 WATA H ATOM 11299 OH2 TIP3A2500 39.038 35.442 2.146 1.00 0.00 WATA O ATOM 11300 H1 TIP3A2500 39.465 34.569 1.907 1.00 0.00 WATA H ATOM 11301 H2 TIP3A2500 38.169 35.272 2.609 1.00 0.00 WATA H ATOM 11302 OH2 TIP3A2501 -53.218 -35.365 -35.314 1.00 0.00 WATA O ATOM 11303 H1 TIP3A2501 -53.227 -34.396 -35.066 1.00 0.00 WATA H ATOM 11304 H2 TIP3A2501 -52.274 -35.682 -35.387 1.00 0.00 WATA H ATOM 11305 OH2 TIP3A2502 48.676 21.607 25.248 1.00 0.00 WATA O ATOM 11306 H1 TIP3A2502 47.864 22.008 24.824 1.00 0.00 WATA H ATOM 11307 H2 TIP3A2502 48.749 21.922 26.193 1.00 0.00 WATA H ATOM 11308 OH2 TIP3A2503 12.445 22.618 -36.927 1.00 0.00 WATA O ATOM 11309 H1 TIP3A2503 12.534 21.715 -37.347 1.00 0.00 WATA H ATOM 11310 H2 TIP3A2503 12.763 23.316 -37.567 1.00 0.00 WATA H ATOM 11311 OH2 TIP3A2504 -51.127 49.046 -8.194 1.00 0.00 WATA O ATOM 11312 H1 TIP3A2504 -50.136 49.102 -8.075 1.00 0.00 WATA H ATOM 11313 H2 TIP3A2504 -51.582 49.499 -7.428 1.00 0.00 WATA H ATOM 11314 OH2 TIP3A2505 -8.700 48.986 30.403 1.00 0.00 WATA O ATOM 11315 H1 TIP3A2505 -8.200 48.416 31.056 1.00 0.00 WATA H ATOM 11316 H2 TIP3A2505 -8.079 49.290 29.682 1.00 0.00 WATA H ATOM 11317 OH2 TIP3A2506 48.988 -47.591 -36.818 1.00 0.00 WATA O ATOM 11318 H1 TIP3A2506 49.270 -46.646 -36.650 1.00 0.00 WATA H ATOM 11319 H2 TIP3A2506 48.216 -47.819 -36.226 1.00 0.00 WATA H ATOM 11320 OH2 TIP3A2507 29.398 -30.927 47.827 1.00 0.00 WATA O ATOM 11321 H1 TIP3A2507 28.817 -30.646 48.591 1.00 0.00 WATA H ATOM 11322 H2 TIP3A2507 29.691 -30.119 47.317 1.00 0.00 WATA H ATOM 11323 OH2 TIP3A2508 44.690 25.289 -49.383 1.00 0.00 WATA O ATOM 11324 H1 TIP3A2508 44.519 24.889 -48.482 1.00 0.00 WATA H ATOM 11325 H2 TIP3A2508 45.021 26.226 -49.275 1.00 0.00 WATA H ATOM 11326 OH2 TIP3A2509 1.340 -40.992 -10.718 1.00 0.00 WATA O ATOM 11327 H1 TIP3A2509 2.051 -40.743 -10.059 1.00 0.00 WATA H ATOM 11328 H2 TIP3A2509 0.805 -40.181 -10.953 1.00 0.00 WATA H ATOM 11329 OH2 TIP3A2510 43.753 -43.330 36.128 1.00 0.00 WATA O ATOM 11330 H1 TIP3A2510 43.557 -43.486 37.096 1.00 0.00 WATA H ATOM 11331 H2 TIP3A2510 44.546 -42.729 36.041 1.00 0.00 WATA H ATOM 11332 OH2 TIP3A2511 13.363 33.239 -11.755 1.00 0.00 WATA O ATOM 11333 H1 TIP3A2511 14.071 33.921 -11.570 1.00 0.00 WATA H ATOM 11334 H2 TIP3A2511 13.447 32.486 -11.104 1.00 0.00 WATA H ATOM 11335 OH2 TIP3A2512 -28.656 -26.751 0.710 1.00 0.00 WATA O ATOM 11336 H1 TIP3A2512 -28.752 -27.733 0.547 1.00 0.00 WATA H ATOM 11337 H2 TIP3A2512 -27.802 -26.575 1.197 1.00 0.00 WATA H ATOM 11338 OH2 TIP3A2513 -6.428 38.795 21.605 1.00 0.00 WATA O ATOM 11339 H1 TIP3A2513 -6.189 39.382 20.831 1.00 0.00 WATA H ATOM 11340 H2 TIP3A2513 -6.320 39.306 22.457 1.00 0.00 WATA H ATOM 11341 OH2 TIP3A2514 34.745 32.970 -2.769 1.00 0.00 WATA O ATOM 11342 H1 TIP3A2514 34.612 33.580 -3.550 1.00 0.00 WATA H ATOM 11343 H2 TIP3A2514 33.855 32.681 -2.416 1.00 0.00 WATA H ATOM 11344 OH2 TIP3A2515 43.477 20.575 -0.905 1.00 0.00 WATA O ATOM 11345 H1 TIP3A2515 44.338 21.082 -0.958 1.00 0.00 WATA H ATOM 11346 H2 TIP3A2515 43.576 19.700 -1.379 1.00 0.00 WATA H ATOM 11347 OH2 TIP3A2516 1.569 -43.152 -43.147 1.00 0.00 WATA O ATOM 11348 H1 TIP3A2516 1.405 -42.584 -42.340 1.00 0.00 WATA H ATOM 11349 H2 TIP3A2516 2.371 -42.811 -43.637 1.00 0.00 WATA H ATOM 11350 OH2 TIP3A2517 -11.262 -28.006 4.784 1.00 0.00 WATA O ATOM 11351 H1 TIP3A2517 -10.802 -27.123 4.690 1.00 0.00 WATA H ATOM 11352 H2 TIP3A2517 -12.243 -27.889 4.629 1.00 0.00 WATA H ATOM 11353 OH2 TIP3A2518 -7.063 44.530 40.406 1.00 0.00 WATA O ATOM 11354 H1 TIP3A2518 -6.624 45.000 41.173 1.00 0.00 WATA H ATOM 11355 H2 TIP3A2518 -8.052 44.516 40.546 1.00 0.00 WATA H ATOM 11356 OH2 TIP3A2519 48.490 33.861 6.648 1.00 0.00 WATA O ATOM 11357 H1 TIP3A2519 47.806 33.534 7.300 1.00 0.00 WATA H ATOM 11358 H2 TIP3A2519 48.264 33.529 5.733 1.00 0.00 WATA H ATOM 11359 OH2 TIP3A2520 37.748 -31.332 0.318 1.00 0.00 WATA O ATOM 11360 H1 TIP3A2520 37.166 -30.686 -0.177 1.00 0.00 WATA H ATOM 11361 H2 TIP3A2520 37.535 -31.293 1.294 1.00 0.00 WATA H ATOM 11362 OH2 TIP3A2521 -43.177 -2.117 -19.589 1.00 0.00 WATA O ATOM 11363 H1 TIP3A2521 -43.274 -1.123 -19.526 1.00 0.00 WATA H ATOM 11364 H2 TIP3A2521 -42.229 -2.372 -19.401 1.00 0.00 WATA H ATOM 11365 OH2 TIP3A2522 -15.367 11.415 -28.394 1.00 0.00 WATA O ATOM 11366 H1 TIP3A2522 -15.605 12.387 -28.398 1.00 0.00 WATA H ATOM 11367 H2 TIP3A2522 -14.447 11.296 -28.766 1.00 0.00 WATA H ATOM 11368 OH2 TIP3A2523 -33.073 17.981 -21.246 1.00 0.00 WATA O ATOM 11369 H1 TIP3A2523 -32.397 17.265 -21.423 1.00 0.00 WATA H ATOM 11370 H2 TIP3A2523 -33.990 17.582 -21.250 1.00 0.00 WATA H ATOM 11371 OH2 TIP3A2524 -46.349 42.854 12.547 1.00 0.00 WATA O ATOM 11372 H1 TIP3A2524 -46.277 42.256 11.748 1.00 0.00 WATA H ATOM 11373 H2 TIP3A2524 -47.310 43.071 12.715 1.00 0.00 WATA H ATOM 11374 OH2 TIP3A2525 -30.494 49.284 4.304 1.00 0.00 WATA O ATOM 11375 H1 TIP3A2525 -31.315 48.952 4.769 1.00 0.00 WATA H ATOM 11376 H2 TIP3A2525 -30.725 50.084 3.751 1.00 0.00 WATA H ATOM 11377 OH2 TIP3A2526 32.925 7.449 -33.263 1.00 0.00 WATA O ATOM 11378 H1 TIP3A2526 33.779 7.968 -33.222 1.00 0.00 WATA H ATOM 11379 H2 TIP3A2526 33.128 6.482 -33.408 1.00 0.00 WATA H ATOM 11380 OH2 TIP3A2527 -40.214 17.099 10.794 1.00 0.00 WATA O ATOM 11381 H1 TIP3A2527 -40.478 16.151 10.617 1.00 0.00 WATA H ATOM 11382 H2 TIP3A2527 -41.009 17.694 10.678 1.00 0.00 WATA H ATOM 11383 OH2 TIP3A2528 43.979 38.940 15.233 1.00 0.00 WATA O ATOM 11384 H1 TIP3A2528 44.941 38.668 15.277 1.00 0.00 WATA H ATOM 11385 H2 TIP3A2528 43.917 39.936 15.174 1.00 0.00 WATA H ATOM 11386 OH2 TIP3A2529 -46.547 36.006 -5.806 1.00 0.00 WATA O ATOM 11387 H1 TIP3A2529 -46.569 35.048 -6.093 1.00 0.00 WATA H ATOM 11388 H2 TIP3A2529 -45.604 36.337 -5.825 1.00 0.00 WATA H ATOM 11389 OH2 TIP3A2530 -15.376 -26.770 -27.906 1.00 0.00 WATA O ATOM 11390 H1 TIP3A2530 -14.915 -26.913 -27.031 1.00 0.00 WATA H ATOM 11391 H2 TIP3A2530 -16.044 -26.032 -27.815 1.00 0.00 WATA H ATOM 11392 OH2 TIP3A2531 -49.345 34.987 29.289 1.00 0.00 WATA O ATOM 11393 H1 TIP3A2531 -49.770 34.228 28.795 1.00 0.00 WATA H ATOM 11394 H2 TIP3A2531 -48.353 34.947 29.173 1.00 0.00 WATA H ATOM 11395 OH2 TIP3A2532 16.110 23.383 21.329 1.00 0.00 WATA O ATOM 11396 H1 TIP3A2532 16.343 22.426 21.506 1.00 0.00 WATA H ATOM 11397 H2 TIP3A2532 16.870 23.968 21.610 1.00 0.00 WATA H ATOM 11398 OH2 TIP3A2533 28.231 -31.566 -0.115 1.00 0.00 WATA O ATOM 11399 H1 TIP3A2533 29.111 -32.039 -0.164 1.00 0.00 WATA H ATOM 11400 H2 TIP3A2533 28.055 -31.285 0.827 1.00 0.00 WATA H ATOM 11401 OH2 TIP3A2534 44.411 -27.033 40.254 1.00 0.00 WATA O ATOM 11402 H1 TIP3A2534 44.730 -26.166 40.638 1.00 0.00 WATA H ATOM 11403 H2 TIP3A2534 43.443 -27.158 40.471 1.00 0.00 WATA H ATOM 11404 OH2 TIP3A2535 11.586 -10.685 -27.633 1.00 0.00 WATA O ATOM 11405 H1 TIP3A2535 12.502 -10.389 -27.360 1.00 0.00 WATA H ATOM 11406 H2 TIP3A2535 11.502 -11.673 -27.503 1.00 0.00 WATA H ATOM 11407 OH2 TIP3A2536 -44.774 23.201 -52.115 1.00 0.00 WATA O ATOM 11408 H1 TIP3A2536 -45.101 22.300 -51.829 1.00 0.00 WATA H ATOM 11409 H2 TIP3A2536 -43.806 23.145 -52.354 1.00 0.00 WATA H ATOM 11410 OH2 TIP3A2537 40.615 -52.442 0.937 1.00 0.00 WATA O ATOM 11411 H1 TIP3A2537 41.158 -52.809 0.182 1.00 0.00 WATA H ATOM 11412 H2 TIP3A2537 40.991 -51.560 1.220 1.00 0.00 WATA H ATOM 11413 OH2 TIP3A2538 34.766 -22.507 -4.644 1.00 0.00 WATA O ATOM 11414 H1 TIP3A2538 34.538 -22.184 -5.563 1.00 0.00 WATA H ATOM 11415 H2 TIP3A2538 34.318 -23.385 -4.478 1.00 0.00 WATA H ATOM 11416 OH2 TIP3A2539 2.355 34.233 16.545 1.00 0.00 WATA O ATOM 11417 H1 TIP3A2539 1.988 33.902 15.676 1.00 0.00 WATA H ATOM 11418 H2 TIP3A2539 3.306 33.941 16.639 1.00 0.00 WATA H ATOM 11419 OH2 TIP3A2540 -19.837 6.625 -50.078 1.00 0.00 WATA O ATOM 11420 H1 TIP3A2540 -20.312 7.322 -49.540 1.00 0.00 WATA H ATOM 11421 H2 TIP3A2540 -19.082 7.046 -50.578 1.00 0.00 WATA H ATOM 11422 OH2 TIP3A2541 -28.606 15.047 37.388 1.00 0.00 WATA O ATOM 11423 H1 TIP3A2541 -28.822 15.923 37.820 1.00 0.00 WATA H ATOM 11424 H2 TIP3A2541 -28.260 15.208 36.464 1.00 0.00 WATA H ATOM 11425 OH2 TIP3A2542 14.242 23.173 47.049 1.00 0.00 WATA O ATOM 11426 H1 TIP3A2542 15.077 23.253 47.593 1.00 0.00 WATA H ATOM 11427 H2 TIP3A2542 13.955 24.080 46.743 1.00 0.00 WATA H ATOM 11428 OH2 TIP3A2543 25.894 -48.064 0.336 1.00 0.00 WATA O ATOM 11429 H1 TIP3A2543 25.572 -48.381 1.229 1.00 0.00 WATA H ATOM 11430 H2 TIP3A2543 25.111 -47.916 -0.267 1.00 0.00 WATA H ATOM 11431 OH2 TIP3A2544 10.955 48.655 -36.574 1.00 0.00 WATA O ATOM 11432 H1 TIP3A2544 11.331 48.268 -37.416 1.00 0.00 WATA H ATOM 11433 H2 TIP3A2544 10.501 49.522 -36.780 1.00 0.00 WATA H ATOM 11434 OH2 TIP3A2545 19.267 50.583 -33.604 1.00 0.00 WATA O ATOM 11435 H1 TIP3A2545 20.252 50.424 -33.675 1.00 0.00 WATA H ATOM 11436 H2 TIP3A2545 18.775 49.826 -34.031 1.00 0.00 WATA H ATOM 11437 OH2 TIP3A2546 27.635 -49.886 36.928 1.00 0.00 WATA O ATOM 11438 H1 TIP3A2546 28.486 -49.362 36.878 1.00 0.00 WATA H ATOM 11439 H2 TIP3A2546 27.845 -50.862 36.954 1.00 0.00 WATA H ATOM 11440 OH2 TIP3A2547 27.347 -49.872 11.328 1.00 0.00 WATA O ATOM 11441 H1 TIP3A2547 26.505 -49.355 11.484 1.00 0.00 WATA H ATOM 11442 H2 TIP3A2547 27.501 -50.497 12.092 1.00 0.00 WATA H ATOM 11443 OH2 TIP3A2548 -17.297 1.113 -46.854 1.00 0.00 WATA O ATOM 11444 H1 TIP3A2548 -17.214 2.022 -47.263 1.00 0.00 WATA H ATOM 11445 H2 TIP3A2548 -17.233 0.418 -47.569 1.00 0.00 WATA H ATOM 11446 OH2 TIP3A2549 26.271 15.924 -49.449 1.00 0.00 WATA O ATOM 11447 H1 TIP3A2549 25.752 16.779 -49.439 1.00 0.00 WATA H ATOM 11448 H2 TIP3A2549 27.249 16.128 -49.437 1.00 0.00 WATA H ATOM 11449 OH2 TIP3A2550 13.542 50.938 34.661 1.00 0.00 WATA O ATOM 11450 H1 TIP3A2550 13.578 51.895 34.951 1.00 0.00 WATA H ATOM 11451 H2 TIP3A2550 13.492 50.348 35.466 1.00 0.00 WATA H ATOM 11452 OH2 TIP3A2551 9.083 23.289 20.636 1.00 0.00 WATA O ATOM 11453 H1 TIP3A2551 9.342 22.385 20.977 1.00 0.00 WATA H ATOM 11454 H2 TIP3A2551 9.874 23.723 20.207 1.00 0.00 WATA H ATOM 11455 OH2 TIP3A2552 -47.354 18.857 43.871 1.00 0.00 WATA O ATOM 11456 H1 TIP3A2552 -48.010 18.129 44.072 1.00 0.00 WATA H ATOM 11457 H2 TIP3A2552 -46.550 18.468 43.424 1.00 0.00 WATA H ATOM 11458 OH2 TIP3A2553 36.294 25.147 -47.281 1.00 0.00 WATA O ATOM 11459 H1 TIP3A2553 35.857 25.950 -47.687 1.00 0.00 WATA H ATOM 11460 H2 TIP3A2553 35.794 24.324 -47.548 1.00 0.00 WATA H ATOM 11461 OH2 TIP3A2554 -32.434 45.557 6.419 1.00 0.00 WATA O ATOM 11462 H1 TIP3A2554 -31.479 45.664 6.699 1.00 0.00 WATA H ATOM 11463 H2 TIP3A2554 -32.505 45.661 5.428 1.00 0.00 WATA H ATOM 11464 OH2 TIP3A2555 -44.271 19.482 -10.682 1.00 0.00 WATA O ATOM 11465 H1 TIP3A2555 -44.670 20.330 -11.032 1.00 0.00 WATA H ATOM 11466 H2 TIP3A2555 -44.332 18.771 -11.382 1.00 0.00 WATA H ATOM 11467 OH2 TIP3A2556 5.997 -33.145 12.764 1.00 0.00 WATA O ATOM 11468 H1 TIP3A2556 6.111 -32.291 13.272 1.00 0.00 WATA H ATOM 11469 H2 TIP3A2556 6.778 -33.279 12.155 1.00 0.00 WATA H ATOM 11470 OH2 TIP3A2557 14.308 46.239 17.333 1.00 0.00 WATA O ATOM 11471 H1 TIP3A2557 13.520 46.413 17.923 1.00 0.00 WATA H ATOM 11472 H2 TIP3A2557 14.245 46.809 16.515 1.00 0.00 WATA H ATOM 11473 OH2 TIP3A2558 52.427 -29.947 5.528 1.00 0.00 WATA O ATOM 11474 H1 TIP3A2558 53.228 -29.359 5.646 1.00 0.00 WATA H ATOM 11475 H2 TIP3A2558 51.605 -29.383 5.470 1.00 0.00 WATA H ATOM 11476 OH2 TIP3A2559 -4.785 -48.538 -38.964 1.00 0.00 WATA O ATOM 11477 H1 TIP3A2559 -5.105 -48.564 -38.016 1.00 0.00 WATA H ATOM 11478 H2 TIP3A2559 -4.576 -47.595 -39.219 1.00 0.00 WATA H ATOM 11479 OH2 TIP3A2560 16.439 -46.250 3.645 1.00 0.00 WATA O ATOM 11480 H1 TIP3A2560 15.593 -46.783 3.677 1.00 0.00 WATA H ATOM 11481 H2 TIP3A2560 16.233 -45.316 3.356 1.00 0.00 WATA H ATOM 11482 OH2 TIP3A2561 1.757 36.892 21.473 1.00 0.00 WATA O ATOM 11483 H1 TIP3A2561 1.634 36.499 20.562 1.00 0.00 WATA H ATOM 11484 H2 TIP3A2561 1.100 36.481 22.105 1.00 0.00 WATA H ATOM 11485 OH2 TIP3A2562 17.428 21.002 27.897 1.00 0.00 WATA O ATOM 11486 H1 TIP3A2562 17.939 21.859 27.825 1.00 0.00 WATA H ATOM 11487 H2 TIP3A2562 18.067 20.233 27.906 1.00 0.00 WATA H ATOM 11488 OH2 TIP3A2563 -33.090 -49.747 39.160 1.00 0.00 WATA O ATOM 11489 H1 TIP3A2563 -34.089 -49.779 39.127 1.00 0.00 WATA H ATOM 11490 H2 TIP3A2563 -32.792 -48.814 39.360 1.00 0.00 WATA H ATOM 11491 OH2 TIP3A2564 -15.969 -43.724 -35.692 1.00 0.00 WATA O ATOM 11492 H1 TIP3A2564 -15.209 -43.512 -36.307 1.00 0.00 WATA H ATOM 11493 H2 TIP3A2564 -16.317 -42.879 -35.288 1.00 0.00 WATA H ATOM 11494 OH2 TIP3A2565 27.243 -23.518 20.456 1.00 0.00 WATA O ATOM 11495 H1 TIP3A2565 26.353 -23.200 20.128 1.00 0.00 WATA H ATOM 11496 H2 TIP3A2565 27.931 -23.376 19.745 1.00 0.00 WATA H ATOM 11497 OH2 TIP3A2566 -6.898 -36.533 -33.727 1.00 0.00 WATA O ATOM 11498 H1 TIP3A2566 -6.038 -36.464 -33.220 1.00 0.00 WATA H ATOM 11499 H2 TIP3A2566 -7.261 -37.460 -33.644 1.00 0.00 WATA H ATOM 11500 OH2 TIP3A2567 -43.462 -22.720 -2.146 1.00 0.00 WATA O ATOM 11501 H1 TIP3A2567 -43.215 -21.839 -1.741 1.00 0.00 WATA H ATOM 11502 H2 TIP3A2567 -44.078 -22.570 -2.920 1.00 0.00 WATA H ATOM 11503 OH2 TIP3A2568 20.481 17.120 42.541 1.00 0.00 WATA O ATOM 11504 H1 TIP3A2568 21.024 17.694 41.928 1.00 0.00 WATA H ATOM 11505 H2 TIP3A2568 20.937 17.055 43.428 1.00 0.00 WATA H ATOM 11506 OH2 TIP3A2569 2.988 48.328 -19.739 1.00 0.00 WATA O ATOM 11507 H1 TIP3A2569 2.041 48.649 -19.752 1.00 0.00 WATA H ATOM 11508 H2 TIP3A2569 3.056 47.514 -19.162 1.00 0.00 WATA H ATOM 11509 OH2 TIP3A2570 -4.140 47.506 35.851 1.00 0.00 WATA O ATOM 11510 H1 TIP3A2570 -4.758 47.245 35.109 1.00 0.00 WATA H ATOM 11511 H2 TIP3A2570 -4.156 48.498 35.966 1.00 0.00 WATA H ATOM 11512 OH2 TIP3A2571 21.449 -11.701 25.783 1.00 0.00 WATA O ATOM 11513 H1 TIP3A2571 20.997 -12.573 25.968 1.00 0.00 WATA H ATOM 11514 H2 TIP3A2571 21.978 -11.771 24.937 1.00 0.00 WATA H ATOM 11515 OH2 TIP3A2572 -24.369 15.368 -19.324 1.00 0.00 WATA O ATOM 11516 H1 TIP3A2572 -25.356 15.355 -19.486 1.00 0.00 WATA H ATOM 11517 H2 TIP3A2572 -24.156 16.041 -18.617 1.00 0.00 WATA H ATOM 11518 OH2 TIP3A2573 -46.424 47.631 -26.247 1.00 0.00 WATA O ATOM 11519 H1 TIP3A2573 -46.698 47.459 -25.301 1.00 0.00 WATA H ATOM 11520 H2 TIP3A2573 -46.536 46.796 -26.784 1.00 0.00 WATA H ATOM 11521 OH2 TIP3A2574 -23.595 40.442 5.844 1.00 0.00 WATA O ATOM 11522 H1 TIP3A2574 -24.595 40.450 5.813 1.00 0.00 WATA H ATOM 11523 H2 TIP3A2574 -23.277 41.112 6.515 1.00 0.00 WATA H ATOM 11524 OH2 TIP3A2575 33.976 7.535 17.958 1.00 0.00 WATA O ATOM 11525 H1 TIP3A2575 34.715 8.061 18.381 1.00 0.00 WATA H ATOM 11526 H2 TIP3A2575 33.340 7.227 18.665 1.00 0.00 WATA H ATOM 11527 OH2 TIP3A2576 -41.396 -19.072 21.850 1.00 0.00 WATA O ATOM 11528 H1 TIP3A2576 -41.528 -18.081 21.861 1.00 0.00 WATA H ATOM 11529 H2 TIP3A2576 -40.418 -19.278 21.845 1.00 0.00 WATA H ATOM 11530 OH2 TIP3A2577 -2.720 30.401 48.944 1.00 0.00 WATA O ATOM 11531 H1 TIP3A2577 -1.758 30.353 49.213 1.00 0.00 WATA H ATOM 11532 H2 TIP3A2577 -3.298 30.270 49.749 1.00 0.00 WATA H ATOM 11533 OH2 TIP3A2578 -4.381 -37.975 -45.929 1.00 0.00 WATA O ATOM 11534 H1 TIP3A2578 -4.087 -38.327 -45.040 1.00 0.00 WATA H ATOM 11535 H2 TIP3A2578 -3.643 -37.438 -46.336 1.00 0.00 WATA H ATOM 11536 OH2 TIP3A2579 12.215 -16.008 -33.417 1.00 0.00 WATA O ATOM 11537 H1 TIP3A2579 12.641 -16.776 -33.897 1.00 0.00 WATA H ATOM 11538 H2 TIP3A2579 12.765 -15.767 -32.619 1.00 0.00 WATA H ATOM 11539 OH2 TIP3A2580 16.493 -2.895 -53.344 1.00 0.00 WATA O ATOM 11540 H1 TIP3A2580 15.616 -2.418 -53.288 1.00 0.00 WATA H ATOM 11541 H2 TIP3A2580 17.236 -2.249 -53.170 1.00 0.00 WATA H ATOM 11542 OH2 TIP3A2581 -34.695 -0.597 21.523 1.00 0.00 WATA O ATOM 11543 H1 TIP3A2581 -33.952 -0.384 22.157 1.00 0.00 WATA H ATOM 11544 H2 TIP3A2581 -34.476 -1.433 21.021 1.00 0.00 WATA H ATOM 11545 OH2 TIP3A2582 25.318 37.534 -24.051 1.00 0.00 WATA O ATOM 11546 H1 TIP3A2582 25.494 38.502 -23.869 1.00 0.00 WATA H ATOM 11547 H2 TIP3A2582 26.062 37.157 -24.602 1.00 0.00 WATA H ATOM 11548 OH2 TIP3A2583 -8.649 19.716 37.920 1.00 0.00 WATA O ATOM 11549 H1 TIP3A2583 -9.201 19.215 38.587 1.00 0.00 WATA H ATOM 11550 H2 TIP3A2583 -8.327 20.570 38.328 1.00 0.00 WATA H ATOM 11551 OH2 TIP3A2584 41.237 -9.888 48.748 1.00 0.00 WATA O ATOM 11552 H1 TIP3A2584 40.588 -10.618 48.960 1.00 0.00 WATA H ATOM 11553 H2 TIP3A2584 42.169 -10.245 48.798 1.00 0.00 WATA H ATOM 11554 OH2 TIP3A2585 52.376 33.583 42.647 1.00 0.00 WATA O ATOM 11555 H1 TIP3A2585 53.011 33.269 41.940 1.00 0.00 WATA H ATOM 11556 H2 TIP3A2585 51.439 33.526 42.304 1.00 0.00 WATA H ATOM 11557 OH2 TIP3A2586 -19.033 51.969 41.583 1.00 0.00 WATA O ATOM 11558 H1 TIP3A2586 -18.106 51.595 41.561 1.00 0.00 WATA H ATOM 11559 H2 TIP3A2586 -18.990 52.968 41.589 1.00 0.00 WATA H ATOM 11560 OH2 TIP3A2587 -5.034 -37.793 -50.205 1.00 0.00 WATA O ATOM 11561 H1 TIP3A2587 -4.253 -37.244 -50.504 1.00 0.00 WATA H ATOM 11562 H2 TIP3A2587 -4.838 -38.762 -50.353 1.00 0.00 WATA H ATOM 11563 OH2 TIP3A2588 3.671 -30.286 -25.402 1.00 0.00 WATA O ATOM 11564 H1 TIP3A2588 4.446 -29.681 -25.215 1.00 0.00 WATA H ATOM 11565 H2 TIP3A2588 2.817 -29.798 -25.225 1.00 0.00 WATA H ATOM 11566 OH2 TIP3A2589 -25.117 17.037 14.439 1.00 0.00 WATA O ATOM 11567 H1 TIP3A2589 -25.396 16.898 13.489 1.00 0.00 WATA H ATOM 11568 H2 TIP3A2589 -25.806 16.648 15.049 1.00 0.00 WATA H ATOM 11569 OH2 TIP3A2590 42.806 -2.120 9.779 1.00 0.00 WATA O ATOM 11570 H1 TIP3A2590 43.197 -2.080 8.859 1.00 0.00 WATA H ATOM 11571 H2 TIP3A2590 41.893 -1.714 9.772 1.00 0.00 WATA H ATOM 11572 OH2 TIP3A2591 49.236 -42.248 -12.256 1.00 0.00 WATA O ATOM 11573 H1 TIP3A2591 50.010 -42.158 -12.884 1.00 0.00 WATA H ATOM 11574 H2 TIP3A2591 49.343 -41.602 -11.500 1.00 0.00 WATA H ATOM 11575 OH2 TIP3A2592 52.837 -16.800 -45.110 1.00 0.00 WATA O ATOM 11576 H1 TIP3A2592 52.319 -16.904 -45.959 1.00 0.00 WATA H ATOM 11577 H2 TIP3A2592 52.237 -16.445 -44.394 1.00 0.00 WATA H ATOM 11578 OH2 TIP3A2593 20.071 -20.235 -19.957 1.00 0.00 WATA O ATOM 11579 H1 TIP3A2593 19.840 -21.209 -19.962 1.00 0.00 WATA H ATOM 11580 H2 TIP3A2593 21.063 -20.128 -19.903 1.00 0.00 WATA H ATOM 11581 OH2 TIP3A2594 -16.639 -21.853 -23.068 1.00 0.00 WATA O ATOM 11582 H1 TIP3A2594 -15.661 -21.990 -22.909 1.00 0.00 WATA H ATOM 11583 H2 TIP3A2594 -17.072 -22.733 -23.264 1.00 0.00 WATA H ATOM 11584 OH2 TIP3A2595 2.548 51.995 50.950 1.00 0.00 WATA O ATOM 11585 H1 TIP3A2595 3.202 51.520 51.539 1.00 0.00 WATA H ATOM 11586 H2 TIP3A2595 2.613 52.980 51.105 1.00 0.00 WATA H ATOM 11587 OH2 TIP3A2596 7.234 22.328 35.449 1.00 0.00 WATA O ATOM 11588 H1 TIP3A2596 6.683 21.563 35.117 1.00 0.00 WATA H ATOM 11589 H2 TIP3A2596 6.759 23.188 35.263 1.00 0.00 WATA H ATOM 11590 OH2 TIP3A2597 51.314 24.337 -28.503 1.00 0.00 WATA O ATOM 11591 H1 TIP3A2597 51.531 25.243 -28.139 1.00 0.00 WATA H ATOM 11592 H2 TIP3A2597 51.069 23.726 -27.752 1.00 0.00 WATA H ATOM 11593 OH2 TIP3A2598 -29.825 20.474 -41.880 1.00 0.00 WATA O ATOM 11594 H1 TIP3A2598 -29.347 19.603 -41.998 1.00 0.00 WATA H ATOM 11595 H2 TIP3A2598 -29.163 21.223 -41.903 1.00 0.00 WATA H ATOM 11596 OH2 TIP3A2599 -51.038 -0.324 -45.308 1.00 0.00 WATA O ATOM 11597 H1 TIP3A2599 -51.445 -1.104 -44.832 1.00 0.00 WATA H ATOM 11598 H2 TIP3A2599 -50.220 -0.623 -45.799 1.00 0.00 WATA H ATOM 11599 OH2 TIP3A2600 -0.964 -25.058 -21.404 1.00 0.00 WATA O ATOM 11600 H1 TIP3A2600 -0.520 -25.330 -22.258 1.00 0.00 WATA H ATOM 11601 H2 TIP3A2600 -0.735 -25.714 -20.685 1.00 0.00 WATA H ATOM 11602 OH2 TIP3A2601 -42.301 40.257 3.612 1.00 0.00 WATA O ATOM 11603 H1 TIP3A2601 -41.433 39.775 3.491 1.00 0.00 WATA H ATOM 11604 H2 TIP3A2601 -42.256 41.146 3.156 1.00 0.00 WATA H ATOM 11605 OH2 TIP3A2602 -44.550 7.662 -37.992 1.00 0.00 WATA O ATOM 11606 H1 TIP3A2602 -43.813 8.331 -38.082 1.00 0.00 WATA H ATOM 11607 H2 TIP3A2602 -44.162 6.742 -37.937 1.00 0.00 WATA H ATOM 11608 OH2 TIP3A2603 -26.046 29.761 -36.818 1.00 0.00 WATA O ATOM 11609 H1 TIP3A2603 -25.272 29.845 -37.446 1.00 0.00 WATA H ATOM 11610 H2 TIP3A2603 -25.708 29.636 -35.886 1.00 0.00 WATA H ATOM 11611 OH2 TIP3A2604 18.335 12.140 -34.978 1.00 0.00 WATA O ATOM 11612 H1 TIP3A2604 17.764 12.036 -34.164 1.00 0.00 WATA H ATOM 11613 H2 TIP3A2604 19.019 12.851 -34.818 1.00 0.00 WATA H ATOM 11614 OH2 TIP3A2605 40.894 -22.170 35.419 1.00 0.00 WATA O ATOM 11615 H1 TIP3A2605 41.585 -22.832 35.710 1.00 0.00 WATA H ATOM 11616 H2 TIP3A2605 40.950 -22.042 34.430 1.00 0.00 WATA H ATOM 11617 OH2 TIP3A2606 34.670 -10.982 -26.682 1.00 0.00 WATA O ATOM 11618 H1 TIP3A2606 35.493 -10.414 -26.668 1.00 0.00 WATA H ATOM 11619 H2 TIP3A2606 34.928 -11.945 -26.628 1.00 0.00 WATA H ATOM 11620 OH2 TIP3A2607 14.953 52.528 20.605 1.00 0.00 WATA O ATOM 11621 H1 TIP3A2607 15.386 53.345 20.986 1.00 0.00 WATA H ATOM 11622 H2 TIP3A2607 13.966 52.673 20.538 1.00 0.00 WATA H ATOM 11623 OH2 TIP3A2608 -43.998 -10.002 -19.043 1.00 0.00 WATA O ATOM 11624 H1 TIP3A2608 -43.860 -9.032 -19.241 1.00 0.00 WATA H ATOM 11625 H2 TIP3A2608 -44.391 -10.103 -18.130 1.00 0.00 WATA H ATOM 11626 OH2 TIP3A2609 -49.561 -39.847 -23.272 1.00 0.00 WATA O ATOM 11627 H1 TIP3A2609 -50.164 -39.261 -22.731 1.00 0.00 WATA H ATOM 11628 H2 TIP3A2609 -48.639 -39.823 -22.888 1.00 0.00 WATA H ATOM 11629 OH2 TIP3A2610 32.481 -14.941 34.057 1.00 0.00 WATA O ATOM 11630 H1 TIP3A2610 33.439 -14.723 34.242 1.00 0.00 WATA H ATOM 11631 H2 TIP3A2610 31.899 -14.205 34.399 1.00 0.00 WATA H ATOM 11632 OH2 TIP3A2611 43.018 -52.832 37.649 1.00 0.00 WATA O ATOM 11633 H1 TIP3A2611 43.522 -52.222 37.037 1.00 0.00 WATA H ATOM 11634 H2 TIP3A2611 43.560 -53.000 38.472 1.00 0.00 WATA H ATOM 11635 OH2 TIP3A2612 28.296 -38.172 38.397 1.00 0.00 WATA O ATOM 11636 H1 TIP3A2612 29.035 -37.593 38.053 1.00 0.00 WATA H ATOM 11637 H2 TIP3A2612 27.479 -37.617 38.549 1.00 0.00 WATA H ATOM 11638 OH2 TIP3A2613 -27.157 44.232 -1.861 1.00 0.00 WATA O ATOM 11639 H1 TIP3A2613 -26.550 43.971 -2.612 1.00 0.00 WATA H ATOM 11640 H2 TIP3A2613 -27.621 45.087 -2.088 1.00 0.00 WATA H ATOM 11641 OH2 TIP3A2614 24.442 20.814 42.138 1.00 0.00 WATA O ATOM 11642 H1 TIP3A2614 23.957 19.942 42.060 1.00 0.00 WATA H ATOM 11643 H2 TIP3A2614 25.426 20.646 42.175 1.00 0.00 WATA H ATOM 11644 OH2 TIP3A2615 -20.684 -8.062 -27.552 1.00 0.00 WATA O ATOM 11645 H1 TIP3A2615 -20.766 -8.971 -27.145 1.00 0.00 WATA H ATOM 11646 H2 TIP3A2615 -19.829 -8.002 -28.067 1.00 0.00 WATA H ATOM 11647 OH2 TIP3A2616 -45.841 36.657 -23.784 1.00 0.00 WATA O ATOM 11648 H1 TIP3A2616 -46.379 37.252 -24.382 1.00 0.00 WATA H ATOM 11649 H2 TIP3A2616 -45.166 37.204 -23.289 1.00 0.00 WATA H ATOM 11650 OH2 TIP3A2617 46.705 -48.984 -17.468 1.00 0.00 WATA O ATOM 11651 H1 TIP3A2617 46.916 -49.480 -16.626 1.00 0.00 WATA H ATOM 11652 H2 TIP3A2617 45.962 -48.338 -17.298 1.00 0.00 WATA H ATOM 11653 OH2 TIP3A2618 18.391 -49.083 40.798 1.00 0.00 WATA O ATOM 11654 H1 TIP3A2618 18.549 -48.860 41.760 1.00 0.00 WATA H ATOM 11655 H2 TIP3A2618 18.434 -50.073 40.674 1.00 0.00 WATA H ATOM 11656 OH2 TIP3A2619 28.132 37.069 22.064 1.00 0.00 WATA O ATOM 11657 H1 TIP3A2619 28.582 37.853 22.492 1.00 0.00 WATA H ATOM 11658 H2 TIP3A2619 27.191 37.311 21.832 1.00 0.00 WATA H ATOM 11659 OH2 TIP3A2620 19.754 47.523 -32.884 1.00 0.00 WATA O ATOM 11660 H1 TIP3A2620 19.193 47.052 -33.565 1.00 0.00 WATA H ATOM 11661 H2 TIP3A2620 20.565 46.975 -32.684 1.00 0.00 WATA H ATOM 11662 OH2 TIP3A2621 37.222 39.905 -49.652 1.00 0.00 WATA O ATOM 11663 H1 TIP3A2621 37.720 40.765 -49.768 1.00 0.00 WATA H ATOM 11664 H2 TIP3A2621 36.271 40.099 -49.415 1.00 0.00 WATA H ATOM 11665 OH2 TIP3A2622 -0.144 40.170 33.450 1.00 0.00 WATA O ATOM 11666 H1 TIP3A2622 -0.351 39.862 34.379 1.00 0.00 WATA H ATOM 11667 H2 TIP3A2622 -0.007 39.377 32.859 1.00 0.00 WATA H ATOM 11668 OH2 TIP3A2623 -37.246 -24.890 16.314 1.00 0.00 WATA O ATOM 11669 H1 TIP3A2623 -36.480 -25.308 15.825 1.00 0.00 WATA H ATOM 11670 H2 TIP3A2623 -38.041 -24.842 15.711 1.00 0.00 WATA H ATOM 11671 OH2 TIP3A2624 -12.897 -37.224 -13.715 1.00 0.00 WATA O ATOM 11672 H1 TIP3A2624 -12.684 -36.264 -13.533 1.00 0.00 WATA H ATOM 11673 H2 TIP3A2624 -12.370 -37.807 -13.097 1.00 0.00 WATA H ATOM 11674 OH2 TIP3A2625 -4.582 31.857 -3.534 1.00 0.00 WATA O ATOM 11675 H1 TIP3A2625 -4.924 31.690 -2.609 1.00 0.00 WATA H ATOM 11676 H2 TIP3A2625 -3.920 32.605 -3.515 1.00 0.00 WATA H ATOM 11677 OH2 TIP3A2626 -35.243 31.038 -40.396 1.00 0.00 WATA O ATOM 11678 H1 TIP3A2626 -34.450 31.204 -40.982 1.00 0.00 WATA H ATOM 11679 H2 TIP3A2626 -35.945 31.724 -40.583 1.00 0.00 WATA H ATOM 11680 OH2 TIP3A2627 34.549 20.113 -42.847 1.00 0.00 WATA O ATOM 11681 H1 TIP3A2627 34.930 19.188 -42.872 1.00 0.00 WATA H ATOM 11682 H2 TIP3A2627 33.552 20.061 -42.799 1.00 0.00 WATA H ATOM 11683 OH2 TIP3A2628 -14.224 -37.442 -38.658 1.00 0.00 WATA O ATOM 11684 H1 TIP3A2628 -13.917 -36.660 -38.115 1.00 0.00 WATA H ATOM 11685 H2 TIP3A2628 -13.458 -38.067 -38.806 1.00 0.00 WATA H ATOM 11686 OH2 TIP3A2629 -5.316 19.031 37.413 1.00 0.00 WATA O ATOM 11687 H1 TIP3A2629 -6.305 18.950 37.285 1.00 0.00 WATA H ATOM 11688 H2 TIP3A2629 -4.849 18.359 36.838 1.00 0.00 WATA H ATOM 11689 OH2 TIP3A2630 -6.509 -14.133 32.279 1.00 0.00 WATA O ATOM 11690 H1 TIP3A2630 -6.834 -14.393 33.188 1.00 0.00 WATA H ATOM 11691 H2 TIP3A2630 -5.553 -13.848 32.336 1.00 0.00 WATA H ATOM 11692 OH2 TIP3A2631 49.535 -0.981 -45.629 1.00 0.00 WATA O ATOM 11693 H1 TIP3A2631 49.686 -1.970 -45.641 1.00 0.00 WATA H ATOM 11694 H2 TIP3A2631 48.554 -0.793 -45.628 1.00 0.00 WATA H ATOM 11695 OH2 TIP3A2632 -6.202 -52.227 -46.635 1.00 0.00 WATA O ATOM 11696 H1 TIP3A2632 -6.776 -51.491 -46.994 1.00 0.00 WATA H ATOM 11697 H2 TIP3A2632 -5.587 -51.860 -45.937 1.00 0.00 WATA H ATOM 11698 OH2 TIP3A2633 1.750 -45.085 -14.511 1.00 0.00 WATA O ATOM 11699 H1 TIP3A2633 1.952 -44.130 -14.293 1.00 0.00 WATA H ATOM 11700 H2 TIP3A2633 0.819 -45.304 -14.220 1.00 0.00 WATA H ATOM 11701 OH2 TIP3A2634 -21.563 8.908 -46.578 1.00 0.00 WATA O ATOM 11702 H1 TIP3A2634 -20.706 8.591 -46.172 1.00 0.00 WATA H ATOM 11703 H2 TIP3A2634 -21.980 9.595 -45.984 1.00 0.00 WATA H ATOM 11704 OH2 TIP3A2635 -3.393 -39.260 32.405 1.00 0.00 WATA O ATOM 11705 H1 TIP3A2635 -2.809 -38.572 31.974 1.00 0.00 WATA H ATOM 11706 H2 TIP3A2635 -4.334 -39.143 32.091 1.00 0.00 WATA H ATOM 11707 OH2 TIP3A2636 -43.433 -12.785 -36.378 1.00 0.00 WATA O ATOM 11708 H1 TIP3A2636 -43.355 -12.459 -35.436 1.00 0.00 WATA H ATOM 11709 H2 TIP3A2636 -44.157 -13.471 -36.435 1.00 0.00 WATA H ATOM 11710 OH2 TIP3A2637 19.284 17.054 -44.016 1.00 0.00 WATA O ATOM 11711 H1 TIP3A2637 19.268 16.096 -44.301 1.00 0.00 WATA H ATOM 11712 H2 TIP3A2637 20.196 17.287 -43.680 1.00 0.00 WATA H ATOM 11713 OH2 TIP3A2638 1.790 -45.126 41.825 1.00 0.00 WATA O ATOM 11714 H1 TIP3A2638 2.235 -45.594 41.062 1.00 0.00 WATA H ATOM 11715 H2 TIP3A2638 1.205 -44.396 41.473 1.00 0.00 WATA H ATOM 11716 OH2 TIP3A2639 48.786 -51.811 2.126 1.00 0.00 WATA O ATOM 11717 H1 TIP3A2639 48.232 -52.635 2.251 1.00 0.00 WATA H ATOM 11718 H2 TIP3A2639 48.325 -51.032 2.550 1.00 0.00 WATA H ATOM 11719 OH2 TIP3A2640 -52.405 8.646 17.797 1.00 0.00 WATA O ATOM 11720 H1 TIP3A2640 -51.949 7.869 17.363 1.00 0.00 WATA H ATOM 11721 H2 TIP3A2640 -53.345 8.710 17.463 1.00 0.00 WATA H ATOM 11722 OH2 TIP3A2641 -17.690 -9.260 29.721 1.00 0.00 WATA O ATOM 11723 H1 TIP3A2641 -18.452 -9.791 30.090 1.00 0.00 WATA H ATOM 11724 H2 TIP3A2641 -18.006 -8.342 29.485 1.00 0.00 WATA H ATOM 11725 OH2 TIP3A2642 4.234 32.720 -12.946 1.00 0.00 WATA O ATOM 11726 H1 TIP3A2642 3.817 33.629 -12.955 1.00 0.00 WATA H ATOM 11727 H2 TIP3A2642 3.518 32.024 -12.970 1.00 0.00 WATA H ATOM 11728 OH2 TIP3A2643 -39.436 -40.421 -2.372 1.00 0.00 WATA O ATOM 11729 H1 TIP3A2643 -39.339 -40.111 -1.426 1.00 0.00 WATA H ATOM 11730 H2 TIP3A2643 -40.286 -40.059 -2.756 1.00 0.00 WATA H ATOM 11731 OH2 TIP3A2644 -21.802 -6.115 9.407 1.00 0.00 WATA O ATOM 11732 H1 TIP3A2644 -21.090 -6.043 10.106 1.00 0.00 WATA H ATOM 11733 H2 TIP3A2644 -21.379 -6.167 8.504 1.00 0.00 WATA H ATOM 11734 OH2 TIP3A2645 25.073 -43.239 48.725 1.00 0.00 WATA O ATOM 11735 H1 TIP3A2645 24.178 -43.031 48.331 1.00 0.00 WATA H ATOM 11736 H2 TIP3A2645 25.761 -42.633 48.327 1.00 0.00 WATA H ATOM 11737 OH2 TIP3A2646 33.203 12.350 -26.259 1.00 0.00 WATA O ATOM 11738 H1 TIP3A2646 33.441 11.443 -26.607 1.00 0.00 WATA H ATOM 11739 H2 TIP3A2646 32.228 12.378 -26.040 1.00 0.00 WATA H ATOM 11740 OH2 TIP3A2647 -49.991 20.000 16.940 1.00 0.00 WATA O ATOM 11741 H1 TIP3A2647 -50.344 19.074 17.080 1.00 0.00 WATA H ATOM 11742 H2 TIP3A2647 -49.140 20.113 17.453 1.00 0.00 WATA H ATOM 11743 OH2 TIP3A2648 -49.718 -23.905 37.152 1.00 0.00 WATA O ATOM 11744 H1 TIP3A2648 -49.461 -24.176 38.081 1.00 0.00 WATA H ATOM 11745 H2 TIP3A2648 -49.718 -24.709 36.559 1.00 0.00 WATA H ATOM 11746 OH2 TIP3A2649 -33.839 -32.765 7.927 1.00 0.00 WATA O ATOM 11747 H1 TIP3A2649 -34.710 -33.256 7.910 1.00 0.00 WATA H ATOM 11748 H2 TIP3A2649 -34.006 -31.786 7.820 1.00 0.00 WATA H ATOM 11749 OH2 TIP3A2650 -19.561 -44.868 -30.359 1.00 0.00 WATA O ATOM 11750 H1 TIP3A2650 -20.001 -44.085 -29.918 1.00 0.00 WATA H ATOM 11751 H2 TIP3A2650 -18.663 -44.596 -30.703 1.00 0.00 WATA H ATOM 11752 OH2 TIP3A2651 0.976 47.751 41.416 1.00 0.00 WATA O ATOM 11753 H1 TIP3A2651 0.287 47.025 41.416 1.00 0.00 WATA H ATOM 11754 H2 TIP3A2651 0.528 48.635 41.543 1.00 0.00 WATA H ATOM 11755 OH2 TIP3A2652 -29.273 -7.592 16.062 1.00 0.00 WATA O ATOM 11756 H1 TIP3A2652 -30.232 -7.786 15.857 1.00 0.00 WATA H ATOM 11757 H2 TIP3A2652 -29.217 -6.824 16.700 1.00 0.00 WATA H ATOM 11758 OH2 TIP3A2653 31.931 -7.374 18.790 1.00 0.00 WATA O ATOM 11759 H1 TIP3A2653 31.292 -8.040 19.176 1.00 0.00 WATA H ATOM 11760 H2 TIP3A2653 32.721 -7.281 19.395 1.00 0.00 WATA H ATOM 11761 OH2 TIP3A2654 -6.592 11.927 25.837 1.00 0.00 WATA O ATOM 11762 H1 TIP3A2654 -5.855 12.280 26.414 1.00 0.00 WATA H ATOM 11763 H2 TIP3A2654 -6.386 12.117 24.878 1.00 0.00 WATA H ATOM 11764 OH2 TIP3A2655 -19.057 36.877 37.754 1.00 0.00 WATA O ATOM 11765 H1 TIP3A2655 -18.991 37.226 38.689 1.00 0.00 WATA H ATOM 11766 H2 TIP3A2655 -18.225 36.374 37.526 1.00 0.00 WATA H ATOM 11767 OH2 TIP3A2656 -8.019 -18.842 45.741 1.00 0.00 WATA O ATOM 11768 H1 TIP3A2656 -8.702 -19.570 45.670 1.00 0.00 WATA H ATOM 11769 H2 TIP3A2656 -7.191 -19.113 45.250 1.00 0.00 WATA H ATOM 11770 OH2 TIP3A2657 -47.729 -37.000 46.276 1.00 0.00 WATA O ATOM 11771 H1 TIP3A2657 -48.299 -36.445 45.669 1.00 0.00 WATA H ATOM 11772 H2 TIP3A2657 -46.843 -36.555 46.402 1.00 0.00 WATA H ATOM 11773 OH2 TIP3A2658 -52.725 0.645 9.487 1.00 0.00 WATA O ATOM 11774 H1 TIP3A2658 -53.083 1.366 8.892 1.00 0.00 WATA H ATOM 11775 H2 TIP3A2658 -51.733 0.590 9.383 1.00 0.00 WATA H ATOM 11776 OH2 TIP3A2659 34.607 -49.664 -19.702 1.00 0.00 WATA O ATOM 11777 H1 TIP3A2659 34.027 -50.424 -19.995 1.00 0.00 WATA H ATOM 11778 H2 TIP3A2659 35.448 -50.022 -19.298 1.00 0.00 WATA H ATOM 11779 OH2 TIP3A2660 -20.693 17.184 -21.561 1.00 0.00 WATA O ATOM 11780 H1 TIP3A2660 -20.210 17.330 -20.697 1.00 0.00 WATA H ATOM 11781 H2 TIP3A2660 -20.247 16.451 -22.073 1.00 0.00 WATA H ATOM 11782 OH2 TIP3A2661 -0.225 42.122 -37.281 1.00 0.00 WATA O ATOM 11783 H1 TIP3A2661 0.266 42.207 -36.414 1.00 0.00 WATA H ATOM 11784 H2 TIP3A2661 0.427 42.157 -38.038 1.00 0.00 WATA H ATOM 11785 OH2 TIP3A2662 -30.300 -17.104 -36.286 1.00 0.00 WATA O ATOM 11786 H1 TIP3A2662 -31.292 -16.983 -36.314 1.00 0.00 WATA H ATOM 11787 H2 TIP3A2662 -29.897 -16.422 -35.677 1.00 0.00 WATA H ATOM 11788 OH2 TIP3A2663 -53.344 15.059 -5.373 1.00 0.00 WATA O ATOM 11789 H1 TIP3A2663 -53.071 14.575 -6.205 1.00 0.00 WATA H ATOM 11790 H2 TIP3A2663 -53.135 14.494 -4.575 1.00 0.00 WATA H ATOM 11791 OH2 TIP3A2664 28.224 27.320 39.663 1.00 0.00 WATA O ATOM 11792 H1 TIP3A2664 28.055 26.557 39.038 1.00 0.00 WATA H ATOM 11793 H2 TIP3A2664 27.371 27.816 39.823 1.00 0.00 WATA H ATOM 11794 OH2 TIP3A2665 17.058 10.677 40.632 1.00 0.00 WATA O ATOM 11795 H1 TIP3A2665 17.175 9.823 40.123 1.00 0.00 WATA H ATOM 11796 H2 TIP3A2665 16.445 11.284 40.127 1.00 0.00 WATA H ATOM 11797 OH2 TIP3A2666 -16.343 18.429 31.837 1.00 0.00 WATA O ATOM 11798 H1 TIP3A2666 -16.274 17.789 31.072 1.00 0.00 WATA H ATOM 11799 H2 TIP3A2666 -17.256 18.836 31.851 1.00 0.00 WATA H ATOM 11800 OH2 TIP3A2667 32.438 22.946 42.434 1.00 0.00 WATA O ATOM 11801 H1 TIP3A2667 31.447 22.827 42.506 1.00 0.00 WATA H ATOM 11802 H2 TIP3A2667 32.878 22.051 42.373 1.00 0.00 WATA H ATOM 11803 OH2 TIP3A2668 18.503 14.135 -22.544 1.00 0.00 WATA O ATOM 11804 H1 TIP3A2668 18.199 15.087 -22.568 1.00 0.00 WATA H ATOM 11805 H2 TIP3A2668 19.480 14.101 -22.338 1.00 0.00 WATA H ATOM 11806 OH2 TIP3A2669 -38.524 -19.456 43.125 1.00 0.00 WATA O ATOM 11807 H1 TIP3A2669 -38.248 -19.508 42.165 1.00 0.00 WATA H ATOM 11808 H2 TIP3A2669 -38.566 -20.377 43.510 1.00 0.00 WATA H ATOM 11809 OH2 TIP3A2670 17.425 -46.743 -44.155 1.00 0.00 WATA O ATOM 11810 H1 TIP3A2670 17.143 -45.794 -44.299 1.00 0.00 WATA H ATOM 11811 H2 TIP3A2670 18.399 -46.772 -43.933 1.00 0.00 WATA H ATOM 11812 OH2 TIP3A2671 -26.224 -12.905 -22.267 1.00 0.00 WATA O ATOM 11813 H1 TIP3A2671 -25.790 -12.010 -22.158 1.00 0.00 WATA H ATOM 11814 H2 TIP3A2671 -25.702 -13.451 -22.921 1.00 0.00 WATA H ATOM 11815 OH2 TIP3A2672 -9.312 -39.017 34.784 1.00 0.00 WATA O ATOM 11816 H1 TIP3A2672 -9.776 -39.361 33.967 1.00 0.00 WATA H ATOM 11817 H2 TIP3A2672 -9.569 -38.064 34.937 1.00 0.00 WATA H ATOM 11818 OH2 TIP3A2673 33.974 -5.204 15.081 1.00 0.00 WATA O ATOM 11819 H1 TIP3A2673 33.479 -4.903 15.896 1.00 0.00 WATA H ATOM 11820 H2 TIP3A2673 34.512 -6.017 15.298 1.00 0.00 WATA H ATOM 11821 OH2 TIP3A2674 -15.533 25.181 -37.957 1.00 0.00 WATA O ATOM 11822 H1 TIP3A2674 -15.065 24.343 -38.237 1.00 0.00 WATA H ATOM 11823 H2 TIP3A2674 -16.430 24.953 -37.581 1.00 0.00 WATA H ATOM 11824 OH2 TIP3A2675 23.956 -36.029 -21.098 1.00 0.00 WATA O ATOM 11825 H1 TIP3A2675 24.231 -35.342 -21.771 1.00 0.00 WATA H ATOM 11826 H2 TIP3A2675 23.333 -36.683 -21.526 1.00 0.00 WATA H ATOM 11827 OH2 TIP3A2676 42.389 -48.932 27.666 1.00 0.00 WATA O ATOM 11828 H1 TIP3A2676 43.131 -48.796 28.323 1.00 0.00 WATA H ATOM 11829 H2 TIP3A2676 42.280 -49.908 27.482 1.00 0.00 WATA H ATOM 11830 OH2 TIP3A2677 27.680 -28.205 -40.406 1.00 0.00 WATA O ATOM 11831 H1 TIP3A2677 27.932 -27.267 -40.168 1.00 0.00 WATA H ATOM 11832 H2 TIP3A2677 28.486 -28.693 -40.740 1.00 0.00 WATA H ATOM 11833 OH2 TIP3A2678 -36.236 -28.196 -20.807 1.00 0.00 WATA O ATOM 11834 H1 TIP3A2678 -36.347 -28.687 -21.672 1.00 0.00 WATA H ATOM 11835 H2 TIP3A2678 -35.359 -27.717 -20.805 1.00 0.00 WATA H ATOM 11836 OH2 TIP3A2679 -10.713 -24.309 -46.105 1.00 0.00 WATA O ATOM 11837 H1 TIP3A2679 -9.888 -23.950 -45.668 1.00 0.00 WATA H ATOM 11838 H2 TIP3A2679 -10.600 -25.286 -46.278 1.00 0.00 WATA H ATOM 11839 OH2 TIP3A2680 21.153 6.960 48.685 1.00 0.00 WATA O ATOM 11840 H1 TIP3A2680 20.329 7.507 48.834 1.00 0.00 WATA H ATOM 11841 H2 TIP3A2680 21.923 7.565 48.483 1.00 0.00 WATA H ATOM 11842 OH2 TIP3A2681 -49.985 -18.388 19.692 1.00 0.00 WATA O ATOM 11843 H1 TIP3A2681 -49.198 -18.987 19.841 1.00 0.00 WATA H ATOM 11844 H2 TIP3A2681 -49.667 -17.461 19.500 1.00 0.00 WATA H ATOM 11845 OH2 TIP3A2682 -26.508 50.949 -35.895 1.00 0.00 WATA O ATOM 11846 H1 TIP3A2682 -25.619 50.553 -36.125 1.00 0.00 WATA H ATOM 11847 H2 TIP3A2682 -26.434 51.945 -35.873 1.00 0.00 WATA H ATOM 11848 OH2 TIP3A2683 -7.751 20.331 -49.635 1.00 0.00 WATA O ATOM 11849 H1 TIP3A2683 -6.858 20.766 -49.524 1.00 0.00 WATA H ATOM 11850 H2 TIP3A2683 -8.443 20.858 -49.142 1.00 0.00 WATA H ATOM 11851 OH2 TIP3A2684 6.012 -23.742 32.595 1.00 0.00 WATA O ATOM 11852 H1 TIP3A2684 5.093 -24.131 32.530 1.00 0.00 WATA H ATOM 11853 H2 TIP3A2684 6.688 -24.446 32.379 1.00 0.00 WATA H ATOM 11854 OH2 TIP3A2685 -38.526 2.706 19.684 1.00 0.00 WATA O ATOM 11855 H1 TIP3A2685 -38.709 1.726 19.608 1.00 0.00 WATA H ATOM 11856 H2 TIP3A2685 -39.053 3.087 20.443 1.00 0.00 WATA H ATOM 11857 OH2 TIP3A2686 50.910 37.186 -13.087 1.00 0.00 WATA O ATOM 11858 H1 TIP3A2686 51.267 38.034 -12.697 1.00 0.00 WATA H ATOM 11859 H2 TIP3A2686 49.944 37.304 -13.314 1.00 0.00 WATA H ATOM 11860 OH2 TIP3A2687 -17.385 -17.278 34.639 1.00 0.00 WATA O ATOM 11861 H1 TIP3A2687 -17.766 -16.866 35.467 1.00 0.00 WATA H ATOM 11862 H2 TIP3A2687 -17.227 -18.253 34.794 1.00 0.00 WATA H ATOM 11863 OH2 TIP3A2688 42.648 29.750 45.569 1.00 0.00 WATA O ATOM 11864 H1 TIP3A2688 43.628 29.948 45.539 1.00 0.00 WATA H ATOM 11865 H2 TIP3A2688 42.506 28.811 45.880 1.00 0.00 WATA H ATOM 11866 OH2 TIP3A2689 -9.462 -19.830 -26.779 1.00 0.00 WATA O ATOM 11867 H1 TIP3A2689 -9.454 -18.995 -27.329 1.00 0.00 WATA H ATOM 11868 H2 TIP3A2689 -8.774 -20.465 -27.126 1.00 0.00 WATA H ATOM 11869 OH2 TIP3A2690 13.767 32.457 27.111 1.00 0.00 WATA O ATOM 11870 H1 TIP3A2690 14.372 31.670 26.982 1.00 0.00 WATA H ATOM 11871 H2 TIP3A2690 14.297 33.301 27.040 1.00 0.00 WATA H ATOM 11872 OH2 TIP3A2691 42.870 -39.764 -39.808 1.00 0.00 WATA O ATOM 11873 H1 TIP3A2691 42.485 -39.314 -40.614 1.00 0.00 WATA H ATOM 11874 H2 TIP3A2691 43.842 -39.941 -39.957 1.00 0.00 WATA H ATOM 11875 OH2 TIP3A2692 -12.003 -29.042 50.705 1.00 0.00 WATA O ATOM 11876 H1 TIP3A2692 -12.133 -28.258 50.098 1.00 0.00 WATA H ATOM 11877 H2 TIP3A2692 -11.262 -28.847 51.347 1.00 0.00 WATA H ATOM 11878 OH2 TIP3A2693 26.714 -3.484 -49.693 1.00 0.00 WATA O ATOM 11879 H1 TIP3A2693 26.514 -4.350 -49.235 1.00 0.00 WATA H ATOM 11880 H2 TIP3A2693 27.539 -3.080 -49.300 1.00 0.00 WATA H ATOM 11881 OH2 TIP3A2694 5.260 42.951 -31.323 1.00 0.00 WATA O ATOM 11882 H1 TIP3A2694 5.537 41.993 -31.405 1.00 0.00 WATA H ATOM 11883 H2 TIP3A2694 6.070 43.522 -31.192 1.00 0.00 WATA H ATOM 11884 OH2 TIP3A2695 29.123 -44.751 -6.722 1.00 0.00 WATA O ATOM 11885 H1 TIP3A2695 29.274 -43.837 -6.345 1.00 0.00 WATA H ATOM 11886 H2 TIP3A2695 29.899 -45.339 -6.494 1.00 0.00 WATA H ATOM 11887 OH2 TIP3A2696 50.410 17.703 -38.595 1.00 0.00 WATA O ATOM 11888 H1 TIP3A2696 49.664 18.076 -39.146 1.00 0.00 WATA H ATOM 11889 H2 TIP3A2696 50.568 18.293 -37.804 1.00 0.00 WATA H ATOM 11890 OH2 TIP3A2697 30.376 6.927 -6.291 1.00 0.00 WATA O ATOM 11891 H1 TIP3A2697 30.690 6.130 -6.808 1.00 0.00 WATA H ATOM 11892 H2 TIP3A2697 30.029 7.619 -6.923 1.00 0.00 WATA H ATOM 11893 OH2 TIP3A2698 -40.570 8.363 -12.771 1.00 0.00 WATA O ATOM 11894 H1 TIP3A2698 -41.041 7.656 -12.244 1.00 0.00 WATA H ATOM 11895 H2 TIP3A2698 -41.198 8.750 -13.446 1.00 0.00 WATA H ATOM 11896 OH2 TIP3A2699 -42.063 -53.345 41.689 1.00 0.00 WATA O ATOM 11897 H1 TIP3A2699 -42.555 -52.512 41.433 1.00 0.00 WATA H ATOM 11898 H2 TIP3A2699 -41.099 -53.130 41.839 1.00 0.00 WATA H ATOM 11899 OH2 TIP3A2700 -21.152 43.705 10.527 1.00 0.00 WATA O ATOM 11900 H1 TIP3A2700 -21.734 43.791 11.336 1.00 0.00 WATA H ATOM 11901 H2 TIP3A2700 -21.352 42.843 10.063 1.00 0.00 WATA H ATOM 11902 OH2 TIP3A2701 36.491 -34.765 51.276 1.00 0.00 WATA O ATOM 11903 H1 TIP3A2701 35.575 -34.624 51.652 1.00 0.00 WATA H ATOM 11904 H2 TIP3A2701 37.174 -34.549 51.973 1.00 0.00 WATA H ATOM 11905 OH2 TIP3A2702 -41.471 48.475 41.998 1.00 0.00 WATA O ATOM 11906 H1 TIP3A2702 -41.179 48.869 41.127 1.00 0.00 WATA H ATOM 11907 H2 TIP3A2702 -40.898 48.833 42.735 1.00 0.00 WATA H ATOM 11908 OH2 TIP3A2703 34.306 3.973 48.561 1.00 0.00 WATA O ATOM 11909 H1 TIP3A2703 33.331 4.007 48.785 1.00 0.00 WATA H ATOM 11910 H2 TIP3A2703 34.420 3.674 47.614 1.00 0.00 WATA H ATOM 11911 OH2 TIP3A2704 -48.409 -30.084 -26.890 1.00 0.00 WATA O ATOM 11912 H1 TIP3A2704 -49.373 -29.819 -26.919 1.00 0.00 WATA H ATOM 11913 H2 TIP3A2704 -48.171 -30.572 -27.729 1.00 0.00 WATA H ATOM 11914 OH2 TIP3A2705 52.730 -25.834 11.951 1.00 0.00 WATA O ATOM 11915 H1 TIP3A2705 53.170 -24.972 12.205 1.00 0.00 WATA H ATOM 11916 H2 TIP3A2705 52.574 -25.851 10.964 1.00 0.00 WATA H ATOM 11917 OH2 TIP3A2706 30.561 35.189 -21.512 1.00 0.00 WATA O ATOM 11918 H1 TIP3A2706 29.587 35.418 -21.515 1.00 0.00 WATA H ATOM 11919 H2 TIP3A2706 31.102 36.029 -21.506 1.00 0.00 WATA H ATOM 11920 OH2 TIP3A2707 26.806 -11.353 0.940 1.00 0.00 WATA O ATOM 11921 H1 TIP3A2707 25.970 -10.814 0.831 1.00 0.00 WATA H ATOM 11922 H2 TIP3A2707 27.517 -10.785 1.354 1.00 0.00 WATA H ATOM 11923 OH2 TIP3A2708 37.132 -14.919 -38.031 1.00 0.00 WATA O ATOM 11924 H1 TIP3A2708 37.313 -15.896 -38.143 1.00 0.00 WATA H ATOM 11925 H2 TIP3A2708 37.244 -14.456 -38.910 1.00 0.00 WATA H ATOM 11926 OH2 TIP3A2709 -46.130 -27.390 10.547 1.00 0.00 WATA O ATOM 11927 H1 TIP3A2709 -45.616 -27.518 9.699 1.00 0.00 WATA H ATOM 11928 H2 TIP3A2709 -46.808 -28.119 10.639 1.00 0.00 WATA H ATOM 11929 OH2 TIP3A2710 -52.454 -49.008 -23.994 1.00 0.00 WATA O ATOM 11930 H1 TIP3A2710 -51.662 -48.399 -23.953 1.00 0.00 WATA H ATOM 11931 H2 TIP3A2710 -53.289 -48.464 -24.071 1.00 0.00 WATA H ATOM 11932 OH2 TIP3A2711 35.752 -25.382 -46.980 1.00 0.00 WATA O ATOM 11933 H1 TIP3A2711 36.195 -25.573 -46.103 1.00 0.00 WATA H ATOM 11934 H2 TIP3A2711 34.890 -24.903 -46.820 1.00 0.00 WATA H ATOM 11935 OH2 TIP3A2712 -47.483 9.354 -49.400 1.00 0.00 WATA O ATOM 11936 H1 TIP3A2712 -46.919 9.060 -50.173 1.00 0.00 WATA H ATOM 11937 H2 TIP3A2712 -48.081 8.604 -49.120 1.00 0.00 WATA H ATOM 11938 OH2 TIP3A2713 -51.866 -25.174 26.098 1.00 0.00 WATA O ATOM 11939 H1 TIP3A2713 -52.491 -24.394 26.058 1.00 0.00 WATA H ATOM 11940 H2 TIP3A2713 -50.922 -24.848 26.057 1.00 0.00 WATA H ATOM 11941 OH2 TIP3A2714 2.910 8.654 51.603 1.00 0.00 WATA O ATOM 11942 H1 TIP3A2714 2.032 8.373 51.990 1.00 0.00 WATA H ATOM 11943 H2 TIP3A2714 3.651 8.347 52.199 1.00 0.00 WATA H ATOM 11944 OH2 TIP3A2715 -39.613 -36.185 42.989 1.00 0.00 WATA O ATOM 11945 H1 TIP3A2715 -38.662 -36.493 42.946 1.00 0.00 WATA H ATOM 11946 H2 TIP3A2715 -39.943 -35.994 42.065 1.00 0.00 WATA H ATOM 11947 OH2 TIP3A2716 50.149 -30.190 -21.254 1.00 0.00 WATA O ATOM 11948 H1 TIP3A2716 49.246 -30.142 -21.681 1.00 0.00 WATA H ATOM 11949 H2 TIP3A2716 50.465 -31.138 -21.246 1.00 0.00 WATA H ATOM 11950 OH2 TIP3A2717 26.415 20.889 -16.021 1.00 0.00 WATA O ATOM 11951 H1 TIP3A2717 27.196 20.963 -15.401 1.00 0.00 WATA H ATOM 11952 H2 TIP3A2717 26.740 20.850 -16.965 1.00 0.00 WATA H ATOM 11953 OH2 TIP3A2718 41.324 -46.752 7.102 1.00 0.00 WATA O ATOM 11954 H1 TIP3A2718 41.886 -45.925 7.094 1.00 0.00 WATA H ATOM 11955 H2 TIP3A2718 41.885 -47.534 7.373 1.00 0.00 WATA H ATOM 11956 OH2 TIP3A2719 31.553 -33.413 -15.692 1.00 0.00 WATA O ATOM 11957 H1 TIP3A2719 31.530 -34.111 -16.407 1.00 0.00 WATA H ATOM 11958 H2 TIP3A2719 30.663 -32.960 -15.639 1.00 0.00 WATA H ATOM 11959 OH2 TIP3A2720 -12.414 43.467 -45.073 1.00 0.00 WATA O ATOM 11960 H1 TIP3A2720 -13.011 44.116 -44.601 1.00 0.00 WATA H ATOM 11961 H2 TIP3A2720 -12.829 42.559 -45.055 1.00 0.00 WATA H ATOM 11962 OH2 TIP3A2721 -53.134 -7.443 3.764 1.00 0.00 WATA O ATOM 11963 H1 TIP3A2721 -53.344 -6.617 4.288 1.00 0.00 WATA H ATOM 11964 H2 TIP3A2721 -53.344 -8.250 4.315 1.00 0.00 WATA H ATOM 11965 OH2 TIP3A2722 -50.669 50.613 16.960 1.00 0.00 WATA O ATOM 11966 H1 TIP3A2722 -51.496 51.029 16.580 1.00 0.00 WATA H ATOM 11967 H2 TIP3A2722 -50.896 49.724 17.357 1.00 0.00 WATA H ATOM 11968 OH2 TIP3A2723 1.455 25.737 -43.654 1.00 0.00 WATA O ATOM 11969 H1 TIP3A2723 0.786 25.770 -42.911 1.00 0.00 WATA H ATOM 11970 H2 TIP3A2723 1.361 26.553 -44.224 1.00 0.00 WATA H ATOM 11971 OH2 TIP3A2724 36.661 40.997 48.686 1.00 0.00 WATA O ATOM 11972 H1 TIP3A2724 37.660 40.944 48.665 1.00 0.00 WATA H ATOM 11973 H2 TIP3A2724 36.278 40.074 48.689 1.00 0.00 WATA H ATOM 11974 OH2 TIP3A2725 -40.165 -26.587 -48.971 1.00 0.00 WATA O ATOM 11975 H1 TIP3A2725 -39.629 -27.147 -49.603 1.00 0.00 WATA H ATOM 11976 H2 TIP3A2725 -40.580 -27.173 -48.275 1.00 0.00 WATA H ATOM 11977 OH2 TIP3A2726 -14.456 -47.864 27.696 1.00 0.00 WATA O ATOM 11978 H1 TIP3A2726 -15.256 -48.159 28.218 1.00 0.00 WATA H ATOM 11979 H2 TIP3A2726 -14.753 -47.354 26.890 1.00 0.00 WATA H ATOM 11980 OH2 TIP3A2727 4.746 29.642 30.856 1.00 0.00 WATA O ATOM 11981 H1 TIP3A2727 4.935 30.622 30.779 1.00 0.00 WATA H ATOM 11982 H2 TIP3A2727 3.781 29.472 30.660 1.00 0.00 WATA H ATOM 11983 OH2 TIP3A2728 -49.777 24.584 -49.335 1.00 0.00 WATA O ATOM 11984 H1 TIP3A2728 -49.803 23.766 -49.910 1.00 0.00 WATA H ATOM 11985 H2 TIP3A2728 -49.053 25.194 -49.655 1.00 0.00 WATA H ATOM 11986 OH2 TIP3A2729 -17.566 30.157 -35.578 1.00 0.00 WATA O ATOM 11987 H1 TIP3A2729 -16.935 30.925 -35.469 1.00 0.00 WATA H ATOM 11988 H2 TIP3A2729 -17.391 29.702 -36.451 1.00 0.00 WATA H ATOM 11989 OH2 TIP3A2730 50.350 24.051 36.649 1.00 0.00 WATA O ATOM 11990 H1 TIP3A2730 49.615 23.374 36.670 1.00 0.00 WATA H ATOM 11991 H2 TIP3A2730 51.227 23.597 36.802 1.00 0.00 WATA H ATOM 11992 OH2 TIP3A2731 41.829 1.747 -1.604 1.00 0.00 WATA O ATOM 11993 H1 TIP3A2731 42.406 2.406 -2.086 1.00 0.00 WATA H ATOM 11994 H2 TIP3A2731 41.207 2.234 -0.992 1.00 0.00 WATA H ATOM 11995 OH2 TIP3A2732 -26.672 -40.749 -26.206 1.00 0.00 WATA O ATOM 11996 H1 TIP3A2732 -27.629 -40.470 -26.285 1.00 0.00 WATA H ATOM 11997 H2 TIP3A2732 -26.625 -41.683 -25.853 1.00 0.00 WATA H ATOM 11998 OH2 TIP3A2733 -32.514 -9.795 -13.046 1.00 0.00 WATA O ATOM 11999 H1 TIP3A2733 -32.837 -8.896 -13.344 1.00 0.00 WATA H ATOM 12000 H2 TIP3A2733 -31.986 -10.220 -13.780 1.00 0.00 WATA H ATOM 12001 OH2 TIP3A2734 22.539 35.377 -41.222 1.00 0.00 WATA O ATOM 12002 H1 TIP3A2734 22.120 34.557 -40.834 1.00 0.00 WATA H ATOM 12003 H2 TIP3A2734 23.534 35.300 -41.172 1.00 0.00 WATA H ATOM 12004 OH2 TIP3A2735 19.892 44.008 -43.570 1.00 0.00 WATA O ATOM 12005 H1 TIP3A2735 18.959 43.697 -43.391 1.00 0.00 WATA H ATOM 12006 H2 TIP3A2735 20.149 43.771 -44.506 1.00 0.00 WATA H ATOM 12007 OH2 TIP3A2736 -51.976 -34.112 34.916 1.00 0.00 WATA O ATOM 12008 H1 TIP3A2736 -52.113 -33.121 34.943 1.00 0.00 WATA H ATOM 12009 H2 TIP3A2736 -52.500 -34.541 35.650 1.00 0.00 WATA H ATOM 12010 OH2 TIP3A2737 34.506 49.794 1.592 1.00 0.00 WATA O ATOM 12011 H1 TIP3A2737 34.557 50.599 1.001 1.00 0.00 WATA H ATOM 12012 H2 TIP3A2737 34.610 50.073 2.546 1.00 0.00 WATA H ATOM 12013 OH2 TIP3A2738 -18.806 -38.311 51.317 1.00 0.00 WATA O ATOM 12014 H1 TIP3A2738 -18.348 -37.667 50.704 1.00 0.00 WATA H ATOM 12015 H2 TIP3A2738 -19.790 -38.136 51.311 1.00 0.00 WATA H ATOM 12016 OH2 TIP3A2739 -51.025 -51.102 -12.267 1.00 0.00 WATA O ATOM 12017 H1 TIP3A2739 -50.176 -50.593 -12.413 1.00 0.00 WATA H ATOM 12018 H2 TIP3A2739 -50.810 -52.047 -12.021 1.00 0.00 WATA H ATOM 12019 OH2 TIP3A2740 39.630 -26.199 46.561 1.00 0.00 WATA O ATOM 12020 H1 TIP3A2740 40.097 -26.270 45.679 1.00 0.00 WATA H ATOM 12021 H2 TIP3A2740 40.294 -26.307 47.300 1.00 0.00 WATA H ATOM 12022 OH2 TIP3A2741 -37.232 -31.442 -27.036 1.00 0.00 WATA O ATOM 12023 H1 TIP3A2741 -37.638 -30.546 -27.215 1.00 0.00 WATA H ATOM 12024 H2 TIP3A2741 -36.501 -31.615 -27.695 1.00 0.00 WATA H ATOM 12025 OH2 TIP3A2742 -8.200 -25.043 0.825 1.00 0.00 WATA O ATOM 12026 H1 TIP3A2742 -8.253 -25.693 1.584 1.00 0.00 WATA H ATOM 12027 H2 TIP3A2742 -8.801 -25.344 0.085 1.00 0.00 WATA H ATOM 12028 OH2 TIP3A2743 7.131 -10.418 -25.469 1.00 0.00 WATA O ATOM 12029 H1 TIP3A2743 6.600 -9.571 -25.467 1.00 0.00 WATA H ATOM 12030 H2 TIP3A2743 8.046 -10.240 -25.108 1.00 0.00 WATA H ATOM 12031 OH2 TIP3A2744 4.322 12.519 -36.219 1.00 0.00 WATA O ATOM 12032 H1 TIP3A2744 4.124 11.596 -36.549 1.00 0.00 WATA H ATOM 12033 H2 TIP3A2744 4.854 13.012 -36.907 1.00 0.00 WATA H ATOM 12034 OH2 TIP3A2745 48.325 19.342 1.238 1.00 0.00 WATA O ATOM 12035 H1 TIP3A2745 49.240 19.745 1.242 1.00 0.00 WATA H ATOM 12036 H2 TIP3A2745 47.673 19.997 0.858 1.00 0.00 WATA H ATOM 12037 OH2 TIP3A2746 20.427 46.371 47.553 1.00 0.00 WATA O ATOM 12038 H1 TIP3A2746 20.483 46.717 46.616 1.00 0.00 WATA H ATOM 12039 H2 TIP3A2746 19.737 45.650 47.602 1.00 0.00 WATA H ATOM 12040 OH2 TIP3A2747 26.113 2.207 1.868 1.00 0.00 WATA O ATOM 12041 H1 TIP3A2747 27.035 2.151 2.251 1.00 0.00 WATA H ATOM 12042 H2 TIP3A2747 25.648 3.013 2.232 1.00 0.00 WATA H ATOM 12043 OH2 TIP3A2748 41.673 49.422 43.176 1.00 0.00 WATA O ATOM 12044 H1 TIP3A2748 41.091 50.114 43.604 1.00 0.00 WATA H ATOM 12045 H2 TIP3A2748 41.103 48.687 42.810 1.00 0.00 WATA H ATOM 12046 OH2 TIP3A2749 -13.549 22.798 -23.584 1.00 0.00 WATA O ATOM 12047 H1 TIP3A2749 -14.177 22.484 -22.871 1.00 0.00 WATA H ATOM 12048 H2 TIP3A2749 -12.620 22.504 -23.362 1.00 0.00 WATA H ATOM 12049 OH2 TIP3A2750 -36.397 43.847 -7.535 1.00 0.00 WATA O ATOM 12050 H1 TIP3A2750 -36.942 43.462 -8.280 1.00 0.00 WATA H ATOM 12051 H2 TIP3A2750 -36.982 44.001 -6.739 1.00 0.00 WATA H ATOM 12052 OH2 TIP3A2751 12.381 30.263 45.052 1.00 0.00 WATA O ATOM 12053 H1 TIP3A2751 12.882 29.602 44.493 1.00 0.00 WATA H ATOM 12054 H2 TIP3A2751 13.026 30.800 45.594 1.00 0.00 WATA H ATOM 12055 OH2 TIP3A2752 4.734 -15.939 -50.123 1.00 0.00 WATA O ATOM 12056 H1 TIP3A2752 5.134 -16.807 -49.829 1.00 0.00 WATA H ATOM 12057 H2 TIP3A2752 3.747 -15.956 -49.966 1.00 0.00 WATA H ATOM 12058 OH2 TIP3A2753 32.439 -29.657 4.770 1.00 0.00 WATA O ATOM 12059 H1 TIP3A2753 32.946 -30.098 4.029 1.00 0.00 WATA H ATOM 12060 H2 TIP3A2753 31.486 -29.959 4.746 1.00 0.00 WATA H ATOM 12061 OH2 TIP3A2754 -16.504 -16.505 -41.838 1.00 0.00 WATA O ATOM 12062 H1 TIP3A2754 -17.077 -16.628 -41.027 1.00 0.00 WATA H ATOM 12063 H2 TIP3A2754 -16.055 -17.369 -42.063 1.00 0.00 WATA H ATOM 12064 OH2 TIP3A2755 -13.816 -52.481 5.332 1.00 0.00 WATA O ATOM 12065 H1 TIP3A2755 -12.891 -52.738 5.053 1.00 0.00 WATA H ATOM 12066 H2 TIP3A2755 -14.360 -53.305 5.485 1.00 0.00 WATA H ATOM 12067 OH2 TIP3A2756 37.637 -9.683 19.800 1.00 0.00 WATA O ATOM 12068 H1 TIP3A2756 38.477 -9.148 19.707 1.00 0.00 WATA H ATOM 12069 H2 TIP3A2756 37.848 -10.655 19.701 1.00 0.00 WATA H ATOM 12070 OH2 TIP3A2757 -47.072 52.352 38.049 1.00 0.00 WATA O ATOM 12071 H1 TIP3A2757 -47.947 51.869 38.021 1.00 0.00 WATA H ATOM 12072 H2 TIP3A2757 -47.235 53.337 38.087 1.00 0.00 WATA H ATOM 12073 OH2 TIP3A2758 -16.858 -8.367 24.410 1.00 0.00 WATA O ATOM 12074 H1 TIP3A2758 -16.708 -8.169 23.441 1.00 0.00 WATA H ATOM 12075 H2 TIP3A2758 -16.623 -9.320 24.596 1.00 0.00 WATA H ATOM 12076 OH2 TIP3A2759 24.522 8.071 3.351 1.00 0.00 WATA O ATOM 12077 H1 TIP3A2759 23.958 7.540 3.984 1.00 0.00 WATA H ATOM 12078 H2 TIP3A2759 24.724 7.521 2.541 1.00 0.00 WATA H ATOM 12079 OH2 TIP3A2760 27.965 -52.083 29.061 1.00 0.00 WATA O ATOM 12080 H1 TIP3A2760 26.968 -52.028 29.119 1.00 0.00 WATA H ATOM 12081 H2 TIP3A2760 28.326 -51.221 28.706 1.00 0.00 WATA H ATOM 12082 OH2 TIP3A2761 -36.688 7.610 40.762 1.00 0.00 WATA O ATOM 12083 H1 TIP3A2761 -36.837 6.677 41.090 1.00 0.00 WATA H ATOM 12084 H2 TIP3A2761 -37.519 7.946 40.320 1.00 0.00 WATA H ATOM 12085 OH2 TIP3A2762 37.571 -50.514 22.800 1.00 0.00 WATA O ATOM 12086 H1 TIP3A2762 38.167 -49.716 22.714 1.00 0.00 WATA H ATOM 12087 H2 TIP3A2762 36.640 -50.265 22.538 1.00 0.00 WATA H ATOM 12088 OH2 TIP3A2763 45.527 39.910 -39.248 1.00 0.00 WATA O ATOM 12089 H1 TIP3A2763 45.690 39.667 -40.205 1.00 0.00 WATA H ATOM 12090 H2 TIP3A2763 45.277 39.090 -38.734 1.00 0.00 WATA H ATOM 12091 OH2 TIP3A2764 -11.311 -14.402 -44.580 1.00 0.00 WATA O ATOM 12092 H1 TIP3A2764 -10.973 -14.145 -45.486 1.00 0.00 WATA H ATOM 12093 H2 TIP3A2764 -11.607 -15.356 -44.593 1.00 0.00 WATA H ATOM 12094 OH2 TIP3A2765 27.429 20.020 17.730 1.00 0.00 WATA O ATOM 12095 H1 TIP3A2765 28.012 19.372 18.221 1.00 0.00 WATA H ATOM 12096 H2 TIP3A2765 27.999 20.712 17.288 1.00 0.00 WATA H ATOM 12097 OH2 TIP3A2766 -44.446 -5.659 11.179 1.00 0.00 WATA O ATOM 12098 H1 TIP3A2766 -43.907 -4.825 11.300 1.00 0.00 WATA H ATOM 12099 H2 TIP3A2766 -45.336 -5.428 10.790 1.00 0.00 WATA H ATOM 12100 OH2 TIP3A2767 -18.387 13.762 38.785 1.00 0.00 WATA O ATOM 12101 H1 TIP3A2767 -18.003 14.545 38.296 1.00 0.00 WATA H ATOM 12102 H2 TIP3A2767 -18.254 13.884 39.768 1.00 0.00 WATA H ATOM 12103 OH2 TIP3A2768 -15.348 -21.761 28.279 1.00 0.00 WATA O ATOM 12104 H1 TIP3A2768 -14.465 -21.292 28.309 1.00 0.00 WATA H ATOM 12105 H2 TIP3A2768 -15.215 -22.735 28.464 1.00 0.00 WATA H ATOM 12106 OH2 TIP3A2769 -46.216 12.338 -37.178 1.00 0.00 WATA O ATOM 12107 H1 TIP3A2769 -47.102 12.239 -36.726 1.00 0.00 WATA H ATOM 12108 H2 TIP3A2769 -46.350 12.705 -38.098 1.00 0.00 WATA H ATOM 12109 OH2 TIP3A2770 26.140 24.045 9.543 1.00 0.00 WATA O ATOM 12110 H1 TIP3A2770 27.062 23.986 9.926 1.00 0.00 WATA H ATOM 12111 H2 TIP3A2770 25.993 24.958 9.164 1.00 0.00 WATA H ATOM 12112 OH2 TIP3A2771 -32.469 -43.539 37.432 1.00 0.00 WATA O ATOM 12113 H1 TIP3A2771 -32.931 -43.312 36.574 1.00 0.00 WATA H ATOM 12114 H2 TIP3A2771 -31.915 -42.762 37.729 1.00 0.00 WATA H ATOM 12115 OH2 TIP3A2772 34.955 39.769 -2.172 1.00 0.00 WATA O ATOM 12116 H1 TIP3A2772 34.967 38.967 -2.771 1.00 0.00 WATA H ATOM 12117 H2 TIP3A2772 35.739 39.735 -1.554 1.00 0.00 WATA H ATOM 12118 OH2 TIP3A2773 -17.135 -15.937 15.366 1.00 0.00 WATA O ATOM 12119 H1 TIP3A2773 -18.011 -15.673 14.962 1.00 0.00 WATA H ATOM 12120 H2 TIP3A2773 -16.534 -15.141 15.411 1.00 0.00 WATA H ATOM 12121 OH2 TIP3A2774 -2.418 -33.300 -39.962 1.00 0.00 WATA O ATOM 12122 H1 TIP3A2774 -1.956 -34.180 -39.853 1.00 0.00 WATA H ATOM 12123 H2 TIP3A2774 -2.225 -32.932 -40.871 1.00 0.00 WATA H ATOM 12124 OH2 TIP3A2775 -52.013 27.972 46.457 1.00 0.00 WATA O ATOM 12125 H1 TIP3A2775 -51.572 27.113 46.718 1.00 0.00 WATA H ATOM 12126 H2 TIP3A2775 -52.992 27.916 46.649 1.00 0.00 WATA H ATOM 12127 OH2 TIP3A2776 -48.115 1.860 6.095 1.00 0.00 WATA O ATOM 12128 H1 TIP3A2776 -48.476 1.562 5.211 1.00 0.00 WATA H ATOM 12129 H2 TIP3A2776 -48.380 1.205 6.802 1.00 0.00 WATA H ATOM 12130 OH2 TIP3A2777 14.521 25.644 24.974 1.00 0.00 WATA O ATOM 12131 H1 TIP3A2777 14.025 25.080 25.634 1.00 0.00 WATA H ATOM 12132 H2 TIP3A2777 14.482 26.602 25.258 1.00 0.00 WATA H ATOM 12133 OH2 TIP3A2778 7.777 13.230 22.183 1.00 0.00 WATA O ATOM 12134 H1 TIP3A2778 8.472 12.805 22.763 1.00 0.00 WATA H ATOM 12135 H2 TIP3A2778 7.680 14.193 22.431 1.00 0.00 WATA H ATOM 12136 OH2 TIP3A2779 -21.011 39.677 -19.871 1.00 0.00 WATA O ATOM 12137 H1 TIP3A2779 -20.800 40.653 -19.921 1.00 0.00 WATA H ATOM 12138 H2 TIP3A2779 -21.967 39.555 -19.606 1.00 0.00 WATA H ATOM 12139 OH2 TIP3A2780 33.531 -10.775 -52.083 1.00 0.00 WATA O ATOM 12140 H1 TIP3A2780 33.863 -11.435 -52.758 1.00 0.00 WATA H ATOM 12141 H2 TIP3A2780 32.750 -11.162 -51.595 1.00 0.00 WATA H ATOM 12142 OH2 TIP3A2781 -49.583 23.522 19.127 1.00 0.00 WATA O ATOM 12143 H1 TIP3A2781 -50.501 23.567 19.521 1.00 0.00 WATA H ATOM 12144 H2 TIP3A2781 -48.950 23.141 19.799 1.00 0.00 WATA H ATOM 12145 OH2 TIP3A2782 20.578 21.837 35.659 1.00 0.00 WATA O ATOM 12146 H1 TIP3A2782 20.271 22.681 35.219 1.00 0.00 WATA H ATOM 12147 H2 TIP3A2782 21.568 21.749 35.560 1.00 0.00 WATA H ATOM 12148 OH2 TIP3A2783 -33.876 -5.486 -47.164 1.00 0.00 WATA O ATOM 12149 H1 TIP3A2783 -34.398 -6.294 -47.438 1.00 0.00 WATA H ATOM 12150 H2 TIP3A2783 -32.931 -5.748 -46.973 1.00 0.00 WATA H ATOM 12151 OH2 TIP3A2784 -12.354 -36.598 -40.016 1.00 0.00 WATA O ATOM 12152 H1 TIP3A2784 -13.133 -35.989 -40.159 1.00 0.00 WATA H ATOM 12153 H2 TIP3A2784 -11.648 -36.121 -39.492 1.00 0.00 WATA H ATOM 12154 OH2 TIP3A2785 8.426 17.495 -45.332 1.00 0.00 WATA O ATOM 12155 H1 TIP3A2785 9.378 17.198 -45.245 1.00 0.00 WATA H ATOM 12156 H2 TIP3A2785 8.085 17.259 -46.241 1.00 0.00 WATA H ATOM 12157 OH2 TIP3A2786 -41.391 -25.590 1.458 1.00 0.00 WATA O ATOM 12158 H1 TIP3A2786 -41.683 -26.504 1.740 1.00 0.00 WATA H ATOM 12159 H2 TIP3A2786 -40.406 -25.591 1.291 1.00 0.00 WATA H ATOM 12160 OH2 TIP3A2787 -24.009 -38.690 42.351 1.00 0.00 WATA O ATOM 12161 H1 TIP3A2787 -25.001 -38.724 42.481 1.00 0.00 WATA H ATOM 12162 H2 TIP3A2787 -23.686 -39.576 42.021 1.00 0.00 WATA H ATOM 12163 OH2 TIP3A2788 41.459 5.724 -3.811 1.00 0.00 WATA O ATOM 12164 H1 TIP3A2788 40.851 6.515 -3.883 1.00 0.00 WATA H ATOM 12165 H2 TIP3A2788 40.933 4.885 -3.945 1.00 0.00 WATA H ATOM 12166 OH2 TIP3A2789 -51.152 -30.118 4.959 1.00 0.00 WATA O ATOM 12167 H1 TIP3A2789 -51.508 -31.027 5.174 1.00 0.00 WATA H ATOM 12168 H2 TIP3A2789 -50.873 -30.087 4.000 1.00 0.00 WATA H ATOM 12169 OH2 TIP3A2790 -38.916 19.149 -44.173 1.00 0.00 WATA O ATOM 12170 H1 TIP3A2790 -39.591 19.887 -44.172 1.00 0.00 WATA H ATOM 12171 H2 TIP3A2790 -37.997 19.537 -44.244 1.00 0.00 WATA H ATOM 12172 OH2 TIP3A2791 36.106 -16.943 15.542 1.00 0.00 WATA O ATOM 12173 H1 TIP3A2791 36.927 -17.409 15.211 1.00 0.00 WATA H ATOM 12174 H2 TIP3A2791 35.396 -17.618 15.740 1.00 0.00 WATA H ATOM 12175 OH2 TIP3A2792 -10.118 -51.240 -29.843 1.00 0.00 WATA O ATOM 12176 H1 TIP3A2792 -9.460 -51.715 -30.427 1.00 0.00 WATA H ATOM 12177 H2 TIP3A2792 -10.684 -51.910 -29.364 1.00 0.00 WATA H ATOM 12178 OH2 TIP3A2793 19.847 -30.776 38.254 1.00 0.00 WATA O ATOM 12179 H1 TIP3A2793 20.443 -31.546 38.482 1.00 0.00 WATA H ATOM 12180 H2 TIP3A2793 18.891 -31.059 38.332 1.00 0.00 WATA H ATOM 12181 OH2 TIP3A2794 -37.815 -15.055 -9.721 1.00 0.00 WATA O ATOM 12182 H1 TIP3A2794 -37.341 -15.097 -8.842 1.00 0.00 WATA H ATOM 12183 H2 TIP3A2794 -37.665 -15.907 -10.222 1.00 0.00 WATA H ATOM 12184 OH2 TIP3A2795 42.732 25.665 38.179 1.00 0.00 WATA O ATOM 12185 H1 TIP3A2795 41.792 25.394 38.385 1.00 0.00 WATA H ATOM 12186 H2 TIP3A2795 43.297 24.849 38.064 1.00 0.00 WATA H ATOM 12187 OH2 TIP3A2796 3.861 -37.240 1.463 1.00 0.00 WATA O ATOM 12188 H1 TIP3A2796 4.506 -37.207 0.700 1.00 0.00 WATA H ATOM 12189 H2 TIP3A2796 4.359 -37.400 2.314 1.00 0.00 WATA H ATOM 12190 OH2 TIP3A2797 -48.049 48.600 1.503 1.00 0.00 WATA O ATOM 12191 H1 TIP3A2797 -48.815 47.971 1.641 1.00 0.00 WATA H ATOM 12192 H2 TIP3A2797 -47.895 49.126 2.339 1.00 0.00 WATA H ATOM 12193 OH2 TIP3A2798 35.847 -9.803 23.583 1.00 0.00 WATA O ATOM 12194 H1 TIP3A2798 36.565 -10.436 23.295 1.00 0.00 WATA H ATOM 12195 H2 TIP3A2798 34.980 -10.296 23.662 1.00 0.00 WATA H ATOM 12196 OH2 TIP3A2799 -34.629 -47.501 -10.034 1.00 0.00 WATA O ATOM 12197 H1 TIP3A2799 -34.115 -46.736 -10.422 1.00 0.00 WATA H ATOM 12198 H2 TIP3A2799 -34.432 -47.573 -9.057 1.00 0.00 WATA H ATOM 12199 OH2 TIP3A2800 38.784 20.711 -29.975 1.00 0.00 WATA O ATOM 12200 H1 TIP3A2800 39.781 20.643 -29.946 1.00 0.00 WATA H ATOM 12201 H2 TIP3A2800 38.388 19.793 -29.980 1.00 0.00 WATA H ATOM 12202 OH2 TIP3A2801 33.347 24.757 -33.368 1.00 0.00 WATA O ATOM 12203 H1 TIP3A2801 33.880 25.529 -33.020 1.00 0.00 WATA H ATOM 12204 H2 TIP3A2801 32.569 24.590 -32.763 1.00 0.00 WATA H ATOM 12205 OH2 TIP3A2802 29.665 21.146 -8.526 1.00 0.00 WATA O ATOM 12206 H1 TIP3A2802 28.942 21.503 -7.934 1.00 0.00 WATA H ATOM 12207 H2 TIP3A2802 30.264 21.894 -8.809 1.00 0.00 WATA H ATOM 12208 OH2 TIP3A2803 13.301 6.691 31.001 1.00 0.00 WATA O ATOM 12209 H1 TIP3A2803 13.534 7.649 31.167 1.00 0.00 WATA H ATOM 12210 H2 TIP3A2803 12.315 6.564 31.105 1.00 0.00 WATA H ATOM 12211 OH2 TIP3A2804 -26.932 -2.166 40.860 1.00 0.00 WATA O ATOM 12212 H1 TIP3A2804 -26.740 -1.321 41.360 1.00 0.00 WATA H ATOM 12213 H2 TIP3A2804 -26.803 -2.949 41.467 1.00 0.00 WATA H ATOM 12214 OH2 TIP3A2805 -38.168 1.507 -13.483 1.00 0.00 WATA O ATOM 12215 H1 TIP3A2805 -37.890 2.220 -14.127 1.00 0.00 WATA H ATOM 12216 H2 TIP3A2805 -37.365 1.170 -12.991 1.00 0.00 WATA H ATOM 12217 OH2 TIP3A2806 -2.499 -31.614 -47.552 1.00 0.00 WATA O ATOM 12218 H1 TIP3A2806 -3.201 -32.316 -47.435 1.00 0.00 WATA H ATOM 12219 H2 TIP3A2806 -2.451 -31.347 -48.514 1.00 0.00 WATA H ATOM 12220 OH2 TIP3A2807 10.947 6.826 48.887 1.00 0.00 WATA O ATOM 12221 H1 TIP3A2807 10.931 7.822 48.798 1.00 0.00 WATA H ATOM 12222 H2 TIP3A2807 11.860 6.530 49.164 1.00 0.00 WATA H ATOM 12223 OH2 TIP3A2808 -24.846 -17.261 24.791 1.00 0.00 WATA O ATOM 12224 H1 TIP3A2808 -24.101 -16.622 24.985 1.00 0.00 WATA H ATOM 12225 H2 TIP3A2808 -25.603 -16.770 24.363 1.00 0.00 WATA H ATOM 12226 OH2 TIP3A2809 -23.979 -21.189 18.981 1.00 0.00 WATA O ATOM 12227 H1 TIP3A2809 -23.042 -21.259 19.323 1.00 0.00 WATA H ATOM 12228 H2 TIP3A2809 -24.179 -20.239 18.745 1.00 0.00 WATA H ATOM 12229 OH2 TIP3A2810 -48.640 -1.631 42.501 1.00 0.00 WATA O ATOM 12230 H1 TIP3A2810 -49.471 -1.179 42.175 1.00 0.00 WATA H ATOM 12231 H2 TIP3A2810 -47.847 -1.056 42.302 1.00 0.00 WATA H ATOM 12232 OH2 TIP3A2811 44.031 -51.067 -42.900 1.00 0.00 WATA O ATOM 12233 H1 TIP3A2811 43.649 -50.294 -42.394 1.00 0.00 WATA H ATOM 12234 H2 TIP3A2811 43.346 -51.422 -43.535 1.00 0.00 WATA H ATOM 12235 OH2 TIP3A2812 -8.174 27.459 -41.527 1.00 0.00 WATA O ATOM 12236 H1 TIP3A2812 -8.898 27.008 -41.005 1.00 0.00 WATA H ATOM 12237 H2 TIP3A2812 -7.652 26.774 -42.035 1.00 0.00 WATA H ATOM 12238 OH2 TIP3A2813 33.155 -8.932 -49.440 1.00 0.00 WATA O ATOM 12239 H1 TIP3A2813 32.810 -9.742 -49.916 1.00 0.00 WATA H ATOM 12240 H2 TIP3A2813 33.534 -9.200 -48.556 1.00 0.00 WATA H ATOM 12241 OH2 TIP3A2814 -36.188 -34.368 4.783 1.00 0.00 WATA O ATOM 12242 H1 TIP3A2814 -36.575 -35.206 5.168 1.00 0.00 WATA H ATOM 12243 H2 TIP3A2814 -35.443 -34.046 5.366 1.00 0.00 WATA H ATOM 12244 OH2 TIP3A2815 40.853 33.451 -13.164 1.00 0.00 WATA O ATOM 12245 H1 TIP3A2815 40.378 32.597 -13.379 1.00 0.00 WATA H ATOM 12246 H2 TIP3A2815 40.830 34.055 -13.960 1.00 0.00 WATA H ATOM 12247 OH2 TIP3A2816 -17.881 9.575 -25.418 1.00 0.00 WATA O ATOM 12248 H1 TIP3A2816 -17.399 10.441 -25.280 1.00 0.00 WATA H ATOM 12249 H2 TIP3A2816 -18.846 9.756 -25.603 1.00 0.00 WATA H ATOM 12250 OH2 TIP3A2817 -44.667 0.081 30.884 1.00 0.00 WATA O ATOM 12251 H1 TIP3A2817 -45.033 -0.511 30.166 1.00 0.00 WATA H ATOM 12252 H2 TIP3A2817 -43.670 0.011 30.899 1.00 0.00 WATA H ATOM 12253 OH2 TIP3A2818 -15.395 -17.615 -23.252 1.00 0.00 WATA O ATOM 12254 H1 TIP3A2818 -15.266 -18.167 -22.428 1.00 0.00 WATA H ATOM 12255 H2 TIP3A2818 -16.328 -17.255 -23.269 1.00 0.00 WATA H ATOM 12256 OH2 TIP3A2819 29.506 15.258 -36.194 1.00 0.00 WATA O ATOM 12257 H1 TIP3A2819 29.126 15.555 -35.318 1.00 0.00 WATA H ATOM 12258 H2 TIP3A2819 28.779 15.223 -36.879 1.00 0.00 WATA H ATOM 12259 OH2 TIP3A2820 35.660 15.189 -27.272 1.00 0.00 WATA O ATOM 12260 H1 TIP3A2820 36.548 15.635 -27.163 1.00 0.00 WATA H ATOM 12261 H2 TIP3A2820 35.054 15.465 -26.527 1.00 0.00 WATA H ATOM 12262 OH2 TIP3A2821 52.737 -25.099 -10.130 1.00 0.00 WATA O ATOM 12263 H1 TIP3A2821 53.139 -26.008 -10.023 1.00 0.00 WATA H ATOM 12264 H2 TIP3A2821 52.722 -24.852 -11.098 1.00 0.00 WATA H ATOM 12265 OH2 TIP3A2822 -8.310 47.494 37.751 1.00 0.00 WATA O ATOM 12266 H1 TIP3A2822 -8.843 48.333 37.647 1.00 0.00 WATA H ATOM 12267 H2 TIP3A2822 -7.373 47.724 38.011 1.00 0.00 WATA H ATOM 12268 OH2 TIP3A2823 37.506 16.597 38.357 1.00 0.00 WATA O ATOM 12269 H1 TIP3A2823 38.049 15.774 38.525 1.00 0.00 WATA H ATOM 12270 H2 TIP3A2823 38.116 17.373 38.199 1.00 0.00 WATA H ATOM 12271 OH2 TIP3A2824 40.317 -27.959 -31.674 1.00 0.00 WATA O ATOM 12272 H1 TIP3A2824 39.491 -28.451 -31.400 1.00 0.00 WATA H ATOM 12273 H2 TIP3A2824 41.090 -28.592 -31.703 1.00 0.00 WATA H ATOM 12274 OH2 TIP3A2825 -38.488 -44.270 51.433 1.00 0.00 WATA O ATOM 12275 H1 TIP3A2825 -39.290 -44.473 51.995 1.00 0.00 WATA H ATOM 12276 H2 TIP3A2825 -38.720 -43.566 50.762 1.00 0.00 WATA H ATOM 12277 OH2 TIP3A2826 -48.797 -19.611 -13.220 1.00 0.00 WATA O ATOM 12278 H1 TIP3A2826 -49.032 -19.274 -14.132 1.00 0.00 WATA H ATOM 12279 H2 TIP3A2826 -48.307 -18.900 -12.717 1.00 0.00 WATA H ATOM 12280 OH2 TIP3A2827 -32.784 -36.925 -35.342 1.00 0.00 WATA O ATOM 12281 H1 TIP3A2827 -33.479 -36.206 -35.385 1.00 0.00 WATA H ATOM 12282 H2 TIP3A2827 -33.230 -37.818 -35.300 1.00 0.00 WATA H ATOM 12283 OH2 TIP3A2828 -14.787 36.781 -25.885 1.00 0.00 WATA O ATOM 12284 H1 TIP3A2828 -15.534 36.204 -25.553 1.00 0.00 WATA H ATOM 12285 H2 TIP3A2828 -15.152 37.663 -26.179 1.00 0.00 WATA H ATOM 12286 OH2 TIP3A2829 -30.606 -8.597 -24.927 1.00 0.00 WATA O ATOM 12287 H1 TIP3A2829 -30.820 -7.649 -25.165 1.00 0.00 WATA H ATOM 12288 H2 TIP3A2829 -29.643 -8.667 -24.670 1.00 0.00 WATA H ATOM 12289 OH2 TIP3A2830 42.544 -27.884 52.646 1.00 0.00 WATA O ATOM 12290 H1 TIP3A2830 41.583 -27.651 52.500 1.00 0.00 WATA H ATOM 12291 H2 TIP3A2830 42.725 -28.798 52.285 1.00 0.00 WATA H ATOM 12292 OH2 TIP3A2831 13.686 -47.355 49.338 1.00 0.00 WATA O ATOM 12293 H1 TIP3A2831 14.170 -46.577 49.740 1.00 0.00 WATA H ATOM 12294 H2 TIP3A2831 13.674 -47.263 48.343 1.00 0.00 WATA H ATOM 12295 OH2 TIP3A2832 -41.365 -33.909 -1.222 1.00 0.00 WATA O ATOM 12296 H1 TIP3A2832 -41.063 -33.253 -0.530 1.00 0.00 WATA H ATOM 12297 H2 TIP3A2832 -40.800 -34.732 -1.171 1.00 0.00 WATA H ATOM 12298 OH2 TIP3A2833 17.407 -21.482 31.636 1.00 0.00 WATA O ATOM 12299 H1 TIP3A2833 17.943 -21.122 30.871 1.00 0.00 WATA H ATOM 12300 H2 TIP3A2833 16.504 -21.757 31.309 1.00 0.00 WATA H ATOM 12301 OH2 TIP3A2834 1.409 17.168 42.821 1.00 0.00 WATA O ATOM 12302 H1 TIP3A2834 0.456 16.868 42.886 1.00 0.00 WATA H ATOM 12303 H2 TIP3A2834 1.623 17.768 43.591 1.00 0.00 WATA H ATOM 12304 OH2 TIP3A2835 -30.211 -42.719 9.026 1.00 0.00 WATA O ATOM 12305 H1 TIP3A2835 -29.620 -43.161 8.350 1.00 0.00 WATA H ATOM 12306 H2 TIP3A2835 -31.073 -43.220 9.094 1.00 0.00 WATA H ATOM 12307 OH2 TIP3A2836 31.889 15.746 43.169 1.00 0.00 WATA O ATOM 12308 H1 TIP3A2836 32.396 16.481 42.718 1.00 0.00 WATA H ATOM 12309 H2 TIP3A2836 31.069 15.532 42.640 1.00 0.00 WATA H ATOM 12310 OH2 TIP3A2837 35.609 -49.506 2.373 1.00 0.00 WATA O ATOM 12311 H1 TIP3A2837 35.143 -48.741 1.928 1.00 0.00 WATA H ATOM 12312 H2 TIP3A2837 36.171 -49.990 1.704 1.00 0.00 WATA H ATOM 12313 OH2 TIP3A2838 16.670 -2.446 28.218 1.00 0.00 WATA O ATOM 12314 H1 TIP3A2838 15.710 -2.184 28.322 1.00 0.00 WATA H ATOM 12315 H2 TIP3A2838 17.249 -1.636 28.308 1.00 0.00 WATA H ATOM 12316 OH2 TIP3A2839 -13.838 -21.873 13.919 1.00 0.00 WATA O ATOM 12317 H1 TIP3A2839 -13.057 -21.667 13.330 1.00 0.00 WATA H ATOM 12318 H2 TIP3A2839 -14.667 -21.474 13.528 1.00 0.00 WATA H ATOM 12319 OH2 TIP3A2840 -41.807 11.669 -43.620 1.00 0.00 WATA O ATOM 12320 H1 TIP3A2840 -41.722 11.766 -42.628 1.00 0.00 WATA H ATOM 12321 H2 TIP3A2840 -42.332 12.436 -43.987 1.00 0.00 WATA H ATOM 12322 OH2 TIP3A2841 11.561 -25.608 37.900 1.00 0.00 WATA O ATOM 12323 H1 TIP3A2841 12.083 -26.457 37.822 1.00 0.00 WATA H ATOM 12324 H2 TIP3A2841 12.159 -24.877 38.226 1.00 0.00 WATA H ATOM 12325 OH2 TIP3A2842 52.180 16.042 46.841 1.00 0.00 WATA O ATOM 12326 H1 TIP3A2842 51.384 16.647 46.823 1.00 0.00 WATA H ATOM 12327 H2 TIP3A2842 51.879 15.091 46.774 1.00 0.00 WATA H ATOM 12328 OH2 TIP3A2843 -35.902 21.003 -0.323 1.00 0.00 WATA O ATOM 12329 H1 TIP3A2843 -36.041 21.785 0.283 1.00 0.00 WATA H ATOM 12330 H2 TIP3A2843 -36.011 21.293 -1.273 1.00 0.00 WATA H ATOM 12331 OH2 TIP3A2844 -10.376 13.902 41.527 1.00 0.00 WATA O ATOM 12332 H1 TIP3A2844 -10.023 13.168 40.946 1.00 0.00 WATA H ATOM 12333 H2 TIP3A2844 -9.647 14.560 41.712 1.00 0.00 WATA H ATOM 12334 OH2 TIP3A2845 7.105 23.214 22.919 1.00 0.00 WATA O ATOM 12335 H1 TIP3A2845 8.094 23.120 23.028 1.00 0.00 WATA H ATOM 12336 H2 TIP3A2845 6.656 23.055 23.798 1.00 0.00 WATA H ATOM 12337 OH2 TIP3A2846 -50.712 52.533 -3.319 1.00 0.00 WATA O ATOM 12338 H1 TIP3A2846 -50.581 52.827 -2.372 1.00 0.00 WATA H ATOM 12339 H2 TIP3A2846 -50.161 51.718 -3.494 1.00 0.00 WATA H ATOM 12340 OH2 TIP3A2847 -41.314 43.228 -10.495 1.00 0.00 WATA O ATOM 12341 H1 TIP3A2847 -40.318 43.312 -10.516 1.00 0.00 WATA H ATOM 12342 H2 TIP3A2847 -41.700 43.968 -9.946 1.00 0.00 WATA H ATOM 12343 OH2 TIP3A2848 45.055 -32.613 -36.537 1.00 0.00 WATA O ATOM 12344 H1 TIP3A2848 44.908 -31.807 -35.962 1.00 0.00 WATA H ATOM 12345 H2 TIP3A2848 45.516 -33.322 -36.005 1.00 0.00 WATA H ATOM 12346 OH2 TIP3A2849 -37.023 51.262 -44.383 1.00 0.00 WATA O ATOM 12347 H1 TIP3A2849 -36.860 52.135 -43.923 1.00 0.00 WATA H ATOM 12348 H2 TIP3A2849 -36.216 51.012 -44.918 1.00 0.00 WATA H ATOM 12349 OH2 TIP3A2850 5.587 -26.029 19.321 1.00 0.00 WATA O ATOM 12350 H1 TIP3A2850 4.813 -25.406 19.200 1.00 0.00 WATA H ATOM 12351 H2 TIP3A2850 5.311 -26.792 19.905 1.00 0.00 WATA H ATOM 12352 OH2 TIP3A2851 48.626 40.765 -17.791 1.00 0.00 WATA O ATOM 12353 H1 TIP3A2851 48.292 39.950 -18.266 1.00 0.00 WATA H ATOM 12354 H2 TIP3A2851 47.869 41.403 -17.651 1.00 0.00 WATA H ATOM 12355 OH2 TIP3A2852 27.144 16.600 -5.462 1.00 0.00 WATA O ATOM 12356 H1 TIP3A2852 26.616 16.505 -4.617 1.00 0.00 WATA H ATOM 12357 H2 TIP3A2852 27.788 15.840 -5.539 1.00 0.00 WATA H ATOM 12358 OH2 TIP3A2853 12.060 -29.297 48.180 1.00 0.00 WATA O ATOM 12359 H1 TIP3A2853 11.289 -28.661 48.234 1.00 0.00 WATA H ATOM 12360 H2 TIP3A2853 12.913 -28.801 48.339 1.00 0.00 WATA H ATOM 12361 OH2 TIP3A2854 -41.800 4.170 7.456 1.00 0.00 WATA O ATOM 12362 H1 TIP3A2854 -42.515 4.843 7.264 1.00 0.00 WATA H ATOM 12363 H2 TIP3A2854 -41.080 4.242 6.766 1.00 0.00 WATA H ATOM 12364 OH2 TIP3A2855 42.704 -46.470 -38.495 1.00 0.00 WATA O ATOM 12365 H1 TIP3A2855 43.587 -46.342 -38.948 1.00 0.00 WATA H ATOM 12366 H2 TIP3A2855 42.847 -46.607 -37.516 1.00 0.00 WATA H ATOM 12367 OH2 TIP3A2856 -24.647 47.815 49.996 1.00 0.00 WATA O ATOM 12368 H1 TIP3A2856 -24.316 48.757 49.934 1.00 0.00 WATA H ATOM 12369 H2 TIP3A2856 -24.055 47.218 49.455 1.00 0.00 WATA H ATOM 12370 OH2 TIP3A2857 -14.943 20.512 10.633 1.00 0.00 WATA O ATOM 12371 H1 TIP3A2857 -15.594 19.788 10.864 1.00 0.00 WATA H ATOM 12372 H2 TIP3A2857 -14.011 20.167 10.737 1.00 0.00 WATA H ATOM 12373 OH2 TIP3A2858 46.395 52.379 44.990 1.00 0.00 WATA O ATOM 12374 H1 TIP3A2858 46.415 53.339 44.709 1.00 0.00 WATA H ATOM 12375 H2 TIP3A2858 47.232 52.160 45.490 1.00 0.00 WATA H ATOM 12376 OH2 TIP3A2859 25.907 0.526 16.489 1.00 0.00 WATA O ATOM 12377 H1 TIP3A2859 25.222 1.022 15.954 1.00 0.00 WATA H ATOM 12378 H2 TIP3A2859 25.485 0.167 17.320 1.00 0.00 WATA H ATOM 12379 OH2 TIP3A2860 -4.080 40.798 -35.553 1.00 0.00 WATA O ATOM 12380 H1 TIP3A2860 -4.003 41.350 -36.384 1.00 0.00 WATA H ATOM 12381 H2 TIP3A2860 -3.291 40.970 -34.965 1.00 0.00 WATA H ATOM 12382 OH2 TIP3A2861 32.358 -36.247 41.196 1.00 0.00 WATA O ATOM 12383 H1 TIP3A2861 32.784 -35.477 41.672 1.00 0.00 WATA H ATOM 12384 H2 TIP3A2861 31.388 -36.289 41.431 1.00 0.00 WATA H ATOM 12385 OH2 TIP3A2862 -18.579 29.526 -12.966 1.00 0.00 WATA O ATOM 12386 H1 TIP3A2862 -19.354 29.666 -12.348 1.00 0.00 WATA H ATOM 12387 H2 TIP3A2862 -17.812 30.096 -12.673 1.00 0.00 WATA H ATOM 12388 OH2 TIP3A2863 -4.188 11.585 -31.869 1.00 0.00 WATA O ATOM 12389 H1 TIP3A2863 -4.980 11.009 -31.667 1.00 0.00 WATA H ATOM 12390 H2 TIP3A2863 -3.498 11.467 -31.156 1.00 0.00 WATA H ATOM 12391 OH2 TIP3A2864 -9.867 50.958 8.189 1.00 0.00 WATA O ATOM 12392 H1 TIP3A2864 -10.795 50.593 8.118 1.00 0.00 WATA H ATOM 12393 H2 TIP3A2864 -9.210 50.204 8.188 1.00 0.00 WATA H ATOM 12394 OH2 TIP3A2865 -49.449 -4.893 30.642 1.00 0.00 WATA O ATOM 12395 H1 TIP3A2865 -50.434 -5.061 30.626 1.00 0.00 WATA H ATOM 12396 H2 TIP3A2865 -48.988 -5.653 31.099 1.00 0.00 WATA H ATOM 12397 OH2 TIP3A2866 -16.284 -11.797 -3.712 1.00 0.00 WATA O ATOM 12398 H1 TIP3A2866 -17.275 -11.737 -3.590 1.00 0.00 WATA H ATOM 12399 H2 TIP3A2866 -15.953 -12.661 -3.335 1.00 0.00 WATA H ATOM 12400 OH2 TIP3A2867 -49.528 9.874 -38.842 1.00 0.00 WATA O ATOM 12401 H1 TIP3A2867 -49.254 10.817 -39.031 1.00 0.00 WATA H ATOM 12402 H2 TIP3A2867 -50.429 9.869 -38.409 1.00 0.00 WATA H ATOM 12403 OH2 TIP3A2868 28.460 -35.042 29.034 1.00 0.00 WATA O ATOM 12404 H1 TIP3A2868 27.978 -34.389 28.449 1.00 0.00 WATA H ATOM 12405 H2 TIP3A2868 27.813 -35.464 29.667 1.00 0.00 WATA H ATOM 12406 OH2 TIP3A2869 -2.442 -49.129 5.611 1.00 0.00 WATA O ATOM 12407 H1 TIP3A2869 -3.052 -48.570 5.050 1.00 0.00 WATA H ATOM 12408 H2 TIP3A2869 -2.075 -49.878 5.060 1.00 0.00 WATA H ATOM 12409 OH2 TIP3A2870 -16.128 -6.967 -52.837 1.00 0.00 WATA O ATOM 12410 H1 TIP3A2870 -16.566 -6.070 -52.900 1.00 0.00 WATA H ATOM 12411 H2 TIP3A2870 -15.147 -6.851 -52.687 1.00 0.00 WATA H ATOM 12412 OH2 TIP3A2871 9.944 -0.360 -37.098 1.00 0.00 WATA O ATOM 12413 H1 TIP3A2871 9.683 -0.578 -38.038 1.00 0.00 WATA H ATOM 12414 H2 TIP3A2871 10.693 0.301 -37.104 1.00 0.00 WATA H ATOM 12415 OH2 TIP3A2872 32.711 28.342 -19.500 1.00 0.00 WATA O ATOM 12416 H1 TIP3A2872 32.496 27.866 -20.354 1.00 0.00 WATA H ATOM 12417 H2 TIP3A2872 33.700 28.333 -19.354 1.00 0.00 WATA H ATOM 12418 OH2 TIP3A2873 -15.635 19.722 6.785 1.00 0.00 WATA O ATOM 12419 H1 TIP3A2873 -16.115 18.852 6.897 1.00 0.00 WATA H ATOM 12420 H2 TIP3A2873 -14.806 19.720 7.342 1.00 0.00 WATA H ATOM 12421 OH2 TIP3A2874 -28.148 22.989 24.260 1.00 0.00 WATA O ATOM 12422 H1 TIP3A2874 -27.302 23.523 24.256 1.00 0.00 WATA H ATOM 12423 H2 TIP3A2874 -27.928 22.014 24.270 1.00 0.00 WATA H ATOM 12424 OH2 TIP3A2875 -47.340 -9.974 32.133 1.00 0.00 WATA O ATOM 12425 H1 TIP3A2875 -47.334 -9.640 31.190 1.00 0.00 WATA H ATOM 12426 H2 TIP3A2875 -47.226 -10.966 32.136 1.00 0.00 WATA H ATOM 12427 OH2 TIP3A2876 -30.967 -20.730 -28.304 1.00 0.00 WATA O ATOM 12428 H1 TIP3A2876 -30.549 -21.581 -27.987 1.00 0.00 WATA H ATOM 12429 H2 TIP3A2876 -30.535 -19.954 -27.844 1.00 0.00 WATA H ATOM 12430 OH2 TIP3A2877 41.756 43.492 -33.464 1.00 0.00 WATA O ATOM 12431 H1 TIP3A2877 42.134 44.372 -33.751 1.00 0.00 WATA H ATOM 12432 H2 TIP3A2877 42.448 42.779 -33.577 1.00 0.00 WATA H ATOM 12433 OH2 TIP3A2878 14.736 -32.206 6.622 1.00 0.00 WATA O ATOM 12434 H1 TIP3A2878 15.127 -32.573 5.777 1.00 0.00 WATA H ATOM 12435 H2 TIP3A2878 14.972 -32.806 7.386 1.00 0.00 WATA H ATOM 12436 OH2 TIP3A2879 41.580 52.231 -27.418 1.00 0.00 WATA O ATOM 12437 H1 TIP3A2879 41.809 53.201 -27.344 1.00 0.00 WATA H ATOM 12438 H2 TIP3A2879 41.842 51.894 -28.322 1.00 0.00 WATA H ATOM 12439 OH2 TIP3A2880 36.037 48.328 -51.322 1.00 0.00 WATA O ATOM 12440 H1 TIP3A2880 35.998 48.779 -50.431 1.00 0.00 WATA H ATOM 12441 H2 TIP3A2880 35.511 47.479 -51.290 1.00 0.00 WATA H ATOM 12442 OH2 TIP3A2881 40.830 6.983 -51.538 1.00 0.00 WATA O ATOM 12443 H1 TIP3A2881 40.551 7.876 -51.183 1.00 0.00 WATA H ATOM 12444 H2 TIP3A2881 40.026 6.397 -51.635 1.00 0.00 WATA H ATOM 12445 OH2 TIP3A2882 0.748 4.776 -46.733 1.00 0.00 WATA O ATOM 12446 H1 TIP3A2882 0.015 4.381 -47.287 1.00 0.00 WATA H ATOM 12447 H2 TIP3A2882 0.444 5.648 -46.351 1.00 0.00 WATA H ATOM 12448 OH2 TIP3A2883 -47.615 7.384 9.578 1.00 0.00 WATA O ATOM 12449 H1 TIP3A2883 -47.854 8.298 9.907 1.00 0.00 WATA H ATOM 12450 H2 TIP3A2883 -46.622 7.307 9.498 1.00 0.00 WATA H ATOM 12451 OH2 TIP3A2884 19.492 28.162 -44.206 1.00 0.00 WATA O ATOM 12452 H1 TIP3A2884 20.171 28.800 -43.840 1.00 0.00 WATA H ATOM 12453 H2 TIP3A2884 19.042 27.686 -43.451 1.00 0.00 WATA H ATOM 12454 OH2 TIP3A2885 -27.552 10.531 3.885 1.00 0.00 WATA O ATOM 12455 H1 TIP3A2885 -27.530 11.251 3.191 1.00 0.00 WATA H ATOM 12456 H2 TIP3A2885 -26.617 10.300 4.155 1.00 0.00 WATA H ATOM 12457 OH2 TIP3A2886 -42.765 49.798 25.850 1.00 0.00 WATA O ATOM 12458 H1 TIP3A2886 -41.889 50.280 25.876 1.00 0.00 WATA H ATOM 12459 H2 TIP3A2886 -42.604 48.812 25.866 1.00 0.00 WATA H ATOM 12460 OH2 TIP3A2887 32.015 -31.485 -39.187 1.00 0.00 WATA O ATOM 12461 H1 TIP3A2887 32.403 -30.598 -39.438 1.00 0.00 WATA H ATOM 12462 H2 TIP3A2887 31.019 -31.446 -39.260 1.00 0.00 WATA H ATOM 12463 OH2 TIP3A2888 49.864 24.019 -3.021 1.00 0.00 WATA O ATOM 12464 H1 TIP3A2888 50.601 24.695 -3.042 1.00 0.00 WATA H ATOM 12465 H2 TIP3A2888 49.747 23.625 -3.932 1.00 0.00 WATA H ATOM 12466 OH2 TIP3A2889 24.104 45.976 -22.131 1.00 0.00 WATA O ATOM 12467 H1 TIP3A2889 24.854 45.421 -22.491 1.00 0.00 WATA H ATOM 12468 H2 TIP3A2889 24.477 46.776 -21.661 1.00 0.00 WATA H ATOM 12469 OH2 TIP3A2890 33.696 31.883 -39.577 1.00 0.00 WATA O ATOM 12470 H1 TIP3A2890 32.977 32.578 -39.579 1.00 0.00 WATA H ATOM 12471 H2 TIP3A2890 33.284 30.977 -39.480 1.00 0.00 WATA H ATOM 12472 OH2 TIP3A2891 -7.087 -36.770 6.713 1.00 0.00 WATA O ATOM 12473 H1 TIP3A2891 -7.269 -35.921 7.210 1.00 0.00 WATA H ATOM 12474 H2 TIP3A2891 -6.135 -37.041 6.853 1.00 0.00 WATA H ATOM 12475 OH2 TIP3A2892 45.332 -21.073 8.546 1.00 0.00 WATA O ATOM 12476 H1 TIP3A2892 45.851 -20.234 8.384 1.00 0.00 WATA H ATOM 12477 H2 TIP3A2892 45.923 -21.752 8.981 1.00 0.00 WATA H ATOM 12478 OH2 TIP3A2893 15.411 -3.700 48.186 1.00 0.00 WATA O ATOM 12479 H1 TIP3A2893 16.365 -3.868 47.939 1.00 0.00 WATA H ATOM 12480 H2 TIP3A2893 14.816 -4.292 47.642 1.00 0.00 WATA H ATOM 12481 OH2 TIP3A2894 -35.384 -20.633 36.824 1.00 0.00 WATA O ATOM 12482 H1 TIP3A2894 -35.951 -19.986 37.334 1.00 0.00 WATA H ATOM 12483 H2 TIP3A2894 -34.421 -20.480 37.045 1.00 0.00 WATA H ATOM 12484 OH2 TIP3A2895 -49.084 48.903 5.210 1.00 0.00 WATA O ATOM 12485 H1 TIP3A2895 -48.986 49.166 4.250 1.00 0.00 WATA H ATOM 12486 H2 TIP3A2895 -49.957 48.435 5.341 1.00 0.00 WATA H ATOM 12487 OH2 TIP3A2896 -16.133 28.917 14.880 1.00 0.00 WATA O ATOM 12488 H1 TIP3A2896 -16.260 27.925 14.881 1.00 0.00 WATA H ATOM 12489 H2 TIP3A2896 -17.024 29.368 14.873 1.00 0.00 WATA H ATOM 12490 OH2 TIP3A2897 43.465 -28.170 6.153 1.00 0.00 WATA O ATOM 12491 H1 TIP3A2897 43.420 -27.699 7.034 1.00 0.00 WATA H ATOM 12492 H2 TIP3A2897 43.851 -27.556 5.466 1.00 0.00 WATA H ATOM 12493 OH2 TIP3A2898 -14.025 15.232 28.815 1.00 0.00 WATA O ATOM 12494 H1 TIP3A2898 -14.069 14.268 28.552 1.00 0.00 WATA H ATOM 12495 H2 TIP3A2898 -13.221 15.385 29.389 1.00 0.00 WATA H ATOM 12496 OH2 TIP3A2899 51.991 15.368 10.691 1.00 0.00 WATA O ATOM 12497 H1 TIP3A2899 51.700 16.294 10.451 1.00 0.00 WATA H ATOM 12498 H2 TIP3A2899 51.797 14.749 9.931 1.00 0.00 WATA H ATOM 12499 OH2 TIP3A2900 -23.053 -19.677 -49.679 1.00 0.00 WATA O ATOM 12500 H1 TIP3A2900 -22.851 -18.775 -49.297 1.00 0.00 WATA H ATOM 12501 H2 TIP3A2900 -23.754 -19.592 -50.386 1.00 0.00 WATA H ATOM 12502 OH2 TIP3A2901 29.597 -16.020 -41.898 1.00 0.00 WATA O ATOM 12503 H1 TIP3A2901 28.724 -15.622 -42.182 1.00 0.00 WATA H ATOM 12504 H2 TIP3A2901 29.983 -15.479 -41.152 1.00 0.00 WATA H ATOM 12505 OH2 TIP3A2902 -17.027 43.925 4.979 1.00 0.00 WATA O ATOM 12506 H1 TIP3A2902 -16.361 43.274 5.342 1.00 0.00 WATA H ATOM 12507 H2 TIP3A2902 -17.639 44.219 5.712 1.00 0.00 WATA H ATOM 12508 OH2 TIP3A2903 -32.466 22.433 -7.743 1.00 0.00 WATA O ATOM 12509 H1 TIP3A2903 -33.078 21.843 -8.271 1.00 0.00 WATA H ATOM 12510 H2 TIP3A2903 -31.794 22.848 -8.355 1.00 0.00 WATA H ATOM 12511 OH2 TIP3A2904 -41.876 11.607 6.170 1.00 0.00 WATA O ATOM 12512 H1 TIP3A2904 -40.908 11.832 6.053 1.00 0.00 WATA H ATOM 12513 H2 TIP3A2904 -42.138 11.747 7.124 1.00 0.00 WATA H ATOM 12514 OH2 TIP3A2905 9.592 -18.213 30.778 1.00 0.00 WATA O ATOM 12515 H1 TIP3A2905 9.417 -17.510 30.089 1.00 0.00 WATA H ATOM 12516 H2 TIP3A2905 8.826 -18.249 31.419 1.00 0.00 WATA H ATOM 12517 OH2 TIP3A2906 -2.081 48.243 -24.916 1.00 0.00 WATA O ATOM 12518 H1 TIP3A2906 -1.083 48.185 -24.931 1.00 0.00 WATA H ATOM 12519 H2 TIP3A2906 -2.470 47.322 -24.938 1.00 0.00 WATA H ATOM 12520 OH2 TIP3A2907 22.767 52.859 51.258 1.00 0.00 WATA O ATOM 12521 H1 TIP3A2907 22.704 51.878 51.439 1.00 0.00 WATA H ATOM 12522 H2 TIP3A2907 22.090 53.345 51.810 1.00 0.00 WATA H ATOM 12523 OH2 TIP3A2908 27.013 -38.350 -37.722 1.00 0.00 WATA O ATOM 12524 H1 TIP3A2908 28.006 -38.236 -37.759 1.00 0.00 WATA H ATOM 12525 H2 TIP3A2908 26.794 -39.297 -37.487 1.00 0.00 WATA H ATOM 12526 OH2 TIP3A2909 23.158 12.970 -8.000 1.00 0.00 WATA O ATOM 12527 H1 TIP3A2909 23.812 12.610 -8.665 1.00 0.00 WATA H ATOM 12528 H2 TIP3A2909 23.426 13.896 -7.736 1.00 0.00 WATA H ATOM 12529 OH2 TIP3A2910 10.583 -25.014 43.683 1.00 0.00 WATA O ATOM 12530 H1 TIP3A2910 10.322 -24.068 43.878 1.00 0.00 WATA H ATOM 12531 H2 TIP3A2910 11.572 -25.066 43.550 1.00 0.00 WATA H ATOM 12532 OH2 TIP3A2911 50.789 -26.971 52.380 1.00 0.00 WATA O ATOM 12533 H1 TIP3A2911 51.000 -27.923 52.158 1.00 0.00 WATA H ATOM 12534 H2 TIP3A2911 50.986 -26.802 53.345 1.00 0.00 WATA H ATOM 12535 OH2 TIP3A2912 9.376 0.817 -20.121 1.00 0.00 WATA O ATOM 12536 H1 TIP3A2912 8.406 0.580 -20.176 1.00 0.00 WATA H ATOM 12537 H2 TIP3A2912 9.513 1.742 -20.475 1.00 0.00 WATA H ATOM 12538 OH2 TIP3A2913 -45.906 -1.538 -32.436 1.00 0.00 WATA O ATOM 12539 H1 TIP3A2913 -46.468 -1.847 -31.669 1.00 0.00 WATA H ATOM 12540 H2 TIP3A2913 -44.980 -1.345 -32.114 1.00 0.00 WATA H ATOM 12541 OH2 TIP3A2914 50.216 -47.251 32.776 1.00 0.00 WATA O ATOM 12542 H1 TIP3A2914 50.295 -47.674 33.679 1.00 0.00 WATA H ATOM 12543 H2 TIP3A2914 49.494 -46.560 32.793 1.00 0.00 WATA H ATOM 12544 OH2 TIP3A2915 -7.674 9.523 -33.744 1.00 0.00 WATA O ATOM 12545 H1 TIP3A2915 -7.910 8.790 -34.382 1.00 0.00 WATA H ATOM 12546 H2 TIP3A2915 -8.510 9.957 -33.411 1.00 0.00 WATA H ATOM 12547 OH2 TIP3A2916 -14.099 -28.476 -1.382 1.00 0.00 WATA O ATOM 12548 H1 TIP3A2916 -13.386 -28.037 -1.929 1.00 0.00 WATA H ATOM 12549 H2 TIP3A2916 -14.470 -27.818 -0.728 1.00 0.00 WATA H ATOM 12550 OH2 TIP3A2917 30.033 -6.382 38.124 1.00 0.00 WATA O ATOM 12551 H1 TIP3A2917 29.068 -6.144 38.238 1.00 0.00 WATA H ATOM 12552 H2 TIP3A2917 30.181 -7.325 38.421 1.00 0.00 WATA H ATOM 12553 OH2 TIP3A2918 13.727 26.125 35.545 1.00 0.00 WATA O ATOM 12554 H1 TIP3A2918 14.199 25.243 35.530 1.00 0.00 WATA H ATOM 12555 H2 TIP3A2918 14.362 26.839 35.837 1.00 0.00 WATA H ATOM 12556 OH2 TIP3A2919 45.480 -35.178 -32.399 1.00 0.00 WATA O ATOM 12557 H1 TIP3A2919 46.270 -35.070 -31.795 1.00 0.00 WATA H ATOM 12558 H2 TIP3A2919 44.821 -35.800 -31.978 1.00 0.00 WATA H ATOM 12559 OH2 TIP3A2920 -37.123 19.943 38.166 1.00 0.00 WATA O ATOM 12560 H1 TIP3A2920 -37.675 20.710 38.496 1.00 0.00 WATA H ATOM 12561 H2 TIP3A2920 -37.368 19.115 38.669 1.00 0.00 WATA H ATOM 12562 OH2 TIP3A2921 37.598 -45.066 17.429 1.00 0.00 WATA O ATOM 12563 H1 TIP3A2921 37.092 -44.366 16.926 1.00 0.00 WATA H ATOM 12564 H2 TIP3A2921 37.287 -45.972 17.146 1.00 0.00 WATA H ATOM 12565 OH2 TIP3A2922 -16.754 -19.829 -8.236 1.00 0.00 WATA O ATOM 12566 H1 TIP3A2922 -16.801 -20.100 -7.275 1.00 0.00 WATA H ATOM 12567 H2 TIP3A2922 -15.848 -19.455 -8.434 1.00 0.00 WATA H ATOM 12568 OH2 TIP3A2923 -11.839 -36.283 12.356 1.00 0.00 WATA O ATOM 12569 H1 TIP3A2923 -12.101 -37.249 12.375 1.00 0.00 WATA H ATOM 12570 H2 TIP3A2923 -12.486 -35.773 11.791 1.00 0.00 WATA H ATOM 12571 OH2 TIP3A2924 -11.236 -17.096 -37.456 1.00 0.00 WATA O ATOM 12572 H1 TIP3A2924 -11.378 -18.086 -37.465 1.00 0.00 WATA H ATOM 12573 H2 TIP3A2924 -10.257 -16.898 -37.472 1.00 0.00 WATA H ATOM 12574 OH2 TIP3A2925 -0.035 -14.123 -41.605 1.00 0.00 WATA O ATOM 12575 H1 TIP3A2925 -0.741 -14.796 -41.383 1.00 0.00 WATA H ATOM 12576 H2 TIP3A2925 -0.221 -13.728 -42.505 1.00 0.00 WATA H ATOM 12577 OH2 TIP3A2926 51.628 -13.144 -3.154 1.00 0.00 WATA O ATOM 12578 H1 TIP3A2926 51.581 -13.844 -3.867 1.00 0.00 WATA H ATOM 12579 H2 TIP3A2926 52.569 -13.062 -2.829 1.00 0.00 WATA H ATOM 12580 OH2 TIP3A2927 -49.635 30.786 -11.191 1.00 0.00 WATA O ATOM 12581 H1 TIP3A2927 -50.620 30.641 -11.101 1.00 0.00 WATA H ATOM 12582 H2 TIP3A2927 -49.464 31.696 -11.567 1.00 0.00 WATA H ATOM 12583 OH2 TIP3A2928 -21.838 46.350 -51.972 1.00 0.00 WATA O ATOM 12584 H1 TIP3A2928 -21.212 47.129 -51.932 1.00 0.00 WATA H ATOM 12585 H2 TIP3A2928 -22.612 46.574 -52.563 1.00 0.00 WATA H ATOM 12586 OH2 TIP3A2929 -36.330 -47.888 2.894 1.00 0.00 WATA O ATOM 12587 H1 TIP3A2929 -35.367 -48.020 2.659 1.00 0.00 WATA H ATOM 12588 H2 TIP3A2929 -36.671 -48.697 3.371 1.00 0.00 WATA H ATOM 12589 OH2 TIP3A2930 34.518 -37.925 -30.273 1.00 0.00 WATA O ATOM 12590 H1 TIP3A2930 35.017 -38.358 -29.522 1.00 0.00 WATA H ATOM 12591 H2 TIP3A2930 33.537 -37.952 -30.083 1.00 0.00 WATA H ATOM 12592 OH2 TIP3A2931 -52.224 53.050 11.053 1.00 0.00 WATA O ATOM 12593 H1 TIP3A2931 -52.146 53.345 10.101 1.00 0.00 WATA H ATOM 12594 H2 TIP3A2931 -51.358 52.647 11.349 1.00 0.00 WATA H ATOM 12595 OH2 TIP3A2932 -23.569 8.517 37.661 1.00 0.00 WATA O ATOM 12596 H1 TIP3A2932 -23.429 9.507 37.682 1.00 0.00 WATA H ATOM 12597 H2 TIP3A2932 -22.683 8.054 37.671 1.00 0.00 WATA H ATOM 12598 OH2 TIP3A2933 -6.071 -7.664 -41.469 1.00 0.00 WATA O ATOM 12599 H1 TIP3A2933 -5.242 -8.169 -41.229 1.00 0.00 WATA H ATOM 12600 H2 TIP3A2933 -6.832 -8.303 -41.574 1.00 0.00 WATA H ATOM 12601 OH2 TIP3A2934 27.961 -43.353 9.615 1.00 0.00 WATA O ATOM 12602 H1 TIP3A2934 27.124 -43.233 9.081 1.00 0.00 WATA H ATOM 12603 H2 TIP3A2934 27.895 -42.825 10.461 1.00 0.00 WATA H ATOM 12604 OH2 TIP3A2935 -29.123 -39.408 15.953 1.00 0.00 WATA O ATOM 12605 H1 TIP3A2935 -28.126 -39.347 15.988 1.00 0.00 WATA H ATOM 12606 H2 TIP3A2935 -29.401 -39.855 15.104 1.00 0.00 WATA H ATOM 12607 OH2 TIP3A2936 22.294 1.474 21.327 1.00 0.00 WATA O ATOM 12608 H1 TIP3A2936 21.664 1.703 20.585 1.00 0.00 WATA H ATOM 12609 H2 TIP3A2936 23.211 1.335 20.955 1.00 0.00 WATA H ATOM 12610 OH2 TIP3A2937 17.929 -42.924 23.764 1.00 0.00 WATA O ATOM 12611 H1 TIP3A2937 17.766 -43.910 23.805 1.00 0.00 WATA H ATOM 12612 H2 TIP3A2937 17.062 -42.448 23.617 1.00 0.00 WATA H ATOM 12613 OH2 TIP3A2938 43.739 37.739 27.901 1.00 0.00 WATA O ATOM 12614 H1 TIP3A2938 43.163 37.116 28.430 1.00 0.00 WATA H ATOM 12615 H2 TIP3A2938 44.298 38.286 28.523 1.00 0.00 WATA H ATOM 12616 OH2 TIP3A2939 27.420 48.988 33.717 1.00 0.00 WATA O ATOM 12617 H1 TIP3A2939 28.056 49.511 33.149 1.00 0.00 WATA H ATOM 12618 H2 TIP3A2939 26.899 48.358 33.142 1.00 0.00 WATA H ATOM 12619 OH2 TIP3A2940 -51.929 48.909 1.572 1.00 0.00 WATA O ATOM 12620 H1 TIP3A2940 -51.131 48.320 1.447 1.00 0.00 WATA H ATOM 12621 H2 TIP3A2940 -52.434 48.620 2.384 1.00 0.00 WATA H ATOM 12622 OH2 TIP3A2941 43.537 -2.065 2.660 1.00 0.00 WATA O ATOM 12623 H1 TIP3A2941 44.237 -2.335 1.999 1.00 0.00 WATA H ATOM 12624 H2 TIP3A2941 43.204 -2.873 3.144 1.00 0.00 WATA H ATOM 12625 OH2 TIP3A2942 21.260 -27.680 -50.262 1.00 0.00 WATA O ATOM 12626 H1 TIP3A2942 20.983 -26.725 -50.157 1.00 0.00 WATA H ATOM 12627 H2 TIP3A2942 20.448 -28.255 -50.355 1.00 0.00 WATA H ATOM 12628 OH2 TIP3A2943 -36.982 4.528 -8.158 1.00 0.00 WATA O ATOM 12629 H1 TIP3A2943 -36.056 4.881 -8.024 1.00 0.00 WATA H ATOM 12630 H2 TIP3A2943 -37.620 5.293 -8.253 1.00 0.00 WATA H ATOM 12631 OH2 TIP3A2944 28.737 23.780 -48.927 1.00 0.00 WATA O ATOM 12632 H1 TIP3A2944 29.326 24.586 -48.860 1.00 0.00 WATA H ATOM 12633 H2 TIP3A2944 29.302 22.962 -49.027 1.00 0.00 WATA H ATOM 12634 OH2 TIP3A2945 -22.200 3.379 32.247 1.00 0.00 WATA O ATOM 12635 H1 TIP3A2945 -21.519 3.191 31.540 1.00 0.00 WATA H ATOM 12636 H2 TIP3A2945 -22.404 2.538 32.746 1.00 0.00 WATA H ATOM 12637 OH2 TIP3A2946 -14.740 -21.769 43.146 1.00 0.00 WATA O ATOM 12638 H1 TIP3A2946 -13.831 -22.089 43.414 1.00 0.00 WATA H ATOM 12639 H2 TIP3A2946 -14.668 -21.219 42.314 1.00 0.00 WATA H ATOM 12640 OH2 TIP3A2947 -24.393 -42.938 -32.123 1.00 0.00 WATA O ATOM 12641 H1 TIP3A2947 -24.362 -43.764 -32.686 1.00 0.00 WATA H ATOM 12642 H2 TIP3A2947 -23.581 -42.383 -32.302 1.00 0.00 WATA H ATOM 12643 OH2 TIP3A2948 50.182 -4.064 51.701 1.00 0.00 WATA O ATOM 12644 H1 TIP3A2948 50.421 -4.536 52.550 1.00 0.00 WATA H ATOM 12645 H2 TIP3A2948 49.216 -3.810 51.720 1.00 0.00 WATA H ATOM 12646 OH2 TIP3A2949 -18.536 4.886 -38.999 1.00 0.00 WATA O ATOM 12647 H1 TIP3A2949 -19.421 4.975 -38.542 1.00 0.00 WATA H ATOM 12648 H2 TIP3A2949 -18.528 5.451 -39.823 1.00 0.00 WATA H ATOM 12649 OH2 TIP3A2950 47.330 36.331 -48.836 1.00 0.00 WATA O ATOM 12650 H1 TIP3A2950 48.105 36.883 -48.529 1.00 0.00 WATA H ATOM 12651 H2 TIP3A2950 46.522 36.911 -48.927 1.00 0.00 WATA H ATOM 12652 OH2 TIP3A2951 5.042 30.165 -12.403 1.00 0.00 WATA O ATOM 12653 H1 TIP3A2951 5.609 29.379 -12.651 1.00 0.00 WATA H ATOM 12654 H2 TIP3A2951 5.625 30.962 -12.249 1.00 0.00 WATA H ATOM 12655 OH2 TIP3A2952 -50.326 38.734 -12.569 1.00 0.00 WATA O ATOM 12656 H1 TIP3A2952 -50.058 37.820 -12.264 1.00 0.00 WATA H ATOM 12657 H2 TIP3A2952 -50.851 39.185 -11.849 1.00 0.00 WATA H ATOM 12658 OH2 TIP3A2953 34.149 20.872 16.832 1.00 0.00 WATA O ATOM 12659 H1 TIP3A2953 35.111 21.048 16.626 1.00 0.00 WATA H ATOM 12660 H2 TIP3A2953 33.774 21.636 17.357 1.00 0.00 WATA H ATOM 12661 OH2 TIP3A2954 -24.052 -37.738 -34.843 1.00 0.00 WATA O ATOM 12662 H1 TIP3A2954 -23.335 -37.041 -34.864 1.00 0.00 WATA H ATOM 12663 H2 TIP3A2954 -24.696 -37.533 -34.107 1.00 0.00 WATA H ATOM 12664 OH2 TIP3A2955 31.107 37.150 22.156 1.00 0.00 WATA O ATOM 12665 H1 TIP3A2955 30.812 37.835 22.823 1.00 0.00 WATA H ATOM 12666 H2 TIP3A2955 30.306 36.693 21.771 1.00 0.00 WATA H ATOM 12667 OH2 TIP3A2956 41.796 17.066 -7.273 1.00 0.00 WATA O ATOM 12668 H1 TIP3A2956 41.386 17.976 -7.333 1.00 0.00 WATA H ATOM 12669 H2 TIP3A2956 41.095 16.373 -7.441 1.00 0.00 WATA H ATOM 12670 OH2 TIP3A2957 -45.123 -5.930 32.666 1.00 0.00 WATA O ATOM 12671 H1 TIP3A2957 -45.860 -5.320 32.956 1.00 0.00 WATA H ATOM 12672 H2 TIP3A2957 -44.261 -5.425 32.643 1.00 0.00 WATA H ATOM 12673 OH2 TIP3A2958 -13.301 -24.817 -34.542 1.00 0.00 WATA O ATOM 12674 H1 TIP3A2958 -13.488 -25.766 -34.796 1.00 0.00 WATA H ATOM 12675 H2 TIP3A2958 -14.066 -24.239 -34.823 1.00 0.00 WATA H ATOM 12676 OH2 TIP3A2959 6.137 -5.493 -25.132 1.00 0.00 WATA O ATOM 12677 H1 TIP3A2959 6.374 -6.400 -25.482 1.00 0.00 WATA H ATOM 12678 H2 TIP3A2959 5.158 -5.333 -25.257 1.00 0.00 WATA H ATOM 12679 OH2 TIP3A2960 24.392 14.328 -4.691 1.00 0.00 WATA O ATOM 12680 H1 TIP3A2960 24.808 15.208 -4.459 1.00 0.00 WATA H ATOM 12681 H2 TIP3A2960 25.108 13.674 -4.934 1.00 0.00 WATA H ATOM 12682 OH2 TIP3A2961 -8.283 2.495 42.699 1.00 0.00 WATA O ATOM 12683 H1 TIP3A2961 -8.666 3.233 43.255 1.00 0.00 WATA H ATOM 12684 H2 TIP3A2961 -7.369 2.266 43.034 1.00 0.00 WATA H ATOM 12685 OH2 TIP3A2962 -41.489 26.567 2.488 1.00 0.00 WATA O ATOM 12686 H1 TIP3A2962 -42.126 27.114 3.031 1.00 0.00 WATA H ATOM 12687 H2 TIP3A2962 -41.041 27.150 1.811 1.00 0.00 WATA H ATOM 12688 OH2 TIP3A2963 -11.023 4.882 -36.878 1.00 0.00 WATA O ATOM 12689 H1 TIP3A2963 -11.696 5.567 -36.598 1.00 0.00 WATA H ATOM 12690 H2 TIP3A2963 -10.323 5.315 -37.447 1.00 0.00 WATA H ATOM 12691 OH2 TIP3A2964 -49.397 2.699 -48.986 1.00 0.00 WATA O ATOM 12692 H1 TIP3A2964 -49.044 2.896 -49.901 1.00 0.00 WATA H ATOM 12693 H2 TIP3A2964 -48.635 2.492 -48.373 1.00 0.00 WATA H ATOM 12694 OH2 TIP3A2965 -10.095 -14.389 37.017 1.00 0.00 WATA O ATOM 12695 H1 TIP3A2965 -10.012 -15.386 37.032 1.00 0.00 WATA H ATOM 12696 H2 TIP3A2965 -9.187 -13.980 36.938 1.00 0.00 WATA H ATOM 12697 OH2 TIP3A2966 -40.122 7.024 -29.158 1.00 0.00 WATA O ATOM 12698 H1 TIP3A2966 -39.583 7.588 -28.533 1.00 0.00 WATA H ATOM 12699 H2 TIP3A2966 -39.698 7.031 -30.063 1.00 0.00 WATA H ATOM 12700 OH2 TIP3A2967 -33.840 16.907 -48.432 1.00 0.00 WATA O ATOM 12701 H1 TIP3A2967 -33.222 17.689 -48.516 1.00 0.00 WATA H ATOM 12702 H2 TIP3A2967 -34.775 17.232 -48.299 1.00 0.00 WATA H ATOM 12703 OH2 TIP3A2968 -52.747 10.372 -46.805 1.00 0.00 WATA O ATOM 12704 H1 TIP3A2968 -53.093 10.341 -45.867 1.00 0.00 WATA H ATOM 12705 H2 TIP3A2968 -53.173 11.134 -47.293 1.00 0.00 WATA H ATOM 12706 OH2 TIP3A2969 41.284 39.403 -10.433 1.00 0.00 WATA O ATOM 12707 H1 TIP3A2969 41.246 39.944 -9.592 1.00 0.00 WATA H ATOM 12708 H2 TIP3A2969 40.852 38.516 -10.278 1.00 0.00 WATA H ATOM 12709 OH2 TIP3A2970 -34.520 -8.506 44.746 1.00 0.00 WATA O ATOM 12710 H1 TIP3A2970 -35.124 -8.586 43.953 1.00 0.00 WATA H ATOM 12711 H2 TIP3A2970 -34.885 -7.822 45.376 1.00 0.00 WATA H ATOM 12712 OH2 TIP3A2971 -37.459 23.120 -2.909 1.00 0.00 WATA O ATOM 12713 H1 TIP3A2971 -37.689 24.085 -3.033 1.00 0.00 WATA H ATOM 12714 H2 TIP3A2971 -37.613 22.628 -3.765 1.00 0.00 WATA H ATOM 12715 OH2 TIP3A2972 5.724 -42.187 -5.249 1.00 0.00 WATA O ATOM 12716 H1 TIP3A2972 5.913 -43.139 -5.493 1.00 0.00 WATA H ATOM 12717 H2 TIP3A2972 6.528 -41.627 -5.445 1.00 0.00 WATA H ATOM 12718 OH2 TIP3A2973 36.076 -52.367 30.045 1.00 0.00 WATA O ATOM 12719 H1 TIP3A2973 36.913 -52.783 29.689 1.00 0.00 WATA H ATOM 12720 H2 TIP3A2973 36.200 -51.378 30.119 1.00 0.00 WATA H ATOM 12721 OH2 TIP3A2974 23.221 -32.885 14.220 1.00 0.00 WATA O ATOM 12722 H1 TIP3A2974 22.938 -31.952 14.442 1.00 0.00 WATA H ATOM 12723 H2 TIP3A2974 22.414 -33.440 14.020 1.00 0.00 WATA H ATOM 12724 OH2 TIP3A2975 -29.458 -16.710 48.342 1.00 0.00 WATA O ATOM 12725 H1 TIP3A2975 -29.506 -17.563 47.821 1.00 0.00 WATA H ATOM 12726 H2 TIP3A2975 -29.765 -16.873 49.279 1.00 0.00 WATA H ATOM 12727 OH2 TIP3A2976 36.953 46.144 3.734 1.00 0.00 WATA O ATOM 12728 H1 TIP3A2976 37.758 46.217 4.324 1.00 0.00 WATA H ATOM 12729 H2 TIP3A2976 36.718 47.047 3.377 1.00 0.00 WATA H ATOM 12730 OH2 TIP3A2977 -8.358 -51.779 27.429 1.00 0.00 WATA O ATOM 12731 H1 TIP3A2977 -7.487 -51.324 27.616 1.00 0.00 WATA H ATOM 12732 H2 TIP3A2977 -8.979 -51.139 26.978 1.00 0.00 WATA H ATOM 12733 OH2 TIP3A2978 -2.656 -23.537 -37.061 1.00 0.00 WATA O ATOM 12734 H1 TIP3A2978 -3.161 -22.674 -37.036 1.00 0.00 WATA H ATOM 12735 H2 TIP3A2978 -1.675 -23.349 -37.072 1.00 0.00 WATA H ATOM 12736 OH2 TIP3A2979 -45.450 -26.810 50.798 1.00 0.00 WATA O ATOM 12737 H1 TIP3A2979 -46.207 -27.133 50.230 1.00 0.00 WATA H ATOM 12738 H2 TIP3A2979 -45.518 -25.820 50.913 1.00 0.00 WATA H ATOM 12739 OH2 TIP3A2980 26.922 16.320 -37.555 1.00 0.00 WATA O ATOM 12740 H1 TIP3A2980 27.683 16.920 -37.801 1.00 0.00 WATA H ATOM 12741 H2 TIP3A2980 26.085 16.860 -37.469 1.00 0.00 WATA H ATOM 12742 OH2 TIP3A2981 10.839 -43.553 -29.535 1.00 0.00 WATA O ATOM 12743 H1 TIP3A2981 9.882 -43.266 -29.488 1.00 0.00 WATA H ATOM 12744 H2 TIP3A2981 11.425 -42.748 -29.614 1.00 0.00 WATA H ATOM 12745 OH2 TIP3A2982 46.157 -19.839 -52.326 1.00 0.00 WATA O ATOM 12746 H1 TIP3A2982 45.168 -19.968 -52.247 1.00 0.00 WATA H ATOM 12747 H2 TIP3A2982 46.439 -19.064 -51.761 1.00 0.00 WATA H ATOM 12748 OH2 TIP3A2983 -6.454 39.860 53.116 1.00 0.00 WATA O ATOM 12749 H1 TIP3A2983 -5.870 39.081 53.345 1.00 0.00 WATA H ATOM 12750 H2 TIP3A2983 -7.410 39.570 53.109 1.00 0.00 WATA H ATOM 12751 OH2 TIP3A2984 37.330 27.557 22.339 1.00 0.00 WATA O ATOM 12752 H1 TIP3A2984 36.630 28.182 21.995 1.00 0.00 WATA H ATOM 12753 H2 TIP3A2984 38.161 28.070 22.551 1.00 0.00 WATA H ATOM 12754 OH2 TIP3A2985 21.837 -51.136 -22.516 1.00 0.00 WATA O ATOM 12755 H1 TIP3A2985 22.127 -50.180 -22.468 1.00 0.00 WATA H ATOM 12756 H2 TIP3A2985 22.065 -51.598 -21.660 1.00 0.00 WATA H ATOM 12757 OH2 TIP3A2986 -36.574 30.106 -34.862 1.00 0.00 WATA O ATOM 12758 H1 TIP3A2986 -36.943 31.034 -34.809 1.00 0.00 WATA H ATOM 12759 H2 TIP3A2986 -37.143 29.555 -35.471 1.00 0.00 WATA H ATOM 12760 OH2 TIP3A2987 -27.922 -32.630 -53.345 1.00 0.00 WATA O ATOM 12761 H1 TIP3A2987 -28.195 -33.537 -53.023 1.00 0.00 WATA H ATOM 12762 H2 TIP3A2987 -28.120 -31.951 -52.638 1.00 0.00 WATA H ATOM 12763 OH2 TIP3A2988 2.803 -45.001 12.793 1.00 0.00 WATA O ATOM 12764 H1 TIP3A2988 2.308 -44.192 12.476 1.00 0.00 WATA H ATOM 12765 H2 TIP3A2988 3.283 -44.786 13.643 1.00 0.00 WATA H ATOM 12766 OH2 TIP3A2989 11.304 -41.817 26.167 1.00 0.00 WATA O ATOM 12767 H1 TIP3A2989 10.863 -41.031 26.602 1.00 0.00 WATA H ATOM 12768 H2 TIP3A2989 11.710 -41.533 25.299 1.00 0.00 WATA H ATOM 12769 OH2 TIP3A2990 -35.814 -34.078 -42.378 1.00 0.00 WATA O ATOM 12770 H1 TIP3A2990 -35.365 -33.249 -42.045 1.00 0.00 WATA H ATOM 12771 H2 TIP3A2990 -35.859 -34.055 -43.377 1.00 0.00 WATA H ATOM 12772 OH2 TIP3A2991 -23.239 13.648 42.592 1.00 0.00 WATA O ATOM 12773 H1 TIP3A2991 -22.518 14.324 42.438 1.00 0.00 WATA H ATOM 12774 H2 TIP3A2991 -22.827 12.773 42.847 1.00 0.00 WATA H ATOM 12775 OH2 TIP3A2992 2.164 -53.252 -37.575 1.00 0.00 WATA O ATOM 12776 H1 TIP3A2992 1.169 -53.345 -37.629 1.00 0.00 WATA H ATOM 12777 H2 TIP3A2992 2.406 -52.284 -37.517 1.00 0.00 WATA H ATOM 12778 OH2 TIP3A2993 53.345 50.481 -16.202 1.00 0.00 WATA O ATOM 12779 H1 TIP3A2993 53.320 50.142 -17.142 1.00 0.00 WATA H ATOM 12780 H2 TIP3A2993 52.678 49.981 -15.649 1.00 0.00 WATA H ATOM 12781 OH2 TIP3A2994 47.662 -18.650 -15.159 1.00 0.00 WATA O ATOM 12782 H1 TIP3A2994 47.089 -19.404 -15.481 1.00 0.00 WATA H ATOM 12783 H2 TIP3A2994 47.772 -17.978 -15.891 1.00 0.00 WATA H ATOM 12784 OH2 TIP3A2995 47.870 -23.747 20.720 1.00 0.00 WATA O ATOM 12785 H1 TIP3A2995 48.005 -24.634 20.279 1.00 0.00 WATA H ATOM 12786 H2 TIP3A2995 48.602 -23.590 21.383 1.00 0.00 WATA H ATOM 12787 OH2 TIP3A2996 50.752 -3.376 -15.457 1.00 0.00 WATA O ATOM 12788 H1 TIP3A2996 51.310 -4.127 -15.105 1.00 0.00 WATA H ATOM 12789 H2 TIP3A2996 50.881 -3.298 -16.445 1.00 0.00 WATA H ATOM 12790 OH2 TIP3A2997 35.725 49.461 -30.950 1.00 0.00 WATA O ATOM 12791 H1 TIP3A2997 35.729 50.401 -31.290 1.00 0.00 WATA H ATOM 12792 H2 TIP3A2997 35.580 48.831 -31.713 1.00 0.00 WATA H ATOM 12793 OH2 TIP3A2998 -51.427 23.466 0.048 1.00 0.00 WATA O ATOM 12794 H1 TIP3A2998 -50.759 23.008 0.635 1.00 0.00 WATA H ATOM 12795 H2 TIP3A2998 -51.878 22.790 -0.533 1.00 0.00 WATA H ATOM 12796 OH2 TIP3A2999 -6.316 -41.807 16.877 1.00 0.00 WATA O ATOM 12797 H1 TIP3A2999 -7.279 -41.995 17.070 1.00 0.00 WATA H ATOM 12798 H2 TIP3A2999 -5.918 -42.581 16.385 1.00 0.00 WATA H ATOM 12799 OH2 TIP3A3000 -9.324 22.409 24.073 1.00 0.00 WATA O ATOM 12800 H1 TIP3A3000 -9.115 21.938 24.930 1.00 0.00 WATA H ATOM 12801 H2 TIP3A3000 -8.473 22.620 23.592 1.00 0.00 WATA H ATOM 12802 OH2 TIP3A3001 14.076 53.345 43.007 1.00 0.00 WATA O ATOM 12803 H1 TIP3A3001 13.707 52.972 43.858 1.00 0.00 WATA H ATOM 12804 H2 TIP3A3001 14.488 52.609 42.470 1.00 0.00 WATA H ATOM 12805 OH2 TIP3A3002 35.944 -10.977 32.022 1.00 0.00 WATA O ATOM 12806 H1 TIP3A3002 35.854 -11.643 32.763 1.00 0.00 WATA H ATOM 12807 H2 TIP3A3002 35.378 -11.260 31.248 1.00 0.00 WATA H ATOM 12808 OH2 TIP3A3003 4.937 0.877 -31.097 1.00 0.00 WATA O ATOM 12809 H1 TIP3A3003 4.568 1.440 -30.357 1.00 0.00 WATA H ATOM 12810 H2 TIP3A3003 5.705 0.338 -30.755 1.00 0.00 WATA H ATOM 12811 OH2 TIP3A3004 53.216 -2.095 40.661 1.00 0.00 WATA O ATOM 12812 H1 TIP3A3004 53.337 -2.614 41.507 1.00 0.00 WATA H ATOM 12813 H2 TIP3A3004 53.345 -1.121 40.845 1.00 0.00 WATA H ATOM 12814 OH2 TIP3A3005 0.581 -40.534 48.622 1.00 0.00 WATA O ATOM 12815 H1 TIP3A3005 0.566 -39.534 48.588 1.00 0.00 WATA H ATOM 12816 H2 TIP3A3005 -0.355 -40.881 48.650 1.00 0.00 WATA H ATOM 12817 OH2 TIP3A3006 6.045 -10.707 -38.445 1.00 0.00 WATA O ATOM 12818 H1 TIP3A3006 6.311 -11.669 -38.520 1.00 0.00 WATA H ATOM 12819 H2 TIP3A3006 5.055 -10.625 -38.552 1.00 0.00 WATA H ATOM 12820 OH2 TIP3A3007 30.150 24.373 35.794 1.00 0.00 WATA O ATOM 12821 H1 TIP3A3007 30.006 23.422 35.519 1.00 0.00 WATA H ATOM 12822 H2 TIP3A3007 29.280 24.774 36.079 1.00 0.00 WATA H ATOM 12823 OH2 TIP3A3008 17.896 -46.700 5.360 1.00 0.00 WATA O ATOM 12824 H1 TIP3A3008 18.283 -45.821 5.079 1.00 0.00 WATA H ATOM 12825 H2 TIP3A3008 18.459 -47.095 6.086 1.00 0.00 WATA H ATOM 12826 OH2 TIP3A3009 -50.960 -46.473 -42.313 1.00 0.00 WATA O ATOM 12827 H1 TIP3A3009 -50.350 -47.264 -42.357 1.00 0.00 WATA H ATOM 12828 H2 TIP3A3009 -50.418 -45.635 -42.269 1.00 0.00 WATA H ATOM 12829 OH2 TIP3A3010 49.030 37.887 2.442 1.00 0.00 WATA O ATOM 12830 H1 TIP3A3010 48.877 36.949 2.133 1.00 0.00 WATA H ATOM 12831 H2 TIP3A3010 49.963 37.976 2.789 1.00 0.00 WATA H ATOM 12832 OH2 TIP3A3011 43.597 -21.158 -33.486 1.00 0.00 WATA O ATOM 12833 H1 TIP3A3011 42.893 -20.509 -33.776 1.00 0.00 WATA H ATOM 12834 H2 TIP3A3011 44.471 -20.912 -33.906 1.00 0.00 WATA H ATOM 12835 OH2 TIP3A3012 16.327 -40.706 44.400 1.00 0.00 WATA O ATOM 12836 H1 TIP3A3012 15.852 -41.558 44.623 1.00 0.00 WATA H ATOM 12837 H2 TIP3A3012 15.656 -40.000 44.174 1.00 0.00 WATA H ATOM 12838 OH2 TIP3A3013 -1.990 -12.827 -36.788 1.00 0.00 WATA O ATOM 12839 H1 TIP3A3013 -2.708 -13.523 -36.769 1.00 0.00 WATA H ATOM 12840 H2 TIP3A3013 -1.192 -13.186 -37.271 1.00 0.00 WATA H ATOM 12841 OH2 TIP3A3014 35.184 -43.880 32.004 1.00 0.00 WATA O ATOM 12842 H1 TIP3A3014 34.965 -44.403 32.828 1.00 0.00 WATA H ATOM 12843 H2 TIP3A3014 34.372 -43.385 31.697 1.00 0.00 WATA H ATOM 12844 OH2 TIP3A3015 -49.957 -2.003 0.434 1.00 0.00 WATA O ATOM 12845 H1 TIP3A3015 -50.943 -1.841 0.479 1.00 0.00 WATA H ATOM 12846 H2 TIP3A3015 -49.672 -2.062 -0.522 1.00 0.00 WATA H ATOM 12847 OH2 TIP3A3016 -13.983 -9.357 22.481 1.00 0.00 WATA O ATOM 12848 H1 TIP3A3016 -13.558 -9.264 23.381 1.00 0.00 WATA H ATOM 12849 H2 TIP3A3016 -14.935 -9.641 22.588 1.00 0.00 WATA H ATOM 12850 OH2 TIP3A3017 28.930 -34.843 12.303 1.00 0.00 WATA O ATOM 12851 H1 TIP3A3017 29.325 -34.199 11.648 1.00 0.00 WATA H ATOM 12852 H2 TIP3A3017 29.653 -35.214 12.884 1.00 0.00 WATA H ATOM 12853 OH2 TIP3A3018 -14.513 40.400 -47.620 1.00 0.00 WATA O ATOM 12854 H1 TIP3A3018 -14.488 39.410 -47.755 1.00 0.00 WATA H ATOM 12855 H2 TIP3A3018 -14.205 40.619 -46.695 1.00 0.00 WATA H ATOM 12856 OH2 TIP3A3019 7.821 16.301 17.539 1.00 0.00 WATA O ATOM 12857 H1 TIP3A3019 7.644 17.284 17.490 1.00 0.00 WATA H ATOM 12858 H2 TIP3A3019 7.127 15.866 18.112 1.00 0.00 WATA H ATOM 12859 OH2 TIP3A3020 45.036 -15.429 1.645 1.00 0.00 WATA O ATOM 12860 H1 TIP3A3020 45.280 -16.167 1.016 1.00 0.00 WATA H ATOM 12861 H2 TIP3A3020 44.224 -14.955 1.304 1.00 0.00 WATA H ATOM 12862 OH2 TIP3A3021 -22.339 -20.773 -33.355 1.00 0.00 WATA O ATOM 12863 H1 TIP3A3021 -22.653 -19.989 -33.890 1.00 0.00 WATA H ATOM 12864 H2 TIP3A3021 -22.825 -20.797 -32.482 1.00 0.00 WATA H ATOM 12865 OH2 TIP3A3022 8.883 27.769 -27.670 1.00 0.00 WATA O ATOM 12866 H1 TIP3A3022 9.105 28.522 -28.290 1.00 0.00 WATA H ATOM 12867 H2 TIP3A3022 8.615 26.967 -28.203 1.00 0.00 WATA H ATOM 12868 OH2 TIP3A3023 -28.812 -49.528 18.788 1.00 0.00 WATA O ATOM 12869 H1 TIP3A3023 -28.116 -49.241 18.130 1.00 0.00 WATA H ATOM 12870 H2 TIP3A3023 -29.055 -50.482 18.620 1.00 0.00 WATA H ATOM 12871 OH2 TIP3A3024 52.774 -33.742 -24.564 1.00 0.00 WATA O ATOM 12872 H1 TIP3A3024 53.345 -32.922 -24.602 1.00 0.00 WATA H ATOM 12873 H2 TIP3A3024 53.345 -34.536 -24.357 1.00 0.00 WATA H ATOM 12874 OH2 TIP3A3025 21.634 -7.293 35.142 1.00 0.00 WATA O ATOM 12875 H1 TIP3A3025 22.008 -7.153 34.225 1.00 0.00 WATA H ATOM 12876 H2 TIP3A3025 21.675 -8.264 35.374 1.00 0.00 WATA H ATOM 12877 OH2 TIP3A3026 28.862 -28.501 -14.770 1.00 0.00 WATA O ATOM 12878 H1 TIP3A3026 28.946 -27.935 -15.591 1.00 0.00 WATA H ATOM 12879 H2 TIP3A3026 29.769 -28.671 -14.388 1.00 0.00 WATA H ATOM 12880 OH2 TIP3A3027 25.478 44.664 5.913 1.00 0.00 WATA O ATOM 12881 H1 TIP3A3027 24.537 44.990 5.815 1.00 0.00 WATA H ATOM 12882 H2 TIP3A3027 25.471 43.722 6.248 1.00 0.00 WATA H ATOM 12883 OH2 TIP3A3028 46.342 -28.435 -23.481 1.00 0.00 WATA O ATOM 12884 H1 TIP3A3028 45.444 -28.871 -23.419 1.00 0.00 WATA H ATOM 12885 H2 TIP3A3028 46.963 -29.023 -23.999 1.00 0.00 WATA H ATOM 12886 OH2 TIP3A3029 24.804 -47.558 -45.861 1.00 0.00 WATA O ATOM 12887 H1 TIP3A3029 24.705 -47.204 -46.791 1.00 0.00 WATA H ATOM 12888 H2 TIP3A3029 25.544 -48.229 -45.836 1.00 0.00 WATA H ATOM 12889 OH2 TIP3A3030 -12.266 28.298 31.806 1.00 0.00 WATA O ATOM 12890 H1 TIP3A3030 -13.183 27.925 31.943 1.00 0.00 WATA H ATOM 12891 H2 TIP3A3030 -12.227 29.230 32.167 1.00 0.00 WATA H ATOM 12892 OH2 TIP3A3031 32.129 -20.099 40.662 1.00 0.00 WATA O ATOM 12893 H1 TIP3A3031 31.587 -20.393 39.874 1.00 0.00 WATA H ATOM 12894 H2 TIP3A3031 31.664 -19.344 41.123 1.00 0.00 WATA H ATOM 12895 OH2 TIP3A3032 40.020 7.178 -33.728 1.00 0.00 WATA O ATOM 12896 H1 TIP3A3032 39.105 6.868 -33.989 1.00 0.00 WATA H ATOM 12897 H2 TIP3A3032 39.971 8.120 -33.399 1.00 0.00 WATA H ATOM 12898 OH2 TIP3A3033 -23.527 29.367 -35.794 1.00 0.00 WATA O ATOM 12899 H1 TIP3A3033 -22.888 30.134 -35.858 1.00 0.00 WATA H ATOM 12900 H2 TIP3A3033 -23.493 28.833 -36.638 1.00 0.00 WATA H ATOM 12901 OH2 TIP3A3034 52.209 -30.866 17.814 1.00 0.00 WATA O ATOM 12902 H1 TIP3A3034 51.380 -30.337 17.996 1.00 0.00 WATA H ATOM 12903 H2 TIP3A3034 52.164 -31.735 18.307 1.00 0.00 WATA H ATOM 12904 OH2 TIP3A3035 0.718 11.372 30.263 1.00 0.00 WATA O ATOM 12905 H1 TIP3A3035 1.595 11.685 29.897 1.00 0.00 WATA H ATOM 12906 H2 TIP3A3035 -0.028 11.796 29.750 1.00 0.00 WATA H ATOM 12907 OH2 TIP3A3036 -52.484 51.175 1.094 1.00 0.00 WATA O ATOM 12908 H1 TIP3A3036 -53.284 50.576 1.095 1.00 0.00 WATA H ATOM 12909 H2 TIP3A3036 -52.781 52.129 1.094 1.00 0.00 WATA H ATOM 12910 OH2 TIP3A3037 1.024 -47.221 -44.119 1.00 0.00 WATA O ATOM 12911 H1 TIP3A3037 1.132 -48.012 -44.721 1.00 0.00 WATA H ATOM 12912 H2 TIP3A3037 1.485 -47.396 -43.250 1.00 0.00 WATA H ATOM 12913 OH2 TIP3A3038 -11.362 -23.944 4.689 1.00 0.00 WATA O ATOM 12914 H1 TIP3A3038 -10.362 -23.930 4.702 1.00 0.00 WATA H ATOM 12915 H2 TIP3A3038 -11.695 -23.357 3.952 1.00 0.00 WATA H ATOM 12916 OH2 TIP3A3039 -32.910 44.526 43.241 1.00 0.00 WATA O ATOM 12917 H1 TIP3A3039 -33.826 44.395 42.862 1.00 0.00 WATA H ATOM 12918 H2 TIP3A3039 -32.261 43.941 42.756 1.00 0.00 WATA H ATOM 12919 OH2 TIP3A3040 34.471 -45.659 1.857 1.00 0.00 WATA O ATOM 12920 H1 TIP3A3040 35.377 -45.426 1.505 1.00 0.00 WATA H ATOM 12921 H2 TIP3A3040 34.320 -46.643 1.767 1.00 0.00 WATA H ATOM 12922 OH2 TIP3A3041 11.606 20.267 -45.060 1.00 0.00 WATA O ATOM 12923 H1 TIP3A3041 10.609 20.340 -45.029 1.00 0.00 WATA H ATOM 12924 H2 TIP3A3041 11.868 19.304 -45.120 1.00 0.00 WATA H ATOM 12925 OH2 TIP3A3042 11.004 36.557 21.868 1.00 0.00 WATA O ATOM 12926 H1 TIP3A3042 10.637 35.630 21.796 1.00 0.00 WATA H ATOM 12927 H2 TIP3A3042 10.257 37.218 21.811 1.00 0.00 WATA H ATOM 12928 OH2 TIP3A3043 26.673 -31.303 29.825 1.00 0.00 WATA O ATOM 12929 H1 TIP3A3043 27.367 -31.496 29.132 1.00 0.00 WATA H ATOM 12930 H2 TIP3A3043 26.721 -31.993 30.547 1.00 0.00 WATA H ATOM 12931 OH2 TIP3A3044 -12.866 -29.790 -41.513 1.00 0.00 WATA O ATOM 12932 H1 TIP3A3044 -12.190 -30.370 -41.967 1.00 0.00 WATA H ATOM 12933 H2 TIP3A3044 -13.575 -29.529 -42.167 1.00 0.00 WATA H ATOM 12934 OH2 TIP3A3045 -9.539 -34.104 -23.287 1.00 0.00 WATA O ATOM 12935 H1 TIP3A3045 -8.850 -34.787 -23.042 1.00 0.00 WATA H ATOM 12936 H2 TIP3A3045 -9.101 -33.348 -23.772 1.00 0.00 WATA H ATOM 12937 OH2 TIP3A3046 -45.683 16.693 31.693 1.00 0.00 WATA O ATOM 12938 H1 TIP3A3046 -45.759 15.737 31.409 1.00 0.00 WATA H ATOM 12939 H2 TIP3A3046 -45.168 17.205 31.006 1.00 0.00 WATA H ATOM 12940 OH2 TIP3A3047 -18.465 13.301 -37.569 1.00 0.00 WATA O ATOM 12941 H1 TIP3A3047 -18.941 13.759 -36.818 1.00 0.00 WATA H ATOM 12942 H2 TIP3A3047 -19.072 12.627 -37.988 1.00 0.00 WATA H ATOM 12943 OH2 TIP3A3048 -22.112 -6.775 14.087 1.00 0.00 WATA O ATOM 12944 H1 TIP3A3048 -22.814 -6.369 14.673 1.00 0.00 WATA H ATOM 12945 H2 TIP3A3048 -22.113 -7.768 14.204 1.00 0.00 WATA H ATOM 12946 OH2 TIP3A3049 -2.859 -19.824 34.196 1.00 0.00 WATA O ATOM 12947 H1 TIP3A3049 -1.896 -19.572 34.097 1.00 0.00 WATA H ATOM 12948 H2 TIP3A3049 -2.945 -20.819 34.207 1.00 0.00 WATA H ATOM 12949 OH2 TIP3A3050 -15.165 2.899 37.919 1.00 0.00 WATA O ATOM 12950 H1 TIP3A3050 -15.811 3.156 37.200 1.00 0.00 WATA H ATOM 12951 H2 TIP3A3050 -15.040 1.907 37.917 1.00 0.00 WATA H ATOM 12952 OH2 TIP3A3051 -17.874 -48.080 -0.853 1.00 0.00 WATA O ATOM 12953 H1 TIP3A3051 -17.757 -48.941 -1.348 1.00 0.00 WATA H ATOM 12954 H2 TIP3A3051 -18.417 -48.241 -0.029 1.00 0.00 WATA H ATOM 12955 OH2 TIP3A3052 -12.509 19.294 47.663 1.00 0.00 WATA O ATOM 12956 H1 TIP3A3052 -11.703 19.881 47.748 1.00 0.00 WATA H ATOM 12957 H2 TIP3A3052 -13.332 19.859 47.638 1.00 0.00 WATA H ATOM 12958 OH2 TIP3A3053 25.331 34.966 1.705 1.00 0.00 WATA O ATOM 12959 H1 TIP3A3053 25.140 34.240 1.045 1.00 0.00 WATA H ATOM 12960 H2 TIP3A3053 24.688 35.719 1.568 1.00 0.00 WATA H ATOM 12961 OH2 TIP3A3054 39.644 37.464 1.464 1.00 0.00 WATA O ATOM 12962 H1 TIP3A3054 39.089 38.296 1.422 1.00 0.00 WATA H ATOM 12963 H2 TIP3A3054 40.611 37.711 1.520 1.00 0.00 WATA H ATOM 12964 OH2 TIP3A3055 -33.138 -35.540 -24.824 1.00 0.00 WATA O ATOM 12965 H1 TIP3A3055 -32.539 -36.299 -24.569 1.00 0.00 WATA H ATOM 12966 H2 TIP3A3055 -33.208 -35.490 -25.820 1.00 0.00 WATA H ATOM 12967 OH2 TIP3A3056 23.962 -52.352 -9.472 1.00 0.00 WATA O ATOM 12968 H1 TIP3A3056 23.115 -52.840 -9.685 1.00 0.00 WATA H ATOM 12969 H2 TIP3A3056 24.031 -51.537 -10.047 1.00 0.00 WATA H ATOM 12970 OH2 TIP3A3057 1.505 18.752 -42.604 1.00 0.00 WATA O ATOM 12971 H1 TIP3A3057 1.014 18.209 -41.922 1.00 0.00 WATA H ATOM 12972 H2 TIP3A3057 2.276 18.225 -42.957 1.00 0.00 WATA H ATOM 12973 OH2 TIP3A3058 36.012 -26.876 31.866 1.00 0.00 WATA O ATOM 12974 H1 TIP3A3058 35.602 -26.072 31.435 1.00 0.00 WATA H ATOM 12975 H2 TIP3A3058 35.705 -26.940 32.815 1.00 0.00 WATA H ATOM 12976 OH2 TIP3A3059 36.935 2.882 4.661 1.00 0.00 WATA O ATOM 12977 H1 TIP3A3059 37.931 2.811 4.616 1.00 0.00 WATA H ATOM 12978 H2 TIP3A3059 36.536 2.515 3.821 1.00 0.00 WATA H ATOM 12979 OH2 TIP3A3060 -6.618 -45.864 -3.721 1.00 0.00 WATA O ATOM 12980 H1 TIP3A3060 -6.978 -46.361 -4.511 1.00 0.00 WATA H ATOM 12981 H2 TIP3A3060 -6.794 -46.388 -2.889 1.00 0.00 WATA H ATOM 12982 OH2 TIP3A3061 -9.225 -30.401 1.461 1.00 0.00 WATA O ATOM 12983 H1 TIP3A3061 -9.185 -29.788 2.250 1.00 0.00 WATA H ATOM 12984 H2 TIP3A3061 -8.465 -30.201 0.844 1.00 0.00 WATA H ATOM 12985 OH2 TIP3A3062 -23.574 0.585 35.751 1.00 0.00 WATA O ATOM 12986 H1 TIP3A3062 -23.179 -0.295 36.016 1.00 0.00 WATA H ATOM 12987 H2 TIP3A3062 -24.563 0.487 35.641 1.00 0.00 WATA H ATOM 12988 OH2 TIP3A3063 19.822 42.270 -33.482 1.00 0.00 WATA O ATOM 12989 H1 TIP3A3063 19.416 42.875 -34.168 1.00 0.00 WATA H ATOM 12990 H2 TIP3A3063 19.212 41.496 -33.318 1.00 0.00 WATA H ATOM 12991 OH2 TIP3A3064 -52.666 4.793 -17.420 1.00 0.00 WATA O ATOM 12992 H1 TIP3A3064 -52.310 5.694 -17.666 1.00 0.00 WATA H ATOM 12993 H2 TIP3A3064 -52.018 4.332 -16.815 1.00 0.00 WATA H ATOM 12994 OH2 TIP3A3065 21.218 42.847 -39.262 1.00 0.00 WATA O ATOM 12995 H1 TIP3A3065 21.813 42.231 -39.779 1.00 0.00 WATA H ATOM 12996 H2 TIP3A3065 21.750 43.307 -38.552 1.00 0.00 WATA H ATOM 12997 OH2 TIP3A3066 17.872 -17.965 44.692 1.00 0.00 WATA O ATOM 12998 H1 TIP3A3066 17.169 -18.658 44.856 1.00 0.00 WATA H ATOM 12999 H2 TIP3A3066 17.584 -17.096 45.093 1.00 0.00 WATA H ATOM 13000 OH2 TIP3A3067 10.022 2.764 28.911 1.00 0.00 WATA O ATOM 13001 H1 TIP3A3067 10.634 3.376 29.412 1.00 0.00 WATA H ATOM 13002 H2 TIP3A3067 10.160 2.885 27.928 1.00 0.00 WATA H ATOM 13003 OH2 TIP3A3068 47.084 27.278 43.499 1.00 0.00 WATA O ATOM 13004 H1 TIP3A3068 46.437 27.984 43.787 1.00 0.00 WATA H ATOM 13005 H2 TIP3A3068 46.949 27.077 42.530 1.00 0.00 WATA H ATOM 13006 OH2 TIP3A3069 -14.744 -49.133 4.250 1.00 0.00 WATA O ATOM 13007 H1 TIP3A3069 -14.382 -50.013 3.942 1.00 0.00 WATA H ATOM 13008 H2 TIP3A3069 -15.641 -49.270 4.669 1.00 0.00 WATA H ATOM 13009 OH2 TIP3A3070 49.097 -33.878 28.943 1.00 0.00 WATA O ATOM 13010 H1 TIP3A3070 50.095 -33.826 28.971 1.00 0.00 WATA H ATOM 13011 H2 TIP3A3070 48.813 -34.834 28.886 1.00 0.00 WATA H ATOM 13012 OH2 TIP3A3071 25.422 41.769 0.213 1.00 0.00 WATA O ATOM 13013 H1 TIP3A3071 25.382 41.804 -0.786 1.00 0.00 WATA H ATOM 13014 H2 TIP3A3071 26.021 41.021 0.496 1.00 0.00 WATA H ATOM 13015 OH2 TIP3A3072 47.103 -17.760 30.259 1.00 0.00 WATA O ATOM 13016 H1 TIP3A3072 47.087 -18.436 29.522 1.00 0.00 WATA H ATOM 13017 H2 TIP3A3072 47.728 -18.063 30.977 1.00 0.00 WATA H ATOM 13018 OH2 TIP3A3073 20.591 36.330 -29.261 1.00 0.00 WATA O ATOM 13019 H1 TIP3A3073 20.134 35.545 -28.844 1.00 0.00 WATA H ATOM 13020 H2 TIP3A3073 21.580 36.185 -29.251 1.00 0.00 WATA H ATOM 13021 OH2 TIP3A3074 25.868 8.083 -29.169 1.00 0.00 WATA O ATOM 13022 H1 TIP3A3074 24.954 7.687 -29.083 1.00 0.00 WATA H ATOM 13023 H2 TIP3A3074 25.801 8.993 -29.576 1.00 0.00 WATA H ATOM 13024 OH2 TIP3A3075 5.649 0.581 -43.913 1.00 0.00 WATA O ATOM 13025 H1 TIP3A3075 6.615 0.740 -44.119 1.00 0.00 WATA H ATOM 13026 H2 TIP3A3075 5.444 -0.392 -44.009 1.00 0.00 WATA H ATOM 13027 OH2 TIP3A3076 -31.586 -8.124 8.128 1.00 0.00 WATA O ATOM 13028 H1 TIP3A3076 -31.326 -7.279 7.662 1.00 0.00 WATA H ATOM 13029 H2 TIP3A3076 -30.764 -8.613 8.417 1.00 0.00 WATA H ATOM 13030 OH2 TIP3A3077 39.510 36.180 34.073 1.00 0.00 WATA O ATOM 13031 H1 TIP3A3077 39.047 37.067 34.076 1.00 0.00 WATA H ATOM 13032 H2 TIP3A3077 38.829 35.449 34.037 1.00 0.00 WATA H ATOM 13033 OH2 TIP3A3078 -38.179 30.983 -11.182 1.00 0.00 WATA O ATOM 13034 H1 TIP3A3078 -38.923 31.058 -10.519 1.00 0.00 WATA H ATOM 13035 H2 TIP3A3078 -38.212 30.086 -11.621 1.00 0.00 WATA H ATOM 13036 OH2 TIP3A3079 -50.979 -42.245 -4.922 1.00 0.00 WATA O ATOM 13037 H1 TIP3A3079 -50.340 -42.872 -5.368 1.00 0.00 WATA H ATOM 13038 H2 TIP3A3079 -50.655 -41.306 -5.030 1.00 0.00 WATA H ATOM 13039 OH2 TIP3A3080 -40.295 5.241 -45.028 1.00 0.00 WATA O ATOM 13040 H1 TIP3A3080 -40.387 4.330 -44.625 1.00 0.00 WATA H ATOM 13041 H2 TIP3A3080 -41.200 5.647 -45.146 1.00 0.00 WATA H ATOM 13042 OH2 TIP3A3081 50.890 -44.039 25.583 1.00 0.00 WATA O ATOM 13043 H1 TIP3A3081 51.108 -43.074 25.731 1.00 0.00 WATA H ATOM 13044 H2 TIP3A3081 51.725 -44.584 25.652 1.00 0.00 WATA H ATOM 13045 OH2 TIP3A3082 26.821 18.130 42.497 1.00 0.00 WATA O ATOM 13046 H1 TIP3A3082 25.937 18.507 42.222 1.00 0.00 WATA H ATOM 13047 H2 TIP3A3082 27.531 18.824 42.380 1.00 0.00 WATA H ATOM 13048 OH2 TIP3A3083 20.025 -28.808 4.346 1.00 0.00 WATA O ATOM 13049 H1 TIP3A3083 20.237 -28.520 5.280 1.00 0.00 WATA H ATOM 13050 H2 TIP3A3083 19.318 -28.214 3.966 1.00 0.00 WATA H ATOM 13051 OH2 TIP3A3084 -4.363 31.552 2.861 1.00 0.00 WATA O ATOM 13052 H1 TIP3A3084 -3.522 31.103 3.164 1.00 0.00 WATA H ATOM 13053 H2 TIP3A3084 -4.187 32.524 2.709 1.00 0.00 WATA H ATOM 13054 OH2 TIP3A3085 -7.274 8.906 -39.578 1.00 0.00 WATA O ATOM 13055 H1 TIP3A3085 -6.683 8.168 -39.903 1.00 0.00 WATA H ATOM 13056 H2 TIP3A3085 -8.215 8.575 -39.509 1.00 0.00 WATA H ATOM 13057 OH2 TIP3A3086 -3.663 32.517 -35.802 1.00 0.00 WATA O ATOM 13058 H1 TIP3A3086 -4.285 31.755 -35.619 1.00 0.00 WATA H ATOM 13059 H2 TIP3A3086 -2.729 32.171 -35.887 1.00 0.00 WATA H ATOM 13060 OH2 TIP3A3087 -4.746 -33.000 14.952 1.00 0.00 WATA O ATOM 13061 H1 TIP3A3087 -4.458 -32.051 15.079 1.00 0.00 WATA H ATOM 13062 H2 TIP3A3087 -5.160 -33.339 15.797 1.00 0.00 WATA H ATOM 13063 OH2 TIP3A3088 19.676 -34.625 24.163 1.00 0.00 WATA O ATOM 13064 H1 TIP3A3088 19.725 -33.651 23.939 1.00 0.00 WATA H ATOM 13065 H2 TIP3A3088 20.584 -34.955 24.419 1.00 0.00 WATA H ATOM 13066 OH2 TIP3A3089 -29.295 -44.629 -23.404 1.00 0.00 WATA O ATOM 13067 H1 TIP3A3089 -30.128 -44.932 -23.866 1.00 0.00 WATA H ATOM 13068 H2 TIP3A3089 -29.500 -44.422 -22.448 1.00 0.00 WATA H ATOM 13069 OH2 TIP3A3090 -38.776 36.353 21.455 1.00 0.00 WATA O ATOM 13070 H1 TIP3A3090 -37.866 36.729 21.632 1.00 0.00 WATA H ATOM 13071 H2 TIP3A3090 -38.718 35.358 21.381 1.00 0.00 WATA H ATOM 13072 OH2 TIP3A3091 -2.597 17.199 25.079 1.00 0.00 WATA O ATOM 13073 H1 TIP3A3091 -3.549 17.308 24.794 1.00 0.00 WATA H ATOM 13074 H2 TIP3A3091 -2.436 17.723 25.915 1.00 0.00 WATA H ATOM 13075 OH2 TIP3A3092 -25.249 -51.595 -10.772 1.00 0.00 WATA O ATOM 13076 H1 TIP3A3092 -26.077 -51.773 -10.240 1.00 0.00 WATA H ATOM 13077 H2 TIP3A3092 -25.408 -50.825 -11.389 1.00 0.00 WATA H ATOM 13078 OH2 TIP3A3093 33.417 5.039 -13.264 1.00 0.00 WATA O ATOM 13079 H1 TIP3A3093 33.409 6.034 -13.366 1.00 0.00 WATA H ATOM 13080 H2 TIP3A3093 34.265 4.755 -12.818 1.00 0.00 WATA H ATOM 13081 OH2 TIP3A3094 12.141 -6.057 23.834 1.00 0.00 WATA O ATOM 13082 H1 TIP3A3094 12.054 -7.046 23.716 1.00 0.00 WATA H ATOM 13083 H2 TIP3A3094 13.105 -5.817 23.946 1.00 0.00 WATA H ATOM 13084 OH2 TIP3A3095 -35.289 5.771 29.796 1.00 0.00 WATA O ATOM 13085 H1 TIP3A3095 -34.772 6.003 30.620 1.00 0.00 WATA H ATOM 13086 H2 TIP3A3095 -34.665 5.705 29.018 1.00 0.00 WATA H ATOM 13087 OH2 TIP3A3096 -39.082 -21.001 -48.972 1.00 0.00 WATA O ATOM 13088 H1 TIP3A3096 -38.255 -20.438 -48.971 1.00 0.00 WATA H ATOM 13089 H2 TIP3A3096 -38.831 -21.964 -48.881 1.00 0.00 WATA H ATOM 13090 OH2 TIP3A3097 -49.072 31.789 46.393 1.00 0.00 WATA O ATOM 13091 H1 TIP3A3097 -49.165 32.043 45.430 1.00 0.00 WATA H ATOM 13092 H2 TIP3A3097 -49.228 30.807 46.495 1.00 0.00 WATA H ATOM 13093 OH2 TIP3A3098 -11.638 13.080 -41.972 1.00 0.00 WATA O ATOM 13094 H1 TIP3A3098 -12.399 12.843 -41.368 1.00 0.00 WATA H ATOM 13095 H2 TIP3A3098 -11.545 14.074 -42.019 1.00 0.00 WATA H ATOM 13096 OH2 TIP3A3099 44.651 -25.700 32.040 1.00 0.00 WATA O ATOM 13097 H1 TIP3A3099 43.967 -25.945 32.728 1.00 0.00 WATA H ATOM 13098 H2 TIP3A3099 44.802 -24.712 32.057 1.00 0.00 WATA H ATOM 13099 OH2 TIP3A3100 -17.292 44.388 -20.918 1.00 0.00 WATA O ATOM 13100 H1 TIP3A3100 -17.923 44.802 -20.262 1.00 0.00 WATA H ATOM 13101 H2 TIP3A3100 -16.596 45.055 -21.179 1.00 0.00 WATA H ATOM 13102 OH2 TIP3A3101 15.505 -43.173 46.537 1.00 0.00 WATA O ATOM 13103 H1 TIP3A3101 15.257 -43.518 45.631 1.00 0.00 WATA H ATOM 13104 H2 TIP3A3101 15.017 -42.318 46.713 1.00 0.00 WATA H ATOM 13105 OH2 TIP3A3102 -12.987 39.761 -12.829 1.00 0.00 WATA O ATOM 13106 H1 TIP3A3102 -12.547 39.560 -13.705 1.00 0.00 WATA H ATOM 13107 H2 TIP3A3102 -13.750 40.390 -12.976 1.00 0.00 WATA H ATOM 13108 OH2 TIP3A3103 -0.508 -43.195 -36.674 1.00 0.00 WATA O ATOM 13109 H1 TIP3A3103 -0.708 -44.040 -37.170 1.00 0.00 WATA H ATOM 13110 H2 TIP3A3103 0.268 -43.343 -36.062 1.00 0.00 WATA H ATOM 13111 OH2 TIP3A3104 3.293 -32.169 22.844 1.00 0.00 WATA O ATOM 13112 H1 TIP3A3104 2.493 -32.471 22.325 1.00 0.00 WATA H ATOM 13113 H2 TIP3A3104 3.689 -31.362 22.408 1.00 0.00 WATA H ATOM 13114 OH2 TIP3A3105 37.440 -6.962 -46.789 1.00 0.00 WATA O ATOM 13115 H1 TIP3A3105 37.770 -6.202 -47.349 1.00 0.00 WATA H ATOM 13116 H2 TIP3A3105 38.208 -7.553 -46.544 1.00 0.00 WATA H ATOM 13117 OH2 TIP3A3106 19.209 -19.552 5.549 1.00 0.00 WATA O ATOM 13118 H1 TIP3A3106 19.949 -19.437 6.211 1.00 0.00 WATA H ATOM 13119 H2 TIP3A3106 18.673 -18.709 5.497 1.00 0.00 WATA H ATOM 13120 OH2 TIP3A3107 -38.164 11.330 -23.225 1.00 0.00 WATA O ATOM 13121 H1 TIP3A3107 -37.271 10.883 -23.183 1.00 0.00 WATA H ATOM 13122 H2 TIP3A3107 -38.300 11.883 -22.403 1.00 0.00 WATA H ATOM 13123 OH2 TIP3A3108 -10.842 -38.187 -37.427 1.00 0.00 WATA O ATOM 13124 H1 TIP3A3108 -11.475 -38.782 -36.931 1.00 0.00 WATA H ATOM 13125 H2 TIP3A3108 -10.077 -37.945 -36.832 1.00 0.00 WATA H ATOM 13126 OH2 TIP3A3109 -10.400 -23.553 46.444 1.00 0.00 WATA O ATOM 13127 H1 TIP3A3109 -10.579 -24.534 46.521 1.00 0.00 WATA H ATOM 13128 H2 TIP3A3109 -11.142 -23.117 45.935 1.00 0.00 WATA H ATOM 13129 OH2 TIP3A3110 23.033 -38.619 -37.591 1.00 0.00 WATA O ATOM 13130 H1 TIP3A3110 22.811 -37.802 -38.124 1.00 0.00 WATA H ATOM 13131 H2 TIP3A3110 22.575 -38.573 -36.704 1.00 0.00 WATA H ATOM 13132 OH2 TIP3A3111 -17.766 22.566 -18.162 1.00 0.00 WATA O ATOM 13133 H1 TIP3A3111 -18.513 21.900 -18.167 1.00 0.00 WATA H ATOM 13134 H2 TIP3A3111 -17.571 22.856 -19.098 1.00 0.00 WATA H ATOM 13135 OH2 TIP3A3112 26.645 -39.189 -49.254 1.00 0.00 WATA O ATOM 13136 H1 TIP3A3112 26.620 -39.529 -48.314 1.00 0.00 WATA H ATOM 13137 H2 TIP3A3112 26.093 -38.358 -49.324 1.00 0.00 WATA H ATOM 13138 OH2 TIP3A3113 -3.011 9.404 26.250 1.00 0.00 WATA O ATOM 13139 H1 TIP3A3113 -2.606 9.831 25.441 1.00 0.00 WATA H ATOM 13140 H2 TIP3A3113 -2.470 9.638 27.057 1.00 0.00 WATA H ATOM 13141 OH2 TIP3A3114 -52.460 -46.609 -44.241 1.00 0.00 WATA O ATOM 13142 H1 TIP3A3114 -53.135 -47.198 -44.686 1.00 0.00 WATA H ATOM 13143 H2 TIP3A3114 -52.854 -46.221 -43.409 1.00 0.00 WATA H ATOM 13144 OH2 TIP3A3115 34.872 50.459 -4.448 1.00 0.00 WATA O ATOM 13145 H1 TIP3A3115 34.088 51.070 -4.557 1.00 0.00 WATA H ATOM 13146 H2 TIP3A3115 34.561 49.509 -4.474 1.00 0.00 WATA H ATOM 13147 OH2 TIP3A3116 -47.816 -12.113 -32.211 1.00 0.00 WATA O ATOM 13148 H1 TIP3A3116 -47.827 -12.986 -32.700 1.00 0.00 WATA H ATOM 13149 H2 TIP3A3116 -48.519 -12.120 -31.501 1.00 0.00 WATA H ATOM 13150 OH2 TIP3A3117 -29.560 -49.526 5.796 1.00 0.00 WATA O ATOM 13151 H1 TIP3A3117 -29.075 -48.694 5.526 1.00 0.00 WATA H ATOM 13152 H2 TIP3A3117 -30.277 -49.725 5.129 1.00 0.00 WATA H ATOM 13153 OH2 TIP3A3118 -40.083 41.155 -25.617 1.00 0.00 WATA O ATOM 13154 H1 TIP3A3118 -39.923 41.932 -25.008 1.00 0.00 WATA H ATOM 13155 H2 TIP3A3118 -40.714 41.425 -26.343 1.00 0.00 WATA H ATOM 13156 OH2 TIP3A3119 -20.319 -37.305 -50.346 1.00 0.00 WATA O ATOM 13157 H1 TIP3A3119 -20.950 -36.540 -50.477 1.00 0.00 WATA H ATOM 13158 H2 TIP3A3119 -20.839 -38.155 -50.267 1.00 0.00 WATA H ATOM 13159 OH2 TIP3A3120 -53.066 29.506 25.623 1.00 0.00 WATA O ATOM 13160 H1 TIP3A3120 -52.288 30.101 25.422 1.00 0.00 WATA H ATOM 13161 H2 TIP3A3120 -52.761 28.555 25.649 1.00 0.00 WATA H ATOM 13162 OH2 TIP3A3121 -21.373 30.973 13.628 1.00 0.00 WATA O ATOM 13163 H1 TIP3A3121 -22.032 31.723 13.575 1.00 0.00 WATA H ATOM 13164 H2 TIP3A3121 -21.855 30.119 13.822 1.00 0.00 WATA H ATOM 13165 OH2 TIP3A3122 -7.417 33.917 -10.496 1.00 0.00 WATA O ATOM 13166 H1 TIP3A3122 -6.622 33.934 -11.103 1.00 0.00 WATA H ATOM 13167 H2 TIP3A3122 -7.487 33.019 -10.063 1.00 0.00 WATA H ATOM 13168 OH2 TIP3A3123 51.333 22.923 33.936 1.00 0.00 WATA O ATOM 13169 H1 TIP3A3123 52.005 23.640 34.122 1.00 0.00 WATA H ATOM 13170 H2 TIP3A3123 50.558 23.313 33.440 1.00 0.00 WATA H ATOM 13171 OH2 TIP3A3124 41.783 39.657 -29.879 1.00 0.00 WATA O ATOM 13172 H1 TIP3A3124 41.094 40.366 -30.033 1.00 0.00 WATA H ATOM 13173 H2 TIP3A3124 41.827 39.441 -28.904 1.00 0.00 WATA H ATOM 13174 OH2 TIP3A3125 -22.211 -0.699 -20.186 1.00 0.00 WATA O ATOM 13175 H1 TIP3A3125 -21.499 -1.309 -20.534 1.00 0.00 WATA H ATOM 13176 H2 TIP3A3125 -23.070 -0.882 -20.663 1.00 0.00 WATA H ATOM 13177 OH2 TIP3A3126 46.118 -15.071 -34.533 1.00 0.00 WATA O ATOM 13178 H1 TIP3A3126 46.693 -15.879 -34.664 1.00 0.00 WATA H ATOM 13179 H2 TIP3A3126 45.156 -15.331 -34.603 1.00 0.00 WATA H ATOM 13180 OH2 TIP3A3127 33.291 -13.501 13.158 1.00 0.00 WATA O ATOM 13181 H1 TIP3A3127 33.808 -13.737 12.336 1.00 0.00 WATA H ATOM 13182 H2 TIP3A3127 32.374 -13.196 12.901 1.00 0.00 WATA H ATOM 13183 OH2 TIP3A3128 -22.194 1.050 -47.846 1.00 0.00 WATA O ATOM 13184 H1 TIP3A3128 -22.687 1.269 -47.004 1.00 0.00 WATA H ATOM 13185 H2 TIP3A3128 -21.909 0.093 -47.827 1.00 0.00 WATA H ATOM 13186 OH2 TIP3A3129 6.108 46.445 -21.838 1.00 0.00 WATA O ATOM 13187 H1 TIP3A3129 5.335 45.834 -22.011 1.00 0.00 WATA H ATOM 13188 H2 TIP3A3129 6.915 45.904 -21.603 1.00 0.00 WATA H ATOM 13189 OH2 TIP3A3130 -31.661 -40.341 6.271 1.00 0.00 WATA O ATOM 13190 H1 TIP3A3130 -31.328 -41.270 6.109 1.00 0.00 WATA H ATOM 13191 H2 TIP3A3130 -30.888 -39.740 6.473 1.00 0.00 WATA H ATOM 13192 OH2 TIP3A3131 -27.861 1.373 -4.555 1.00 0.00 WATA O ATOM 13193 H1 TIP3A3131 -26.895 1.159 -4.699 1.00 0.00 WATA H ATOM 13194 H2 TIP3A3131 -28.426 0.713 -5.049 1.00 0.00 WATA H ATOM 13195 OH2 TIP3A3132 -21.170 -46.923 35.177 1.00 0.00 WATA O ATOM 13196 H1 TIP3A3132 -21.055 -47.196 36.132 1.00 0.00 WATA H ATOM 13197 H2 TIP3A3132 -20.651 -46.087 35.004 1.00 0.00 WATA H ATOM 13198 OH2 TIP3A3133 -50.551 -24.247 40.853 1.00 0.00 WATA O ATOM 13199 H1 TIP3A3133 -51.422 -24.269 40.363 1.00 0.00 WATA H ATOM 13200 H2 TIP3A3133 -50.589 -23.548 41.567 1.00 0.00 WATA H ATOM 13201 OH2 TIP3A3134 23.306 49.621 39.366 1.00 0.00 WATA O ATOM 13202 H1 TIP3A3134 23.472 48.635 39.361 1.00 0.00 WATA H ATOM 13203 H2 TIP3A3134 24.179 50.107 39.317 1.00 0.00 WATA H ATOM 13204 OH2 TIP3A3135 21.783 -44.338 -33.130 1.00 0.00 WATA O ATOM 13205 H1 TIP3A3135 22.158 -43.485 -33.494 1.00 0.00 WATA H ATOM 13206 H2 TIP3A3135 20.858 -44.177 -32.788 1.00 0.00 WATA H ATOM 13207 OH2 TIP3A3136 35.646 -48.175 27.728 1.00 0.00 WATA O ATOM 13208 H1 TIP3A3136 35.091 -48.951 28.027 1.00 0.00 WATA H ATOM 13209 H2 TIP3A3136 35.083 -47.349 27.710 1.00 0.00 WATA H ATOM 13210 OH2 TIP3A3137 -42.077 53.291 8.843 1.00 0.00 WATA O ATOM 13211 H1 TIP3A3137 -42.509 52.609 9.433 1.00 0.00 WATA H ATOM 13212 H2 TIP3A3137 -42.572 53.345 7.976 1.00 0.00 WATA H ATOM 13213 OH2 TIP3A3138 1.402 -17.657 -48.480 1.00 0.00 WATA O ATOM 13214 H1 TIP3A3138 2.329 -17.286 -48.434 1.00 0.00 WATA H ATOM 13215 H2 TIP3A3138 0.743 -16.940 -48.256 1.00 0.00 WATA H ATOM 13216 OH2 TIP3A3139 16.270 -19.482 -39.890 1.00 0.00 WATA O ATOM 13217 H1 TIP3A3139 16.268 -19.832 -38.953 1.00 0.00 WATA H ATOM 13218 H2 TIP3A3139 16.400 -18.491 -39.876 1.00 0.00 WATA H ATOM 13219 OH2 TIP3A3140 -18.912 47.106 11.949 1.00 0.00 WATA O ATOM 13220 H1 TIP3A3140 -19.084 46.121 11.973 1.00 0.00 WATA H ATOM 13221 H2 TIP3A3140 -17.926 47.272 11.955 1.00 0.00 WATA H ATOM 13222 OH2 TIP3A3141 -43.090 26.922 6.306 1.00 0.00 WATA O ATOM 13223 H1 TIP3A3141 -42.859 26.557 7.208 1.00 0.00 WATA H ATOM 13224 H2 TIP3A3141 -43.010 26.198 5.622 1.00 0.00 WATA H ATOM 13225 OH2 TIP3A3142 36.507 -23.119 45.137 1.00 0.00 WATA O ATOM 13226 H1 TIP3A3142 36.332 -23.057 46.120 1.00 0.00 WATA H ATOM 13227 H2 TIP3A3142 35.806 -23.690 44.709 1.00 0.00 WATA H ATOM 13228 OH2 TIP3A3143 -37.211 35.104 22.963 1.00 0.00 WATA O ATOM 13229 H1 TIP3A3143 -37.997 35.480 23.455 1.00 0.00 WATA H ATOM 13230 H2 TIP3A3143 -36.449 35.749 23.011 1.00 0.00 WATA H ATOM 13231 OH2 TIP3A3144 -48.333 25.345 -41.714 1.00 0.00 WATA O ATOM 13232 H1 TIP3A3144 -47.815 24.597 -41.297 1.00 0.00 WATA H ATOM 13233 H2 TIP3A3144 -47.894 25.618 -42.569 1.00 0.00 WATA H ATOM 13234 OH2 TIP3A3145 36.712 -0.005 -30.204 1.00 0.00 WATA O ATOM 13235 H1 TIP3A3145 36.775 0.816 -29.635 1.00 0.00 WATA H ATOM 13236 H2 TIP3A3145 37.606 -0.449 -30.249 1.00 0.00 WATA H ATOM 13237 OH2 TIP3A3146 -10.200 -22.057 -21.633 1.00 0.00 WATA O ATOM 13238 H1 TIP3A3146 -10.074 -22.804 -20.981 1.00 0.00 WATA H ATOM 13239 H2 TIP3A3146 -9.606 -22.201 -22.424 1.00 0.00 WATA H ATOM 13240 OH2 TIP3A3147 -47.110 -49.905 37.917 1.00 0.00 WATA O ATOM 13241 H1 TIP3A3147 -46.299 -49.631 37.399 1.00 0.00 WATA H ATOM 13242 H2 TIP3A3147 -47.140 -49.401 38.779 1.00 0.00 WATA H ATOM 13243 OH2 TIP3A3148 -19.273 34.510 -32.534 1.00 0.00 WATA O ATOM 13244 H1 TIP3A3148 -18.866 35.370 -32.226 1.00 0.00 WATA H ATOM 13245 H2 TIP3A3148 -18.550 33.849 -32.727 1.00 0.00 WATA H ATOM 13246 OH2 TIP3A3149 21.985 35.735 32.664 1.00 0.00 WATA O ATOM 13247 H1 TIP3A3149 22.953 35.484 32.633 1.00 0.00 WATA H ATOM 13248 H2 TIP3A3149 21.428 34.907 32.719 1.00 0.00 WATA H ATOM 13249 OH2 TIP3A3150 51.899 19.148 -8.586 1.00 0.00 WATA O ATOM 13250 H1 TIP3A3150 52.787 18.762 -8.332 1.00 0.00 WATA H ATOM 13251 H2 TIP3A3150 51.217 18.419 -8.621 1.00 0.00 WATA H ATOM 13252 OH2 TIP3A3151 -42.722 -22.311 -18.021 1.00 0.00 WATA O ATOM 13253 H1 TIP3A3151 -42.893 -21.672 -18.772 1.00 0.00 WATA H ATOM 13254 H2 TIP3A3151 -41.757 -22.276 -17.766 1.00 0.00 WATA H ATOM 13255 OH2 TIP3A3152 -27.221 -26.419 -12.109 1.00 0.00 WATA O ATOM 13256 H1 TIP3A3152 -27.075 -27.249 -12.649 1.00 0.00 WATA H ATOM 13257 H2 TIP3A3152 -28.053 -25.961 -12.420 1.00 0.00 WATA H ATOM 13258 OH2 TIP3A3153 -25.524 -18.415 5.399 1.00 0.00 WATA O ATOM 13259 H1 TIP3A3153 -26.474 -18.440 5.709 1.00 0.00 WATA H ATOM 13260 H2 TIP3A3153 -25.405 -19.049 4.636 1.00 0.00 WATA H ATOM 13261 OH2 TIP3A3154 -22.132 -25.204 -37.669 1.00 0.00 WATA O ATOM 13262 H1 TIP3A3154 -21.183 -24.938 -37.494 1.00 0.00 WATA H ATOM 13263 H2 TIP3A3154 -22.636 -24.421 -38.033 1.00 0.00 WATA H ATOM 13264 OH2 TIP3A3155 -8.238 -27.117 3.317 1.00 0.00 WATA O ATOM 13265 H1 TIP3A3155 -7.769 -27.597 2.575 1.00 0.00 WATA H ATOM 13266 H2 TIP3A3155 -8.873 -27.742 3.769 1.00 0.00 WATA H ATOM 13267 OH2 TIP3A3156 -9.124 -13.225 52.481 1.00 0.00 WATA O ATOM 13268 H1 TIP3A3156 -8.858 -13.030 51.537 1.00 0.00 WATA H ATOM 13269 H2 TIP3A3156 -9.216 -14.213 52.603 1.00 0.00 WATA H ATOM 13270 OH2 TIP3A3157 39.681 48.339 -17.169 1.00 0.00 WATA O ATOM 13271 H1 TIP3A3157 38.994 47.627 -17.316 1.00 0.00 WATA H ATOM 13272 H2 TIP3A3157 40.585 47.920 -17.093 1.00 0.00 WATA H ATOM 13273 OH2 TIP3A3158 -26.286 -17