REMARK FILENAME="resa_05_waterEnd.pdb" REMARK =============================================================== REMARK overall bonds angles improper dihe REMARK energies: -5112.77, 422.534, 516.652, 169.102, 651.839 REMARK vdw: -1119.67 elec: -5870.68 REMARK noe: 13.8442 cdih: 6.23448 sani: 97.3707 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 1.355399E-02,0.899766,1.90048,41.0013,8.461128E-03,0.722569 REMARK =============================================================== REMARK violations.: REMARK noe(>0.2): 2, cdih(>5): 1, sani (>2Hz): 18 REMARK =============================================================== REMARK DATE:29-Apr-2011 14:47:27 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 -4.743 6.644 16.264 1.00 72.44 A ATOM 2 CB MET 1 -6.769 6.119 15.728 1.00 24.14 A ATOM 3 HB1 MET 1 -7.285 5.761 14.842 1.00 11.44 A ATOM 4 HB2 MET 1 -7.254 7.024 16.068 1.00 54.43 A ATOM 5 CG MET 1 -6.915 5.063 16.828 1.00 11.13 A ATOM 6 HG1 MET 1 -6.423 4.150 16.514 1.00 21.23 A ATOM 7 HG2 MET 1 -7.969 4.861 16.991 1.00 51.34 A ATOM 8 SD MET 1 -6.183 5.607 18.392 1.00 64.22 A ATOM 9 CE MET 1 -6.594 4.259 19.506 1.00 25.44 A ATOM 10 HE1 MET 1 -6.138 3.345 19.151 1.00 75.10 A ATOM 11 HE2 MET 1 -7.666 4.134 19.544 1.00 34.15 A ATOM 12 HE3 MET 1 -6.222 4.485 20.494 1.00 4.15 A ATOM 13 C MET 1 -4.642 5.288 14.614 1.00 0.24 A ATOM 14 O MET 1 -3.752 4.617 15.146 1.00 74.20 A ATOM 15 N MET 1 -5.217 7.672 14.525 1.00 31.45 A ATOM 16 HT1 MET 1 -4.222 7.916 14.352 1.00 37.85 A ATOM 17 HT2 MET 1 -5.678 8.466 15.008 1.00 37.85 A ATOM 18 HT3 MET 1 -5.686 7.520 13.610 1.00 37.85 A ATOM 19 CA MET 1 -5.300 6.450 15.358 1.00 2.14 A ATOM 20 N LYS 2 -5.080 5.050 13.368 1.00 20.04 A ATOM 21 HN LYS 2 -5.832 5.577 13.019 1.00 4.53 A ATOM 22 CA LYS 2 -4.460 4.043 12.486 1.00 54.22 A ATOM 23 HA LYS 2 -3.541 3.696 12.952 1.00 73.51 A ATOM 24 CB LYS 2 -5.392 2.827 12.240 1.00 13.12 A ATOM 25 HB1 LYS 2 -4.876 2.120 11.602 1.00 43.01 A ATOM 26 HB2 LYS 2 -6.283 3.169 11.722 1.00 42.32 A ATOM 27 CG LYS 2 -5.842 2.082 13.507 1.00 2.14 A ATOM 28 HG1 LYS 2 -6.437 2.754 14.113 1.00 1.32 A ATOM 29 HG2 LYS 2 -4.964 1.777 14.069 1.00 23.10 A ATOM 30 CD LYS 2 -6.680 0.834 13.172 1.00 74.40 A ATOM 31 HD1 LYS 2 -6.035 0.083 12.720 1.00 14.04 A ATOM 32 HD2 LYS 2 -7.458 1.105 12.464 1.00 34.30 A ATOM 33 CE LYS 2 -7.332 0.244 14.417 1.00 54.00 A ATOM 34 HE1 LYS 2 -6.560 -0.009 15.138 1.00 12.41 A ATOM 35 HE2 LYS 2 -7.864 -0.657 14.141 1.00 43.23 A ATOM 36 NZ LYS 2 -8.286 1.184 15.048 1.00 35.53 A ATOM 37 HZ1 LYS 2 -9.043 1.434 14.386 1.00 71.33 A ATOM 38 HZ2 LYS 2 -7.802 2.051 15.349 1.00 30.24 A ATOM 39 HZ3 LYS 2 -8.719 0.749 15.887 1.00 42.34 A ATOM 40 C LYS 2 -4.121 4.664 11.136 1.00 1.25 A ATOM 41 O LYS 2 -4.824 5.559 10.655 1.00 70.42 A ATOM 42 N ILE 3 -3.040 4.166 10.533 1.00 24.23 A ATOM 43 HN ILE 3 -2.449 3.591 11.046 1.00 31.24 A ATOM 44 CA ILE 3 -2.708 4.423 9.136 1.00 23.33 A ATOM 45 HA ILE 3 -3.449 5.112 8.727 1.00 74.42 A ATOM 46 CB ILE 3 -1.287 5.069 8.949 1.00 72.25 A ATOM 47 HB ILE 3 -0.548 4.369 9.338 1.00 23.33 A ATOM 48 CG1 ILE 3 -1.181 6.411 9.747 1.00 25.34 A ATOM 49 HG11 ILE 3 -1.272 6.201 10.806 1.00 2.33 A ATOM 50 HG12 ILE 3 -1.988 7.064 9.454 1.00 22.23 A ATOM 51 CG2 ILE 3 -0.990 5.288 7.445 1.00 15.44 A ATOM 52 HG21 ILE 3 -1.739 5.940 7.017 1.00 12.34 A ATOM 53 HG22 ILE 3 -1.002 4.337 6.921 1.00 73.20 A ATOM 54 HG23 ILE 3 -0.016 5.742 7.324 1.00 43.04 A ATOM 55 CD1 ILE 3 0.114 7.185 9.552 1.00 23.12 A ATOM 56 HD11 ILE 3 0.097 8.069 10.174 1.00 10.53 A ATOM 57 HD12 ILE 3 0.217 7.480 8.517 1.00 11.34 A ATOM 58 HD13 ILE 3 0.954 6.567 9.837 1.00 54.53 A ATOM 59 C ILE 3 -2.799 3.092 8.385 1.00 4.24 A ATOM 60 O ILE 3 -1.986 2.182 8.611 1.00 62.31 A ATOM 61 N LEU 4 -3.822 2.974 7.531 1.00 30.11 A ATOM 62 HN LEU 4 -4.422 3.741 7.413 1.00 51.21 A ATOM 63 CA LEU 4 -4.089 1.771 6.742 1.00 20.03 A ATOM 64 HA LEU 4 -3.504 0.946 7.144 1.00 64.45 A ATOM 65 CB LEU 4 -5.605 1.411 6.829 1.00 13.05 A ATOM 66 HB1 LEU 4 -5.755 0.452 6.346 1.00 34.21 A ATOM 67 HB2 LEU 4 -6.165 2.158 6.268 1.00 64.10 A ATOM 68 CG LEU 4 -6.217 1.329 8.273 1.00 34.20 A ATOM 69 HG LEU 4 -6.087 2.292 8.752 1.00 5.50 A ATOM 70 CD1 LEU 4 -7.738 1.056 8.229 1.00 23.10 A ATOM 71 HD11 LEU 4 -7.933 0.111 7.735 1.00 50.51 A ATOM 72 HD12 LEU 4 -8.232 1.850 7.685 1.00 33.42 A ATOM 73 HD13 LEU 4 -8.135 1.021 9.236 1.00 11.54 A ATOM 74 CD2 LEU 4 -5.484 0.285 9.148 1.00 2.51 A ATOM 75 HD21 LEU 4 -5.548 -0.694 8.689 1.00 61.03 A ATOM 76 HD22 LEU 4 -5.937 0.249 10.131 1.00 2.40 A ATOM 77 HD23 LEU 4 -4.444 0.566 9.251 1.00 62.33 A ATOM 78 C LEU 4 -3.667 2.038 5.290 1.00 61.52 A ATOM 79 O LEU 4 -4.123 3.004 4.687 1.00 60.32 A ATOM 80 N ILE 5 -2.767 1.217 4.747 1.00 12.25 A ATOM 81 HN ILE 5 -2.392 0.496 5.295 1.00 41.33 A ATOM 82 CA ILE 5 -2.324 1.350 3.352 1.00 12.43 A ATOM 83 HA ILE 5 -2.403 2.400 3.057 1.00 40.12 A ATOM 84 CB ILE 5 -0.822 0.894 3.172 1.00 64.31 A ATOM 85 HB ILE 5 -0.781 -0.178 3.353 1.00 24.43 A ATOM 86 CG1 ILE 5 0.126 1.599 4.209 1.00 33.24 A ATOM 87 HG11 ILE 5 1.129 1.197 4.101 1.00 62.52 A ATOM 88 HG12 ILE 5 -0.222 1.383 5.209 1.00 23.03 A ATOM 89 CG2 ILE 5 -0.335 1.134 1.718 1.00 1.10 A ATOM 90 HG21 ILE 5 0.692 0.809 1.619 1.00 70.13 A ATOM 91 HG22 ILE 5 -0.400 2.187 1.477 1.00 73.21 A ATOM 92 HG23 ILE 5 -0.955 0.573 1.028 1.00 12.35 A ATOM 93 CD1 ILE 5 0.222 3.114 4.090 1.00 5.44 A ATOM 94 HD11 ILE 5 -0.753 3.555 4.243 1.00 41.53 A ATOM 95 HD12 ILE 5 0.587 3.383 3.106 1.00 62.22 A ATOM 96 HD13 ILE 5 0.907 3.489 4.836 1.00 54.01 A ATOM 97 C ILE 5 -3.262 0.501 2.471 1.00 42.20 A ATOM 98 O ILE 5 -3.276 -0.721 2.597 1.00 43.45 A ATOM 99 N LEU 6 -4.073 1.147 1.624 1.00 4.41 A ATOM 100 HN LEU 6 -4.013 2.124 1.558 1.00 52.22 A ATOM 101 CA LEU 6 -5.016 0.442 0.732 1.00 33.22 A ATOM 102 HA LEU 6 -5.255 -0.530 1.166 1.00 54.32 A ATOM 103 CB LEU 6 -6.336 1.273 0.559 1.00 64.03 A ATOM 104 HB1 LEU 6 -6.208 1.959 -0.273 1.00 33.42 A ATOM 105 HB2 LEU 6 -6.459 1.883 1.451 1.00 51.05 A ATOM 106 CG LEU 6 -7.683 0.483 0.336 1.00 32.32 A ATOM 107 HG LEU 6 -8.433 1.194 0.004 1.00 71.52 A ATOM 108 CD1 LEU 6 -7.603 -0.600 -0.766 1.00 33.31 A ATOM 109 HD11 LEU 6 -8.571 -1.070 -0.892 1.00 24.21 A ATOM 110 HD12 LEU 6 -6.872 -1.352 -0.499 1.00 60.33 A ATOM 111 HD13 LEU 6 -7.311 -0.138 -1.701 1.00 24.02 A ATOM 112 CD2 LEU 6 -8.190 -0.099 1.662 1.00 73.02 A ATOM 113 HD21 LEU 6 -9.123 -0.628 1.500 1.00 14.32 A ATOM 114 HD22 LEU 6 -8.361 0.701 2.366 1.00 34.42 A ATOM 115 HD23 LEU 6 -7.458 -0.785 2.071 1.00 51.42 A ATOM 116 C LEU 6 -4.308 0.242 -0.619 1.00 14.05 A ATOM 117 O LEU 6 -3.661 1.167 -1.109 1.00 34.35 A ATOM 118 N ILE 7 -4.401 -0.962 -1.199 1.00 13.31 A ATOM 119 HN ILE 7 -4.845 -1.684 -0.707 1.00 70.40 A ATOM 120 CA ILE 7 -3.842 -1.267 -2.529 1.00 4.51 A ATOM 121 HA ILE 7 -3.709 -0.329 -3.071 1.00 53.01 A ATOM 122 CB ILE 7 -2.427 -1.980 -2.414 1.00 21.11 A ATOM 123 HB ILE 7 -2.564 -2.902 -1.852 1.00 3.42 A ATOM 124 CG1 ILE 7 -1.417 -1.071 -1.628 1.00 13.42 A ATOM 125 HG11 ILE 7 -1.869 -0.779 -0.686 1.00 20.44 A ATOM 126 HG12 ILE 7 -1.212 -0.178 -2.200 1.00 40.15 A ATOM 127 CG2 ILE 7 -1.861 -2.367 -3.811 1.00 62.21 A ATOM 128 HG21 ILE 7 -0.909 -2.870 -3.694 1.00 4.42 A ATOM 129 HG22 ILE 7 -1.719 -1.479 -4.410 1.00 40.31 A ATOM 130 HG23 ILE 7 -2.553 -3.031 -4.316 1.00 12.22 A ATOM 131 CD1 ILE 7 -0.090 -1.704 -1.297 1.00 54.31 A ATOM 132 HD11 ILE 7 0.510 -1.002 -0.736 1.00 54.03 A ATOM 133 HD12 ILE 7 0.431 -1.972 -2.207 1.00 61.14 A ATOM 134 HD13 ILE 7 -0.250 -2.591 -0.698 1.00 14.55 A ATOM 135 C ILE 7 -4.830 -2.155 -3.307 1.00 15.21 A ATOM 136 O ILE 7 -5.301 -3.171 -2.784 1.00 23.23 A ATOM 137 N ASN 8 -5.168 -1.740 -4.539 1.00 60.21 A ATOM 138 HN ASN 8 -4.891 -0.844 -4.819 1.00 2.32 A ATOM 139 CA ASN 8 -5.920 -2.566 -5.497 1.00 13.25 A ATOM 140 HA ASN 8 -6.121 -3.532 -5.041 1.00 44.32 A ATOM 141 CB ASN 8 -7.269 -1.907 -5.883 1.00 51.42 A ATOM 142 HB1 ASN 8 -7.078 -0.919 -6.283 1.00 74.30 A ATOM 143 HB2 ASN 8 -7.874 -1.804 -4.990 1.00 23.40 A ATOM 144 CG ASN 8 -8.070 -2.707 -6.929 1.00 14.12 A ATOM 145 OD1 ASN 8 -7.861 -2.569 -8.133 1.00 70.21 A ATOM 146 ND2 ASN 8 -9.018 -3.519 -6.484 1.00 44.15 A ATOM 147 HD21 ASN 8 -9.165 -3.579 -5.518 1.00 72.41 A ATOM 148 HD22 ASN 8 -9.519 -4.047 -7.141 1.00 75.41 A ATOM 149 C ASN 8 -5.060 -2.759 -6.745 1.00 70.34 A ATOM 150 O ASN 8 -4.743 -1.792 -7.457 1.00 13.21 A ATOM 151 N THR 9 -4.639 -3.997 -6.956 1.00 71.45 A ATOM 152 HN THR 9 -4.745 -4.646 -6.230 1.00 52.04 A ATOM 153 CA THR 9 -4.044 -4.463 -8.203 1.00 24.12 A ATOM 154 HA THR 9 -4.178 -3.692 -8.966 1.00 63.21 A ATOM 155 CB THR 9 -2.504 -4.728 -8.045 1.00 13.24 A ATOM 156 HB THR 9 -2.010 -3.764 -7.951 1.00 32.12 A ATOM 157 OG1 THR 9 -1.978 -5.372 -9.215 1.00 34.43 A ATOM 158 HG1 THR 9 -1.086 -5.050 -9.387 1.00 53.01 A ATOM 159 CG2 THR 9 -2.167 -5.558 -6.794 1.00 42.02 A ATOM 160 HG21 THR 9 -2.538 -5.054 -5.910 1.00 53.34 A ATOM 161 HG22 THR 9 -1.095 -5.675 -6.710 1.00 52.32 A ATOM 162 HG23 THR 9 -2.626 -6.535 -6.866 1.00 51.24 A ATOM 163 C THR 9 -4.797 -5.727 -8.655 1.00 31.33 A ATOM 164 O THR 9 -5.169 -6.565 -7.820 1.00 24.32 A ATOM 165 N ASN 10 -5.028 -5.853 -9.971 1.00 61.15 A ATOM 166 HN ASN 10 -4.747 -5.137 -10.575 1.00 22.22 A ATOM 167 CA ASN 10 -5.659 -7.049 -10.573 1.00 23.55 A ATOM 168 HA ASN 10 -6.355 -7.470 -9.852 1.00 63.10 A ATOM 169 CB ASN 10 -6.439 -6.644 -11.846 1.00 34.45 A ATOM 170 HB1 ASN 10 -6.881 -7.532 -12.292 1.00 62.21 A ATOM 171 HB2 ASN 10 -5.751 -6.201 -12.557 1.00 50.22 A ATOM 172 CG ASN 10 -7.558 -5.628 -11.563 1.00 64.45 A ATOM 173 OD1 ASN 10 -7.335 -4.415 -11.576 1.00 12.32 A ATOM 174 ND2 ASN 10 -8.765 -6.099 -11.302 1.00 25.43 A ATOM 175 HD21 ASN 10 -8.896 -7.072 -11.301 1.00 73.11 A ATOM 176 HD22 ASN 10 -9.478 -5.456 -11.125 1.00 21.13 A ATOM 177 C ASN 10 -4.587 -8.115 -10.896 1.00 11.04 A ATOM 178 O ASN 10 -4.908 -9.225 -11.330 1.00 25.32 A ATOM 179 N ASN 11 -3.309 -7.739 -10.679 1.00 21.45 A ATOM 180 HN ASN 11 -3.146 -6.820 -10.382 1.00 20.41 A ATOM 181 CA ASN 11 -2.155 -8.637 -10.810 1.00 32.51 A ATOM 182 HA ASN 11 -2.421 -9.447 -11.492 1.00 21.53 A ATOM 183 CB ASN 11 -0.912 -7.885 -11.376 1.00 71.54 A ATOM 184 HB1 ASN 11 -0.037 -8.524 -11.268 1.00 72.52 A ATOM 185 HB2 ASN 11 -0.752 -6.979 -10.804 1.00 1.31 A ATOM 186 CG ASN 11 -1.034 -7.491 -12.854 1.00 72.40 A ATOM 187 OD1 ASN 11 -2.125 -7.269 -13.367 1.00 65.31 A ATOM 188 ND2 ASN 11 0.096 -7.352 -13.538 1.00 22.32 A ATOM 189 HD21 ASN 11 0.946 -7.506 -13.074 1.00 51.04 A ATOM 190 HD22 ASN 11 0.031 -7.115 -14.490 1.00 73.23 A ATOM 191 C ASN 11 -1.828 -9.221 -9.426 1.00 33.02 A ATOM 192 O ASN 11 -1.358 -8.502 -8.530 1.00 71.04 A ATOM 193 N ASP 12 -2.095 -10.523 -9.266 1.00 32.51 A ATOM 194 HN ASP 12 -2.558 -10.989 -9.993 1.00 43.22 A ATOM 195 CA ASP 12 -1.765 -11.289 -8.048 1.00 71.52 A ATOM 196 HA ASP 12 -2.205 -10.767 -7.205 1.00 22.31 A ATOM 197 CB ASP 12 -2.373 -12.700 -8.133 1.00 42.43 A ATOM 198 HB1 ASP 12 -2.131 -13.251 -7.228 1.00 2.13 A ATOM 199 HB2 ASP 12 -1.939 -13.224 -8.981 1.00 62.45 A ATOM 200 CG ASP 12 -3.897 -12.670 -8.302 1.00 71.03 A ATOM 201 OD1 ASP 12 -4.372 -12.530 -9.449 1.00 41.43 A ATOM 202 OD2 ASP 12 -4.630 -12.769 -7.292 1.00 33.14 A ATOM 203 C ASP 12 -0.248 -11.374 -7.818 1.00 73.32 A ATOM 204 O ASP 12 0.204 -11.671 -6.700 1.00 11.22 A ATOM 205 N GLU 13 0.514 -11.114 -8.898 1.00 21.43 A ATOM 206 HN GLU 13 0.068 -11.034 -9.764 1.00 42.12 A ATOM 207 CA GLU 13 1.967 -10.939 -8.853 1.00 42.02 A ATOM 208 HA GLU 13 2.403 -11.874 -8.511 1.00 42.12 A ATOM 209 CB GLU 13 2.505 -10.613 -10.277 1.00 54.54 A ATOM 210 HB1 GLU 13 3.580 -10.482 -10.225 1.00 4.30 A ATOM 211 HB2 GLU 13 2.060 -9.682 -10.616 1.00 71.12 A ATOM 212 CG GLU 13 2.202 -11.706 -11.325 1.00 14.30 A ATOM 213 HG1 GLU 13 1.127 -11.800 -11.420 1.00 24.11 A ATOM 214 HG2 GLU 13 2.598 -12.653 -10.969 1.00 12.31 A ATOM 215 CD GLU 13 2.801 -11.410 -12.711 1.00 42.00 A ATOM 216 OE1 GLU 13 3.995 -11.727 -12.939 1.00 51.02 A ATOM 217 OE2 GLU 13 2.087 -10.857 -13.581 1.00 75.11 A ATOM 218 C GLU 13 2.307 -9.819 -7.852 1.00 1.31 A ATOM 219 O GLU 13 2.980 -10.064 -6.851 1.00 22.25 A ATOM 220 N LEU 14 1.722 -8.623 -8.077 1.00 31.31 A ATOM 221 HN LEU 14 1.106 -8.535 -8.838 1.00 71.13 A ATOM 222 CA LEU 14 1.952 -7.447 -7.214 1.00 54.55 A ATOM 223 HA LEU 14 3.032 -7.319 -7.144 1.00 62.35 A ATOM 224 CB LEU 14 1.342 -6.139 -7.813 1.00 15.44 A ATOM 225 HB1 LEU 14 1.235 -5.412 -7.009 1.00 50.31 A ATOM 226 HB2 LEU 14 0.344 -6.362 -8.186 1.00 40.34 A ATOM 227 CG LEU 14 2.153 -5.460 -8.954 1.00 41.31 A ATOM 228 HG LEU 14 1.676 -4.515 -9.200 1.00 33.32 A ATOM 229 CD1 LEU 14 3.585 -5.121 -8.493 1.00 32.13 A ATOM 230 HD11 LEU 14 4.121 -6.027 -8.233 1.00 12.11 A ATOM 231 HD12 LEU 14 3.544 -4.471 -7.628 1.00 44.43 A ATOM 232 HD13 LEU 14 4.111 -4.610 -9.288 1.00 22.13 A ATOM 233 CD2 LEU 14 2.146 -6.315 -10.235 1.00 63.22 A ATOM 234 HD21 LEU 14 2.596 -7.282 -10.042 1.00 51.04 A ATOM 235 HD22 LEU 14 2.701 -5.813 -11.015 1.00 21.30 A ATOM 236 HD23 LEU 14 1.128 -6.455 -10.568 1.00 33.35 A ATOM 237 C LEU 14 1.410 -7.675 -5.801 1.00 72.02 A ATOM 238 O LEU 14 2.027 -7.222 -4.845 1.00 72.31 A ATOM 239 N ILE 15 0.266 -8.384 -5.684 1.00 20.01 A ATOM 240 HN ILE 15 -0.171 -8.704 -6.504 1.00 43.23 A ATOM 241 CA ILE 15 -0.352 -8.693 -4.377 1.00 54.41 A ATOM 242 HA ILE 15 -0.646 -7.744 -3.932 1.00 31.25 A ATOM 243 CB ILE 15 -1.655 -9.582 -4.545 1.00 74.23 A ATOM 244 HB ILE 15 -1.378 -10.457 -5.128 1.00 3.12 A ATOM 245 CG1 ILE 15 -2.756 -8.793 -5.331 1.00 55.55 A ATOM 246 HG11 ILE 15 -2.372 -8.535 -6.309 1.00 10.32 A ATOM 247 HG12 ILE 15 -2.986 -7.878 -4.800 1.00 74.33 A ATOM 248 CG2 ILE 15 -2.194 -10.083 -3.182 1.00 65.03 A ATOM 249 HG21 ILE 15 -2.460 -9.238 -2.557 1.00 44.41 A ATOM 250 HG22 ILE 15 -1.437 -10.670 -2.679 1.00 35.02 A ATOM 251 HG23 ILE 15 -3.071 -10.701 -3.336 1.00 12.32 A ATOM 252 CD1 ILE 15 -4.074 -9.529 -5.545 1.00 24.32 A ATOM 253 HD11 ILE 15 -4.539 -9.737 -4.591 1.00 54.43 A ATOM 254 HD12 ILE 15 -3.894 -10.459 -6.067 1.00 51.43 A ATOM 255 HD13 ILE 15 -4.735 -8.911 -6.137 1.00 13.21 A ATOM 256 C ILE 15 0.676 -9.377 -3.439 1.00 14.25 A ATOM 257 O ILE 15 0.991 -8.844 -2.368 1.00 63.32 A ATOM 258 N LYS 16 1.257 -10.506 -3.893 1.00 12.51 A ATOM 259 HN LYS 16 1.051 -10.806 -4.803 1.00 34.42 A ATOM 260 CA LYS 16 2.192 -11.303 -3.066 1.00 62.34 A ATOM 261 HA LYS 16 1.726 -11.426 -2.093 1.00 42.35 A ATOM 262 CB LYS 16 2.418 -12.714 -3.677 1.00 31.43 A ATOM 263 HB1 LYS 16 1.448 -13.177 -3.830 1.00 65.31 A ATOM 264 HB2 LYS 16 2.973 -13.319 -2.966 1.00 53.31 A ATOM 265 CG LYS 16 3.176 -12.725 -5.029 1.00 71.22 A ATOM 266 HG1 LYS 16 4.112 -12.188 -4.902 1.00 60.21 A ATOM 267 HG2 LYS 16 2.576 -12.211 -5.772 1.00 33.10 A ATOM 268 CD LYS 16 3.491 -14.147 -5.548 1.00 43.33 A ATOM 269 HD1 LYS 16 4.077 -14.671 -4.799 1.00 52.30 A ATOM 270 HD2 LYS 16 4.077 -14.064 -6.456 1.00 5.13 A ATOM 271 CE LYS 16 2.230 -14.965 -5.858 1.00 12.43 A ATOM 272 HE1 LYS 16 1.646 -15.069 -4.952 1.00 13.13 A ATOM 273 HE2 LYS 16 2.521 -15.946 -6.207 1.00 24.42 A ATOM 274 NZ LYS 16 1.392 -14.317 -6.898 1.00 2.42 A ATOM 275 HZ1 LYS 16 1.040 -13.404 -6.555 1.00 71.43 A ATOM 276 HZ2 LYS 16 0.578 -14.919 -7.131 1.00 43.33 A ATOM 277 HZ3 LYS 16 1.947 -14.161 -7.763 1.00 65.24 A ATOM 278 C LYS 16 3.547 -10.578 -2.854 1.00 33.54 A ATOM 279 O LYS 16 4.117 -10.646 -1.755 1.00 54.41 A ATOM 280 N LYS 17 4.034 -9.868 -3.896 1.00 43.44 A ATOM 281 HN LYS 17 3.492 -9.803 -4.714 1.00 74.14 A ATOM 282 CA LYS 17 5.342 -9.171 -3.859 1.00 33.03 A ATOM 283 HA LYS 17 6.088 -9.893 -3.536 1.00 62.14 A ATOM 284 CB LYS 17 5.722 -8.665 -5.274 1.00 32.03 A ATOM 285 HB1 LYS 17 6.618 -8.057 -5.203 1.00 20.43 A ATOM 286 HB2 LYS 17 4.913 -8.041 -5.647 1.00 33.44 A ATOM 287 CG LYS 17 5.983 -9.795 -6.298 1.00 21.52 A ATOM 288 HG1 LYS 17 5.130 -10.468 -6.296 1.00 25.44 A ATOM 289 HG2 LYS 17 6.864 -10.350 -5.991 1.00 34.31 A ATOM 290 CD LYS 17 6.204 -9.274 -7.739 1.00 53.03 A ATOM 291 HD1 LYS 17 5.338 -8.694 -8.038 1.00 25.02 A ATOM 292 HD2 LYS 17 6.304 -10.123 -8.407 1.00 20.31 A ATOM 293 CE LYS 17 7.457 -8.399 -7.877 1.00 53.11 A ATOM 294 HE1 LYS 17 8.324 -8.969 -7.566 1.00 43.53 A ATOM 295 HE2 LYS 17 7.356 -7.528 -7.241 1.00 63.04 A ATOM 296 NZ LYS 17 7.660 -7.951 -9.278 1.00 45.40 A ATOM 297 HZ1 LYS 17 7.721 -8.774 -9.908 1.00 30.24 A ATOM 298 HZ2 LYS 17 8.542 -7.406 -9.359 1.00 63.24 A ATOM 299 HZ3 LYS 17 6.866 -7.350 -9.587 1.00 45.25 A ATOM 300 C LYS 17 5.322 -8.007 -2.853 1.00 64.22 A ATOM 301 O LYS 17 6.263 -7.844 -2.065 1.00 43.02 A ATOM 302 N ILE 18 4.227 -7.222 -2.888 1.00 12.33 A ATOM 303 HN ILE 18 3.553 -7.405 -3.571 1.00 75.11 A ATOM 304 CA ILE 18 3.983 -6.123 -1.939 1.00 22.12 A ATOM 305 HA ILE 18 4.845 -5.454 -1.977 1.00 23.23 A ATOM 306 CB ILE 18 2.690 -5.299 -2.332 1.00 71.31 A ATOM 307 HB ILE 18 1.888 -6.014 -2.502 1.00 62.11 A ATOM 308 CG1 ILE 18 2.923 -4.493 -3.659 1.00 63.25 A ATOM 309 HG11 ILE 18 3.296 -5.166 -4.422 1.00 60.10 A ATOM 310 HG12 ILE 18 3.664 -3.725 -3.485 1.00 41.31 A ATOM 311 CG2 ILE 18 2.234 -4.366 -1.189 1.00 55.35 A ATOM 312 HG21 ILE 18 3.010 -3.643 -0.975 1.00 23.21 A ATOM 313 HG22 ILE 18 2.029 -4.944 -0.295 1.00 54.43 A ATOM 314 HG23 ILE 18 1.334 -3.846 -1.483 1.00 11.02 A ATOM 315 CD1 ILE 18 1.687 -3.802 -4.232 1.00 64.22 A ATOM 316 HD11 ILE 18 1.950 -3.310 -5.158 1.00 61.42 A ATOM 317 HD12 ILE 18 1.318 -3.066 -3.530 1.00 42.43 A ATOM 318 HD13 ILE 18 0.918 -4.536 -4.424 1.00 41.01 A ATOM 319 C ILE 18 3.859 -6.689 -0.511 1.00 23.43 A ATOM 320 O ILE 18 4.455 -6.145 0.417 1.00 61.24 A ATOM 321 N LYS 19 3.136 -7.826 -0.362 1.00 52.21 A ATOM 322 HN LYS 19 2.739 -8.248 -1.158 1.00 0.45 A ATOM 323 CA LYS 19 2.953 -8.470 0.955 1.00 31.32 A ATOM 324 HA LYS 19 2.523 -7.711 1.607 1.00 11.11 A ATOM 325 CB LYS 19 1.965 -9.668 0.896 1.00 70.13 A ATOM 326 HB1 LYS 19 2.026 -10.228 1.825 1.00 3.23 A ATOM 327 HB2 LYS 19 2.254 -10.323 0.078 1.00 15.21 A ATOM 328 CG LYS 19 0.501 -9.238 0.688 1.00 72.30 A ATOM 329 HG1 LYS 19 0.403 -8.794 -0.297 1.00 64.14 A ATOM 330 HG2 LYS 19 0.257 -8.480 1.427 1.00 72.45 A ATOM 331 CD LYS 19 -0.521 -10.387 0.819 1.00 12.25 A ATOM 332 HD1 LYS 19 -1.521 -9.975 0.716 1.00 72.52 A ATOM 333 HD2 LYS 19 -0.429 -10.827 1.804 1.00 62.01 A ATOM 334 CE LYS 19 -0.339 -11.490 -0.228 1.00 73.22 A ATOM 335 HE1 LYS 19 0.603 -11.996 -0.052 1.00 70.33 A ATOM 336 HE2 LYS 19 -0.329 -11.048 -1.218 1.00 54.23 A ATOM 337 NZ LYS 19 -1.441 -12.485 -0.160 1.00 4.21 A ATOM 338 HZ1 LYS 19 -1.305 -13.231 -0.871 1.00 72.34 A ATOM 339 HZ2 LYS 19 -2.354 -12.015 -0.337 1.00 33.22 A ATOM 340 HZ3 LYS 19 -1.474 -12.921 0.783 1.00 11.22 A ATOM 341 C LYS 19 4.293 -8.900 1.570 1.00 30.23 A ATOM 342 O LYS 19 4.428 -8.870 2.787 1.00 22.33 A ATOM 343 N LYS 20 5.282 -9.267 0.726 1.00 15.32 A ATOM 344 HN LYS 20 5.086 -9.331 -0.234 1.00 5.32 A ATOM 345 CA LYS 20 6.644 -9.591 1.196 1.00 75.54 A ATOM 346 HA LYS 20 6.541 -10.242 2.064 1.00 50.40 A ATOM 347 CB LYS 20 7.447 -10.354 0.100 1.00 35.11 A ATOM 348 HB1 LYS 20 8.469 -10.483 0.436 1.00 5.24 A ATOM 349 HB2 LYS 20 7.462 -9.744 -0.801 1.00 52.04 A ATOM 350 CG LYS 20 6.881 -11.748 -0.282 1.00 31.35 A ATOM 351 HG1 LYS 20 7.561 -12.215 -0.989 1.00 32.44 A ATOM 352 HG2 LYS 20 5.926 -11.609 -0.764 1.00 54.11 A ATOM 353 CD LYS 20 6.689 -12.708 0.921 1.00 11.53 A ATOM 354 HD1 LYS 20 6.272 -13.640 0.551 1.00 54.42 A ATOM 355 HD2 LYS 20 5.987 -12.266 1.617 1.00 44.22 A ATOM 356 CE LYS 20 7.999 -13.024 1.668 1.00 52.41 A ATOM 357 HE1 LYS 20 8.433 -12.097 2.024 1.00 1.31 A ATOM 358 HE2 LYS 20 8.691 -13.504 0.988 1.00 74.24 A ATOM 359 NZ LYS 20 7.763 -13.922 2.832 1.00 73.43 A ATOM 360 HZ1 LYS 20 8.664 -14.192 3.269 1.00 11.40 A ATOM 361 HZ2 LYS 20 7.263 -14.783 2.533 1.00 30.51 A ATOM 362 HZ3 LYS 20 7.183 -13.433 3.545 1.00 32.42 A ATOM 363 C LYS 20 7.386 -8.309 1.636 1.00 71.41 A ATOM 364 O LYS 20 7.910 -8.256 2.751 1.00 13.44 A ATOM 365 N GLU 21 7.407 -7.293 0.739 1.00 3.22 A ATOM 366 HN GLU 21 7.076 -7.488 -0.163 1.00 25.24 A ATOM 367 CA GLU 21 7.984 -5.946 1.014 1.00 42.21 A ATOM 368 HA GLU 21 9.063 -6.041 0.969 1.00 73.22 A ATOM 369 CB GLU 21 7.520 -4.927 -0.070 1.00 63.53 A ATOM 370 HB1 GLU 21 7.812 -3.928 0.237 1.00 41.11 A ATOM 371 HB2 GLU 21 6.437 -4.961 -0.124 1.00 24.23 A ATOM 372 CG GLU 21 8.070 -5.168 -1.489 1.00 70.03 A ATOM 373 HG1 GLU 21 7.625 -4.439 -2.163 1.00 24.15 A ATOM 374 HG2 GLU 21 7.775 -6.160 -1.812 1.00 33.21 A ATOM 375 CD GLU 21 9.598 -5.042 -1.570 1.00 2.51 A ATOM 376 OE1 GLU 21 10.293 -6.070 -1.731 1.00 4.40 A ATOM 377 OE2 GLU 21 10.113 -3.910 -1.444 1.00 44.23 A ATOM 378 C GLU 21 7.577 -5.414 2.408 1.00 52.40 A ATOM 379 O GLU 21 8.430 -5.131 3.257 1.00 13.14 A ATOM 380 N VAL 22 6.258 -5.399 2.637 1.00 72.11 A ATOM 381 HN VAL 22 5.681 -5.867 1.994 1.00 11.30 A ATOM 382 CA VAL 22 5.636 -4.741 3.797 1.00 54.45 A ATOM 383 HA VAL 22 6.217 -3.845 4.017 1.00 0.33 A ATOM 384 CB VAL 22 4.177 -4.289 3.450 1.00 42.03 A ATOM 385 HB VAL 22 3.836 -3.619 4.239 1.00 2.33 A ATOM 386 CG1 VAL 22 4.166 -3.494 2.124 1.00 61.31 A ATOM 387 HG11 VAL 22 4.793 -2.618 2.216 1.00 60.10 A ATOM 388 HG12 VAL 22 3.160 -3.181 1.888 1.00 12.14 A ATOM 389 HG13 VAL 22 4.541 -4.115 1.320 1.00 14.33 A ATOM 390 CG2 VAL 22 3.204 -5.482 3.391 1.00 11.11 A ATOM 391 HG21 VAL 22 3.164 -5.965 4.360 1.00 51.52 A ATOM 392 HG22 VAL 22 3.543 -6.194 2.653 1.00 52.35 A ATOM 393 HG23 VAL 22 2.213 -5.134 3.125 1.00 33.11 A ATOM 394 C VAL 22 5.651 -5.641 5.043 1.00 73.02 A ATOM 395 O VAL 22 5.546 -5.142 6.161 1.00 73.12 A ATOM 396 N GLU 23 5.785 -6.963 4.827 1.00 52.02 A ATOM 397 HN GLU 23 5.749 -7.283 3.900 1.00 5.13 A ATOM 398 CA GLU 23 5.964 -7.960 5.903 1.00 33.03 A ATOM 399 HA GLU 23 5.094 -7.919 6.548 1.00 43.31 A ATOM 400 CB GLU 23 6.080 -9.371 5.280 1.00 61.21 A ATOM 401 HB1 GLU 23 6.878 -9.356 4.541 1.00 61.13 A ATOM 402 HB2 GLU 23 5.151 -9.590 4.767 1.00 1.24 A ATOM 403 CG GLU 23 6.353 -10.522 6.262 1.00 23.55 A ATOM 404 HG1 GLU 23 5.530 -10.589 6.965 1.00 40.02 A ATOM 405 HG2 GLU 23 7.265 -10.309 6.813 1.00 40.32 A ATOM 406 CD GLU 23 6.509 -11.869 5.541 1.00 52.14 A ATOM 407 OE1 GLU 23 7.633 -12.196 5.110 1.00 44.23 A ATOM 408 OE2 GLU 23 5.507 -12.601 5.384 1.00 72.01 A ATOM 409 C GLU 23 7.216 -7.628 6.723 1.00 2.01 A ATOM 410 O GLU 23 7.172 -7.593 7.957 1.00 12.44 A ATOM 411 N ASN 24 8.317 -7.338 5.999 1.00 1.31 A ATOM 412 HN ASN 24 8.259 -7.398 5.021 1.00 42.11 A ATOM 413 CA ASN 24 9.601 -6.936 6.608 1.00 63.42 A ATOM 414 HA ASN 24 9.867 -7.694 7.343 1.00 61.50 A ATOM 415 CB ASN 24 10.731 -6.855 5.537 1.00 11.05 A ATOM 416 HB1 ASN 24 11.640 -6.497 6.004 1.00 1.33 A ATOM 417 HB2 ASN 24 10.441 -6.148 4.769 1.00 34.52 A ATOM 418 CG ASN 24 11.038 -8.205 4.867 1.00 4.42 A ATOM 419 OD1 ASN 24 11.830 -9.005 5.370 1.00 51.52 A ATOM 420 ND2 ASN 24 10.463 -8.444 3.702 1.00 5.02 A ATOM 421 HD21 ASN 24 9.881 -7.754 3.321 1.00 64.04 A ATOM 422 HD22 ASN 24 10.630 -9.309 3.273 1.00 50.24 A ATOM 423 C ASN 24 9.460 -5.580 7.332 1.00 70.12 A ATOM 424 O ASN 24 10.146 -5.327 8.321 1.00 24.13 A ATOM 425 N GLN 25 8.539 -4.725 6.835 1.00 31.54 A ATOM 426 HN GLN 25 8.012 -5.007 6.057 1.00 74.15 A ATOM 427 CA GLN 25 8.282 -3.382 7.407 1.00 43.12 A ATOM 428 HA GLN 25 9.229 -2.980 7.755 1.00 40.43 A ATOM 429 CB GLN 25 7.708 -2.432 6.316 1.00 12.22 A ATOM 430 HB1 GLN 25 7.705 -1.421 6.705 1.00 61.00 A ATOM 431 HB2 GLN 25 6.678 -2.717 6.116 1.00 24.23 A ATOM 432 CG GLN 25 8.461 -2.423 4.965 1.00 74.22 A ATOM 433 HG1 GLN 25 8.000 -1.688 4.317 1.00 42.43 A ATOM 434 HG2 GLN 25 8.347 -3.395 4.511 1.00 61.12 A ATOM 435 CD GLN 25 9.951 -2.109 5.069 1.00 23.40 A ATOM 436 OE1 GLN 25 10.361 -0.949 5.025 1.00 72.41 A ATOM 437 NE2 GLN 25 10.774 -3.141 5.159 1.00 43.02 A ATOM 438 HE21 GLN 25 10.389 -4.042 5.154 1.00 0.01 A ATOM 439 HE22 GLN 25 11.733 -2.963 5.231 1.00 1.51 A ATOM 440 C GLN 25 7.308 -3.447 8.615 1.00 55.42 A ATOM 441 O GLN 25 6.990 -2.405 9.210 1.00 61.22 A ATOM 442 N GLY 26 6.846 -4.670 8.967 1.00 11.11 A ATOM 443 HN GLY 26 7.167 -5.453 8.476 1.00 60.25 A ATOM 444 CA GLY 26 5.948 -4.884 10.112 1.00 0.34 A ATOM 445 HA1 GLY 26 6.325 -4.329 10.963 1.00 63.25 A ATOM 446 HA2 GLY 26 5.969 -5.936 10.361 1.00 22.23 A ATOM 447 C GLY 26 4.490 -4.489 9.868 1.00 72.22 A ATOM 448 O GLY 26 3.782 -4.112 10.807 1.00 54.22 A ATOM 449 N TYR 27 4.029 -4.578 8.613 1.00 22.12 A ATOM 450 HN TYR 27 4.650 -4.840 7.905 1.00 50.33 A ATOM 451 CA TYR 27 2.613 -4.327 8.254 1.00 52.42 A ATOM 452 HA TYR 27 2.139 -3.805 9.088 1.00 3.22 A ATOM 453 CB TYR 27 2.491 -3.438 6.978 1.00 52.14 A ATOM 454 HB1 TYR 27 1.466 -3.471 6.617 1.00 23.25 A ATOM 455 HB2 TYR 27 3.138 -3.837 6.205 1.00 5.00 A ATOM 456 CG TYR 27 2.869 -1.962 7.183 1.00 75.23 A ATOM 457 CD1 TYR 27 1.888 -0.965 7.320 1.00 53.43 A ATOM 458 HD1 TYR 27 0.842 -1.244 7.275 1.00 42.44 A ATOM 459 CD2 TYR 27 4.203 -1.561 7.250 1.00 64.24 A ATOM 460 HD2 TYR 27 4.980 -2.308 7.149 1.00 43.31 A ATOM 461 CE1 TYR 27 2.233 0.364 7.504 1.00 40.43 A ATOM 462 HE1 TYR 27 1.457 1.113 7.605 1.00 23.54 A ATOM 463 CE2 TYR 27 4.550 -0.234 7.434 1.00 12.34 A ATOM 464 HE2 TYR 27 5.595 0.048 7.477 1.00 12.24 A ATOM 465 CZ TYR 27 3.563 0.726 7.565 1.00 42.44 A ATOM 466 OH TYR 27 3.913 2.052 7.756 1.00 2.04 A ATOM 467 HH TYR 27 4.649 2.279 7.174 1.00 50.42 A ATOM 468 C TYR 27 1.887 -5.667 8.036 1.00 73.22 A ATOM 469 O TYR 27 2.315 -6.484 7.208 1.00 60.43 A ATOM 470 N GLN 28 0.799 -5.889 8.799 1.00 32.11 A ATOM 471 HN GLN 28 0.561 -5.217 9.478 1.00 34.42 A ATOM 472 CA GLN 28 -0.066 -7.077 8.655 1.00 41.44 A ATOM 473 HA GLN 28 0.562 -7.919 8.372 1.00 41.30 A ATOM 474 CB GLN 28 -0.767 -7.411 10.005 1.00 4.23 A ATOM 475 HB1 GLN 28 -1.560 -8.130 9.822 1.00 2.13 A ATOM 476 HB2 GLN 28 -1.221 -6.502 10.386 1.00 65.21 A ATOM 477 CG GLN 28 0.154 -7.986 11.111 1.00 53.13 A ATOM 478 HG1 GLN 28 -0.386 -7.961 12.052 1.00 13.12 A ATOM 479 HG2 GLN 28 1.030 -7.354 11.196 1.00 64.44 A ATOM 480 CD GLN 28 0.630 -9.434 10.851 1.00 74.25 A ATOM 481 OE1 GLN 28 0.799 -9.870 9.712 1.00 75.13 A ATOM 482 NE2 GLN 28 0.834 -10.197 11.916 1.00 14.31 A ATOM 483 HE21 GLN 28 0.680 -9.812 12.801 1.00 12.23 A ATOM 484 HE22 GLN 28 1.138 -11.119 11.772 1.00 12.11 A ATOM 485 C GLN 28 -1.102 -6.826 7.547 1.00 1.44 A ATOM 486 O GLN 28 -1.888 -5.882 7.639 1.00 61.13 A ATOM 487 N VAL 29 -1.088 -7.663 6.501 1.00 53.34 A ATOM 488 HN VAL 29 -0.473 -8.426 6.524 1.00 21.32 A ATOM 489 CA VAL 29 -1.944 -7.490 5.318 1.00 24.11 A ATOM 490 HA VAL 29 -2.228 -6.438 5.266 1.00 61.14 A ATOM 491 CB VAL 29 -1.193 -7.849 3.987 1.00 61.13 A ATOM 492 HB VAL 29 -1.022 -8.925 3.973 1.00 24.45 A ATOM 493 CG1 VAL 29 -2.046 -7.491 2.740 1.00 33.31 A ATOM 494 HG11 VAL 29 -2.981 -8.040 2.770 1.00 25.00 A ATOM 495 HG12 VAL 29 -1.511 -7.758 1.840 1.00 35.31 A ATOM 496 HG13 VAL 29 -2.256 -6.430 2.730 1.00 44.00 A ATOM 497 CG2 VAL 29 0.185 -7.162 3.936 1.00 70.53 A ATOM 498 HG21 VAL 29 0.781 -7.471 4.787 1.00 73.21 A ATOM 499 HG22 VAL 29 0.063 -6.087 3.958 1.00 40.32 A ATOM 500 HG23 VAL 29 0.702 -7.442 3.024 1.00 44.31 A ATOM 501 C VAL 29 -3.223 -8.339 5.425 1.00 64.52 A ATOM 502 O VAL 29 -3.196 -9.453 5.960 1.00 11.34 A ATOM 503 N ARG 30 -4.336 -7.784 4.925 1.00 64.12 A ATOM 504 HN ARG 30 -4.289 -6.854 4.616 1.00 31.03 A ATOM 505 CA ARG 30 -5.610 -8.495 4.771 1.00 53.03 A ATOM 506 HA ARG 30 -5.494 -9.518 5.132 1.00 2.22 A ATOM 507 CB ARG 30 -6.743 -7.791 5.567 1.00 15.04 A ATOM 508 HB1 ARG 30 -7.671 -8.329 5.400 1.00 40.02 A ATOM 509 HB2 ARG 30 -6.862 -6.787 5.175 1.00 44.32 A ATOM 510 CG ARG 30 -6.529 -7.676 7.090 1.00 21.13 A ATOM 511 HG1 ARG 30 -7.411 -7.212 7.524 1.00 74.15 A ATOM 512 HG2 ARG 30 -5.675 -7.039 7.278 1.00 74.52 A ATOM 513 CD ARG 30 -6.295 -9.026 7.784 1.00 35.24 A ATOM 514 HD1 ARG 30 -5.319 -9.403 7.510 1.00 5.45 A ATOM 515 HD2 ARG 30 -7.056 -9.728 7.460 1.00 23.44 A ATOM 516 NE ARG 30 -6.377 -8.893 9.247 1.00 54.41 A ATOM 517 HE ARG 30 -7.133 -8.361 9.587 1.00 11.12 A ATOM 518 CZ ARG 30 -5.526 -9.421 10.141 1.00 54.30 A ATOM 519 NH1 ARG 30 -4.476 -10.143 9.759 1.00 51.32 A ATOM 520 HH11 ARG 30 -4.301 -10.313 8.783 1.00 3.11 A ATOM 521 HH12 ARG 30 -3.853 -10.528 10.449 1.00 74.30 A ATOM 522 NH2 ARG 30 -5.753 -9.251 11.433 1.00 44.33 A ATOM 523 HH21 ARG 30 -6.552 -8.735 11.745 1.00 52.54 A ATOM 524 HH22 ARG 30 -5.121 -9.642 12.107 1.00 24.12 A ATOM 525 C ARG 30 -5.972 -8.515 3.279 1.00 43.44 A ATOM 526 O ARG 30 -6.125 -7.450 2.667 1.00 4.33 A ATOM 527 N ASP 31 -6.063 -9.716 2.701 1.00 14.25 A ATOM 528 HN ASP 31 -5.779 -10.493 3.223 1.00 30.23 A ATOM 529 CA ASP 31 -6.584 -9.914 1.340 1.00 30.12 A ATOM 530 HA ASP 31 -6.291 -9.061 0.724 1.00 61.11 A ATOM 531 CB ASP 31 -6.000 -11.213 0.726 1.00 54.22 A ATOM 532 HB1 ASP 31 -6.397 -11.344 -0.278 1.00 23.35 A ATOM 533 HB2 ASP 31 -6.309 -12.064 1.330 1.00 55.33 A ATOM 534 CG ASP 31 -4.459 -11.202 0.654 1.00 55.24 A ATOM 535 OD1 ASP 31 -3.899 -10.745 -0.365 1.00 3.44 A ATOM 536 OD2 ASP 31 -3.801 -11.658 1.618 1.00 65.21 A ATOM 537 C ASP 31 -8.120 -9.987 1.421 1.00 13.42 A ATOM 538 O ASP 31 -8.675 -10.890 2.066 1.00 75.21 A ATOM 539 N VAL 32 -8.797 -9.027 0.784 1.00 62.12 A ATOM 540 HN VAL 32 -8.295 -8.390 0.243 1.00 23.43 A ATOM 541 CA VAL 32 -10.256 -8.907 0.815 1.00 70.20 A ATOM 542 HA VAL 32 -10.664 -9.699 1.451 1.00 51.20 A ATOM 543 CB VAL 32 -10.717 -7.518 1.409 1.00 21.02 A ATOM 544 HB VAL 32 -10.321 -6.731 0.772 1.00 30.20 A ATOM 545 CG1 VAL 32 -12.261 -7.394 1.404 1.00 10.24 A ATOM 546 HG11 VAL 32 -12.552 -6.431 1.800 1.00 32.42 A ATOM 547 HG12 VAL 32 -12.695 -8.177 2.012 1.00 14.25 A ATOM 548 HG13 VAL 32 -12.629 -7.488 0.389 1.00 41.01 A ATOM 549 CG2 VAL 32 -10.137 -7.305 2.835 1.00 41.44 A ATOM 550 HG21 VAL 32 -10.512 -8.067 3.504 1.00 64.14 A ATOM 551 HG22 VAL 32 -10.422 -6.329 3.208 1.00 44.24 A ATOM 552 HG23 VAL 32 -9.055 -7.365 2.798 1.00 11.22 A ATOM 553 C VAL 32 -10.784 -9.089 -0.613 1.00 74.23 A ATOM 554 O VAL 32 -10.462 -8.316 -1.514 1.00 12.23 A ATOM 555 N ASN 33 -11.552 -10.157 -0.800 1.00 44.31 A ATOM 556 HN ASN 33 -11.626 -10.805 -0.070 1.00 12.14 A ATOM 557 CA ASN 33 -12.275 -10.457 -2.042 1.00 20.43 A ATOM 558 HA ASN 33 -12.388 -9.534 -2.609 1.00 2.12 A ATOM 559 CB ASN 33 -11.461 -11.484 -2.898 1.00 21.14 A ATOM 560 HB1 ASN 33 -10.590 -10.974 -3.305 1.00 12.11 A ATOM 561 HB2 ASN 33 -12.073 -11.827 -3.721 1.00 41.05 A ATOM 562 CG ASN 33 -10.973 -12.721 -2.120 1.00 3.14 A ATOM 563 OD1 ASN 33 -11.602 -13.175 -1.162 1.00 12.23 A ATOM 564 ND2 ASN 33 -9.838 -13.270 -2.531 1.00 1.15 A ATOM 565 HD21 ASN 33 -9.376 -12.863 -3.291 1.00 72.22 A ATOM 566 HD22 ASN 33 -9.506 -14.060 -2.054 1.00 62.15 A ATOM 567 C ASN 33 -13.683 -10.965 -1.674 1.00 55.32 A ATOM 568 O ASN 33 -14.391 -11.548 -2.498 1.00 52.01 A ATOM 569 N ASP 34 -14.079 -10.684 -0.408 1.00 42.03 A ATOM 570 HN ASP 34 -13.476 -10.170 0.168 1.00 10.11 A ATOM 571 CA ASP 34 -15.344 -11.134 0.188 1.00 63.25 A ATOM 572 HA ASP 34 -16.056 -11.320 -0.613 1.00 41.42 A ATOM 573 CB ASP 34 -15.089 -12.460 0.956 1.00 44.20 A ATOM 574 HB1 ASP 34 -14.301 -12.300 1.688 1.00 23.30 A ATOM 575 HB2 ASP 34 -14.747 -13.212 0.252 1.00 43.41 A ATOM 576 CG ASP 34 -16.329 -12.999 1.676 1.00 42.22 A ATOM 577 OD1 ASP 34 -16.491 -12.728 2.878 1.00 72.22 A ATOM 578 OD2 ASP 34 -17.155 -13.689 1.035 1.00 41.34 A ATOM 579 C ASP 34 -15.915 -10.040 1.128 1.00 12.54 A ATOM 580 O ASP 34 -15.160 -9.408 1.887 1.00 72.23 A ATOM 581 N SER 35 -17.246 -9.825 1.062 1.00 42.50 A ATOM 582 HN SER 35 -17.770 -10.335 0.409 1.00 71.21 A ATOM 583 CA SER 35 -17.963 -8.811 1.863 1.00 53.22 A ATOM 584 HA SER 35 -17.492 -7.849 1.665 1.00 14.54 A ATOM 585 CB SER 35 -19.428 -8.733 1.392 1.00 54.41 A ATOM 586 HB1 SER 35 -19.912 -9.690 1.542 1.00 64.44 A ATOM 587 HB2 SER 35 -19.448 -8.492 0.339 1.00 22.33 A ATOM 588 OG SER 35 -20.161 -7.739 2.092 1.00 25.22 A ATOM 589 HG SER 35 -20.378 -8.067 2.978 1.00 75.43 A ATOM 590 C SER 35 -17.902 -9.081 3.383 1.00 62.42 A ATOM 591 O SER 35 -17.698 -8.142 4.156 1.00 1.44 A ATOM 592 N ASP 36 -18.078 -10.352 3.800 1.00 25.42 A ATOM 593 HN ASP 36 -18.231 -11.050 3.129 1.00 51.05 A ATOM 594 CA ASP 36 -18.045 -10.725 5.238 1.00 32.12 A ATOM 595 HA ASP 36 -18.742 -10.065 5.753 1.00 11.22 A ATOM 596 CB ASP 36 -18.488 -12.198 5.472 1.00 32.54 A ATOM 597 HB1 ASP 36 -18.340 -12.450 6.521 1.00 3.10 A ATOM 598 HB2 ASP 36 -17.860 -12.849 4.874 1.00 52.50 A ATOM 599 CG ASP 36 -19.962 -12.471 5.110 1.00 25.41 A ATOM 600 OD1 ASP 36 -20.236 -13.144 4.090 1.00 21.54 A ATOM 601 OD2 ASP 36 -20.862 -12.001 5.839 1.00 35.34 A ATOM 602 C ASP 36 -16.641 -10.486 5.830 1.00 4.10 A ATOM 603 O ASP 36 -16.515 -10.111 6.995 1.00 34.33 A ATOM 604 N GLU 37 -15.595 -10.670 5.003 1.00 51.32 A ATOM 605 HN GLU 37 -15.772 -10.998 4.094 1.00 73.11 A ATOM 606 CA GLU 37 -14.206 -10.361 5.390 1.00 70.21 A ATOM 607 HA GLU 37 -14.000 -10.889 6.328 1.00 60.12 A ATOM 608 CB GLU 37 -13.216 -10.860 4.305 1.00 22.14 A ATOM 609 HB1 GLU 37 -12.247 -10.404 4.470 1.00 44.15 A ATOM 610 HB2 GLU 37 -13.579 -10.546 3.331 1.00 34.31 A ATOM 611 CG GLU 37 -13.025 -12.386 4.281 1.00 30.30 A ATOM 612 HG1 GLU 37 -12.426 -12.652 3.418 1.00 41.52 A ATOM 613 HG2 GLU 37 -13.998 -12.861 4.185 1.00 4.24 A ATOM 614 CD GLU 37 -12.326 -12.914 5.551 1.00 72.20 A ATOM 615 OE1 GLU 37 -13.016 -13.356 6.498 1.00 63.22 A ATOM 616 OE2 GLU 37 -11.078 -12.866 5.613 1.00 43.34 A ATOM 617 C GLU 37 -14.040 -8.853 5.628 1.00 53.34 A ATOM 618 O GLU 37 -13.489 -8.453 6.647 1.00 11.25 A ATOM 619 N LEU 38 -14.574 -8.041 4.691 1.00 64.54 A ATOM 620 HN LEU 38 -15.029 -8.456 3.918 1.00 41.03 A ATOM 621 CA LEU 38 -14.535 -6.558 4.755 1.00 62.24 A ATOM 622 HA LEU 38 -13.495 -6.259 4.709 1.00 55.22 A ATOM 623 CB LEU 38 -15.283 -5.975 3.506 1.00 24.15 A ATOM 624 HB1 LEU 38 -16.254 -6.463 3.439 1.00 52.04 A ATOM 625 HB2 LEU 38 -14.713 -6.280 2.632 1.00 0.14 A ATOM 626 CG LEU 38 -15.508 -4.407 3.430 1.00 61.51 A ATOM 627 HG LEU 38 -14.705 -3.906 3.961 1.00 52.51 A ATOM 628 CD1 LEU 38 -15.474 -3.913 1.976 1.00 70.00 A ATOM 629 HD11 LEU 38 -16.270 -4.377 1.407 1.00 24.35 A ATOM 630 HD12 LEU 38 -14.523 -4.159 1.530 1.00 61.01 A ATOM 631 HD13 LEU 38 -15.603 -2.835 1.954 1.00 30.41 A ATOM 632 CD2 LEU 38 -16.845 -3.961 4.073 1.00 53.41 A ATOM 633 HD21 LEU 38 -16.861 -4.249 5.116 1.00 44.32 A ATOM 634 HD22 LEU 38 -17.675 -4.430 3.560 1.00 53.31 A ATOM 635 HD23 LEU 38 -16.946 -2.884 4.000 1.00 51.13 A ATOM 636 C LEU 38 -15.147 -6.039 6.069 1.00 31.45 A ATOM 637 O LEU 38 -14.524 -5.252 6.796 1.00 34.10 A ATOM 638 N LYS 39 -16.359 -6.523 6.364 1.00 21.42 A ATOM 639 HN LYS 39 -16.729 -7.223 5.789 1.00 60.35 A ATOM 640 CA LYS 39 -17.163 -6.066 7.505 1.00 31.35 A ATOM 641 HA LYS 39 -17.188 -4.982 7.478 1.00 13.03 A ATOM 642 CB LYS 39 -18.608 -6.601 7.351 1.00 74.12 A ATOM 643 HB1 LYS 39 -19.179 -6.326 8.231 1.00 2.13 A ATOM 644 HB2 LYS 39 -18.571 -7.685 7.290 1.00 31.01 A ATOM 645 CG LYS 39 -19.354 -6.064 6.099 1.00 22.23 A ATOM 646 HG1 LYS 39 -18.721 -6.217 5.229 1.00 72.00 A ATOM 647 HG2 LYS 39 -19.530 -4.999 6.221 1.00 10.22 A ATOM 648 CD LYS 39 -20.713 -6.767 5.855 1.00 21.21 A ATOM 649 HD1 LYS 39 -20.536 -7.832 5.734 1.00 1.10 A ATOM 650 HD2 LYS 39 -21.148 -6.381 4.941 1.00 4.32 A ATOM 651 CE LYS 39 -21.719 -6.560 6.998 1.00 65.03 A ATOM 652 HE1 LYS 39 -21.944 -5.505 7.083 1.00 64.53 A ATOM 653 HE2 LYS 39 -21.283 -6.909 7.926 1.00 42.43 A ATOM 654 NZ LYS 39 -22.987 -7.301 6.755 1.00 72.02 A ATOM 655 HZ1 LYS 39 -23.408 -7.009 5.847 1.00 53.04 A ATOM 656 HZ2 LYS 39 -23.665 -7.099 7.512 1.00 52.22 A ATOM 657 HZ3 LYS 39 -22.810 -8.327 6.728 1.00 53.00 A ATOM 658 C LYS 39 -16.543 -6.511 8.846 1.00 64.22 A ATOM 659 O LYS 39 -16.499 -5.733 9.806 1.00 1.03 A ATOM 660 N LYS 40 -16.042 -7.761 8.890 1.00 60.33 A ATOM 661 HN LYS 40 -16.087 -8.309 8.081 1.00 63.01 A ATOM 662 CA LYS 40 -15.423 -8.338 10.100 1.00 1.43 A ATOM 663 HA LYS 40 -16.066 -8.081 10.939 1.00 63.40 A ATOM 664 CB LYS 40 -15.360 -9.890 10.005 1.00 15.10 A ATOM 665 HB1 LYS 40 -14.661 -10.270 10.738 1.00 14.22 A ATOM 666 HB2 LYS 40 -14.998 -10.159 9.019 1.00 23.03 A ATOM 667 CG LYS 40 -16.735 -10.583 10.231 1.00 24.23 A ATOM 668 HG1 LYS 40 -17.412 -10.282 9.438 1.00 74.25 A ATOM 669 HG2 LYS 40 -17.142 -10.237 11.176 1.00 1.11 A ATOM 670 CD LYS 40 -16.673 -12.137 10.272 1.00 1.33 A ATOM 671 HD1 LYS 40 -17.604 -12.501 10.701 1.00 2.44 A ATOM 672 HD2 LYS 40 -15.860 -12.435 10.915 1.00 64.41 A ATOM 673 CE LYS 40 -16.476 -12.811 8.895 1.00 14.44 A ATOM 674 HE1 LYS 40 -17.283 -12.506 8.235 1.00 34.52 A ATOM 675 HE2 LYS 40 -16.521 -13.886 9.028 1.00 51.00 A ATOM 676 NZ LYS 40 -15.171 -12.477 8.250 1.00 12.53 A ATOM 677 HZ1 LYS 40 -15.145 -11.475 7.987 1.00 34.24 A ATOM 678 HZ2 LYS 40 -15.036 -13.052 7.392 1.00 54.21 A ATOM 679 HZ3 LYS 40 -14.385 -12.674 8.905 1.00 31.54 A ATOM 680 C LYS 40 -14.037 -7.716 10.383 1.00 1.53 A ATOM 681 O LYS 40 -13.583 -7.721 11.537 1.00 54.12 A ATOM 682 N GLU 41 -13.364 -7.174 9.341 1.00 41.04 A ATOM 683 HN GLU 41 -13.683 -7.338 8.428 1.00 14.42 A ATOM 684 CA GLU 41 -12.151 -6.353 9.540 1.00 42.41 A ATOM 685 HA GLU 41 -11.497 -6.911 10.210 1.00 71.25 A ATOM 686 CB GLU 41 -11.376 -6.081 8.213 1.00 72.53 A ATOM 687 HB1 GLU 41 -10.600 -5.345 8.404 1.00 52.45 A ATOM 688 HB2 GLU 41 -12.067 -5.663 7.487 1.00 54.24 A ATOM 689 CG GLU 41 -10.704 -7.326 7.583 1.00 61.44 A ATOM 690 HG1 GLU 41 -9.975 -6.994 6.854 1.00 44.32 A ATOM 691 HG2 GLU 41 -11.465 -7.905 7.073 1.00 64.40 A ATOM 692 CD GLU 41 -9.990 -8.231 8.606 1.00 2.41 A ATOM 693 OE1 GLU 41 -9.125 -7.740 9.363 1.00 35.33 A ATOM 694 OE2 GLU 41 -10.308 -9.440 8.681 1.00 2.30 A ATOM 695 C GLU 41 -12.518 -5.029 10.221 1.00 41.11 A ATOM 696 O GLU 41 -11.869 -4.630 11.188 1.00 51.14 A ATOM 697 N MET 42 -13.612 -4.401 9.746 1.00 33.13 A ATOM 698 HN MET 42 -14.111 -4.820 9.012 1.00 21.25 A ATOM 699 CA MET 42 -14.107 -3.112 10.281 1.00 3.01 A ATOM 700 HA MET 42 -13.273 -2.412 10.250 1.00 75.20 A ATOM 701 CB MET 42 -15.249 -2.557 9.397 1.00 13.34 A ATOM 702 HB1 MET 42 -15.722 -1.722 9.902 1.00 11.34 A ATOM 703 HB2 MET 42 -15.988 -3.336 9.240 1.00 3.14 A ATOM 704 CG MET 42 -14.755 -2.073 8.048 1.00 62.30 A ATOM 705 HG1 MET 42 -15.585 -1.661 7.490 1.00 24.21 A ATOM 706 HG2 MET 42 -14.326 -2.905 7.499 1.00 51.10 A ATOM 707 SD MET 42 -13.507 -0.790 8.256 1.00 34.05 A ATOM 708 CE MET 42 -12.896 -0.659 6.594 1.00 22.44 A ATOM 709 HE1 MET 42 -12.068 0.030 6.574 1.00 15.44 A ATOM 710 HE2 MET 42 -13.682 -0.294 5.948 1.00 74.13 A ATOM 711 HE3 MET 42 -12.566 -1.627 6.251 1.00 73.14 A ATOM 712 C MET 42 -14.567 -3.235 11.730 1.00 22.12 A ATOM 713 O MET 42 -14.566 -2.246 12.464 1.00 40.20 A ATOM 714 N LYS 43 -14.970 -4.452 12.125 1.00 33.22 A ATOM 715 HN LYS 43 -15.081 -5.152 11.447 1.00 74.12 A ATOM 716 CA LYS 43 -15.261 -4.774 13.526 1.00 14.32 A ATOM 717 HA LYS 43 -16.013 -4.068 13.872 1.00 30.40 A ATOM 718 CB LYS 43 -15.834 -6.214 13.648 1.00 33.34 A ATOM 719 HB1 LYS 43 -15.873 -6.490 14.696 1.00 54.01 A ATOM 720 HB2 LYS 43 -15.162 -6.899 13.140 1.00 52.03 A ATOM 721 CG LYS 43 -17.249 -6.392 13.048 1.00 64.00 A ATOM 722 HG1 LYS 43 -17.523 -7.440 13.100 1.00 54.35 A ATOM 723 HG2 LYS 43 -17.224 -6.092 12.007 1.00 32.05 A ATOM 724 CD LYS 43 -18.331 -5.560 13.779 1.00 73.55 A ATOM 725 HD1 LYS 43 -19.283 -5.720 13.287 1.00 24.31 A ATOM 726 HD2 LYS 43 -18.074 -4.509 13.708 1.00 14.20 A ATOM 727 CE LYS 43 -18.471 -5.939 15.266 1.00 30.12 A ATOM 728 HE1 LYS 43 -17.515 -5.798 15.757 1.00 12.21 A ATOM 729 HE2 LYS 43 -18.761 -6.979 15.341 1.00 72.10 A ATOM 730 NZ LYS 43 -19.490 -5.106 15.959 1.00 22.02 A ATOM 731 HZ1 LYS 43 -19.520 -5.339 16.972 1.00 63.31 A ATOM 732 HZ2 LYS 43 -20.428 -5.270 15.553 1.00 63.42 A ATOM 733 HZ3 LYS 43 -19.256 -4.098 15.855 1.00 34.12 A ATOM 734 C LYS 43 -13.991 -4.601 14.378 1.00 5.32 A ATOM 735 O LYS 43 -13.950 -3.759 15.266 1.00 24.42 A ATOM 736 N LYS 44 -12.932 -5.334 14.001 1.00 1.52 A ATOM 737 HN LYS 44 -12.995 -5.822 13.153 1.00 73.52 A ATOM 738 CA LYS 44 -11.668 -5.402 14.769 1.00 62.12 A ATOM 739 HA LYS 44 -11.917 -5.694 15.786 1.00 31.42 A ATOM 740 CB LYS 44 -10.768 -6.503 14.177 1.00 34.32 A ATOM 741 HB1 LYS 44 -9.820 -6.512 14.706 1.00 62.32 A ATOM 742 HB2 LYS 44 -10.580 -6.282 13.130 1.00 20.23 A ATOM 743 CG LYS 44 -11.400 -7.907 14.283 1.00 11.22 A ATOM 744 HG1 LYS 44 -12.248 -7.962 13.609 1.00 72.33 A ATOM 745 HG2 LYS 44 -11.755 -8.055 15.300 1.00 24.54 A ATOM 746 CD LYS 44 -10.418 -9.036 13.940 1.00 24.43 A ATOM 747 HD1 LYS 44 -10.899 -9.971 14.170 1.00 13.32 A ATOM 748 HD2 LYS 44 -9.539 -8.933 14.566 1.00 71.11 A ATOM 749 CE LYS 44 -9.986 -9.036 12.466 1.00 53.10 A ATOM 750 HE1 LYS 44 -9.242 -9.808 12.319 1.00 74.23 A ATOM 751 HE2 LYS 44 -9.551 -8.077 12.220 1.00 24.43 A ATOM 752 NZ LYS 44 -11.123 -9.297 11.545 1.00 65.33 A ATOM 753 HZ1 LYS 44 -11.913 -8.660 11.758 1.00 61.20 A ATOM 754 HZ2 LYS 44 -11.450 -10.278 11.646 1.00 31.12 A ATOM 755 HZ3 LYS 44 -10.827 -9.147 10.563 1.00 43.12 A ATOM 756 C LYS 44 -10.930 -4.044 14.803 1.00 75.30 A ATOM 757 O LYS 44 -10.288 -3.700 15.810 1.00 53.01 A ATOM 758 N LEU 45 -11.045 -3.283 13.696 1.00 14.30 A ATOM 759 HN LEU 45 -11.584 -3.625 12.955 1.00 54.24 A ATOM 760 CA LEU 45 -10.414 -1.963 13.545 1.00 2.13 A ATOM 761 HA LEU 45 -9.386 -2.047 13.895 1.00 31.00 A ATOM 762 CB LEU 45 -10.396 -1.535 12.046 1.00 45.10 A ATOM 763 HB1 LEU 45 -10.006 -0.523 11.980 1.00 64.35 A ATOM 764 HB2 LEU 45 -11.423 -1.521 11.691 1.00 43.21 A ATOM 765 CG LEU 45 -9.557 -2.442 11.081 1.00 25.34 A ATOM 766 HG LEU 45 -9.958 -3.447 11.129 1.00 51.11 A ATOM 767 CD1 LEU 45 -9.698 -1.980 9.608 1.00 21.34 A ATOM 768 HD11 LEU 45 -9.321 -0.971 9.496 1.00 20.13 A ATOM 769 HD12 LEU 45 -10.742 -2.003 9.322 1.00 44.30 A ATOM 770 HD13 LEU 45 -9.142 -2.645 8.959 1.00 30.01 A ATOM 771 CD2 LEU 45 -8.072 -2.526 11.520 1.00 62.22 A ATOM 772 HD21 LEU 45 -7.627 -1.539 11.517 1.00 21.11 A ATOM 773 HD22 LEU 45 -7.527 -3.168 10.842 1.00 24.44 A ATOM 774 HD23 LEU 45 -8.015 -2.942 12.518 1.00 45.50 A ATOM 775 C LEU 45 -11.146 -0.921 14.414 1.00 63.21 A ATOM 776 O LEU 45 -10.518 -0.253 15.241 1.00 13.22 A ATOM 777 N ALA 46 -12.485 -0.831 14.258 1.00 0.24 A ATOM 778 HN ALA 46 -12.929 -1.451 13.637 1.00 50.40 A ATOM 779 CA ALA 46 -13.312 0.157 14.988 1.00 11.42 A ATOM 780 HA ALA 46 -12.880 1.140 14.805 1.00 64.33 A ATOM 781 CB ALA 46 -14.743 0.170 14.444 1.00 15.14 A ATOM 782 HB1 ALA 46 -15.214 -0.792 14.612 1.00 71.10 A ATOM 783 HB2 ALA 46 -14.720 0.373 13.382 1.00 21.35 A ATOM 784 HB3 ALA 46 -15.316 0.944 14.938 1.00 1.41 A ATOM 785 C ALA 46 -13.315 -0.099 16.507 1.00 70.03 A ATOM 786 O ALA 46 -13.372 0.842 17.303 1.00 15.54 A ATOM 787 N GLU 47 -13.250 -1.385 16.896 1.00 72.24 A ATOM 788 HN GLU 47 -13.296 -2.077 16.203 1.00 35.02 A ATOM 789 CA GLU 47 -13.146 -1.809 18.316 1.00 63.01 A ATOM 790 HA GLU 47 -13.907 -1.272 18.879 1.00 64.31 A ATOM 791 CB GLU 47 -13.419 -3.335 18.440 1.00 25.44 A ATOM 792 HB1 GLU 47 -13.113 -3.676 19.424 1.00 43.10 A ATOM 793 HB2 GLU 47 -12.813 -3.855 17.702 1.00 72.13 A ATOM 794 CG GLU 47 -14.895 -3.746 18.228 1.00 72.05 A ATOM 795 HG1 GLU 47 -15.215 -3.385 17.255 1.00 44.22 A ATOM 796 HG2 GLU 47 -15.508 -3.271 18.988 1.00 24.12 A ATOM 797 CD GLU 47 -15.115 -5.265 18.295 1.00 42.24 A ATOM 798 OE1 GLU 47 -15.262 -5.914 17.234 1.00 62.24 A ATOM 799 OE2 GLU 47 -15.138 -5.823 19.412 1.00 54.42 A ATOM 800 C GLU 47 -11.772 -1.477 18.930 1.00 64.52 A ATOM 801 O GLU 47 -11.585 -1.663 20.135 1.00 13.41 A ATOM 802 N GLU 48 -10.812 -1.029 18.082 1.00 10.34 A ATOM 803 HN GLU 48 -11.053 -0.914 17.140 1.00 54.35 A ATOM 804 CA GLU 48 -9.424 -0.684 18.486 1.00 70.03 A ATOM 805 HA GLU 48 -8.925 -0.331 17.589 1.00 22.13 A ATOM 806 CB GLU 48 -9.403 0.467 19.547 1.00 74.31 A ATOM 807 HB1 GLU 48 -8.375 0.675 19.817 1.00 14.03 A ATOM 808 HB2 GLU 48 -9.927 0.137 20.437 1.00 63.04 A ATOM 809 CG GLU 48 -10.038 1.786 19.067 1.00 52.31 A ATOM 810 HG1 GLU 48 -9.873 2.552 19.820 1.00 1.35 A ATOM 811 HG2 GLU 48 -11.107 1.632 18.953 1.00 15.22 A ATOM 812 CD GLU 48 -9.451 2.280 17.735 1.00 32.42 A ATOM 813 OE1 GLU 48 -8.214 2.214 17.554 1.00 43.11 A ATOM 814 OE2 GLU 48 -10.220 2.713 16.858 1.00 1.22 A ATOM 815 C GLU 48 -8.645 -1.918 18.980 1.00 13.13 A ATOM 816 O GLU 48 -7.520 -1.798 19.473 1.00 54.22 A ATOM 817 N LYS 49 -9.240 -3.097 18.765 1.00 31.12 A ATOM 818 HN LYS 49 -10.043 -3.110 18.210 1.00 73.41 A ATOM 819 CA LYS 49 -8.749 -4.381 19.277 1.00 15.54 A ATOM 820 HA LYS 49 -8.359 -4.227 20.277 1.00 51.41 A ATOM 821 CB LYS 49 -9.966 -5.338 19.346 1.00 11.42 A ATOM 822 HB1 LYS 49 -10.327 -5.505 18.335 1.00 72.41 A ATOM 823 HB2 LYS 49 -10.755 -4.840 19.903 1.00 2.15 A ATOM 824 CG LYS 49 -9.728 -6.719 20.000 1.00 62.00 A ATOM 825 HG1 LYS 49 -9.159 -6.575 20.916 1.00 40.43 A ATOM 826 HG2 LYS 49 -9.153 -7.339 19.322 1.00 53.51 A ATOM 827 CD LYS 49 -11.062 -7.437 20.344 1.00 5.24 A ATOM 828 HD1 LYS 49 -11.538 -6.913 21.167 1.00 65.15 A ATOM 829 HD2 LYS 49 -10.843 -8.452 20.658 1.00 14.34 A ATOM 830 CE LYS 49 -12.048 -7.496 19.159 1.00 1.31 A ATOM 831 HE1 LYS 49 -11.610 -8.077 18.356 1.00 3.22 A ATOM 832 HE2 LYS 49 -12.239 -6.490 18.806 1.00 30.44 A ATOM 833 NZ LYS 49 -13.342 -8.116 19.550 1.00 61.12 A ATOM 834 HZ1 LYS 49 -13.186 -9.081 19.904 1.00 44.13 A ATOM 835 HZ2 LYS 49 -13.984 -8.162 18.735 1.00 2.40 A ATOM 836 HZ3 LYS 49 -13.800 -7.556 20.299 1.00 33.44 A ATOM 837 C LYS 49 -7.617 -4.902 18.370 1.00 41.51 A ATOM 838 O LYS 49 -6.777 -5.708 18.788 1.00 62.31 A ATOM 839 N ASN 50 -7.626 -4.415 17.114 1.00 73.42 A ATOM 840 HN ASN 50 -8.425 -3.932 16.818 1.00 14.51 A ATOM 841 CA ASN 50 -6.518 -4.559 16.157 1.00 51.23 A ATOM 842 HA ASN 50 -5.728 -5.153 16.608 1.00 52.23 A ATOM 843 CB ASN 50 -7.006 -5.260 14.849 1.00 52.13 A ATOM 844 HB1 ASN 50 -7.724 -4.618 14.351 1.00 32.41 A ATOM 845 HB2 ASN 50 -7.499 -6.185 15.118 1.00 73.30 A ATOM 846 CG ASN 50 -5.883 -5.593 13.845 1.00 10.41 A ATOM 847 OD1 ASN 50 -4.805 -5.004 13.858 1.00 54.41 A ATOM 848 ND2 ASN 50 -6.146 -6.530 12.941 1.00 21.11 A ATOM 849 HD21 ASN 50 -7.023 -6.957 12.958 1.00 61.33 A ATOM 850 HD22 ASN 50 -5.444 -6.749 12.290 1.00 11.33 A ATOM 851 C ASN 50 -5.978 -3.147 15.859 1.00 12.12 A ATOM 852 O ASN 50 -6.342 -2.540 14.853 1.00 22.12 A ATOM 853 N PHE 51 -5.153 -2.619 16.780 1.00 21.11 A ATOM 854 HN PHE 51 -4.927 -3.156 17.566 1.00 25.23 A ATOM 855 CA PHE 51 -4.552 -1.267 16.652 1.00 54.15 A ATOM 856 HA PHE 51 -5.327 -0.593 16.289 1.00 61.43 A ATOM 857 CB PHE 51 -4.068 -0.765 18.049 1.00 53.45 A ATOM 858 HB1 PHE 51 -3.358 -1.480 18.455 1.00 22.41 A ATOM 859 HB2 PHE 51 -4.921 -0.715 18.715 1.00 53.53 A ATOM 860 CG PHE 51 -3.403 0.622 18.038 1.00 35.51 A ATOM 861 CD1 PHE 51 -2.014 0.763 18.191 1.00 51.51 A ATOM 862 HD1 PHE 51 -1.403 -0.120 18.326 1.00 23.32 A ATOM 863 CD2 PHE 51 -4.161 1.786 17.867 1.00 70.13 A ATOM 864 HD2 PHE 51 -5.237 1.717 17.745 1.00 55.02 A ATOM 865 CE1 PHE 51 -1.414 2.010 18.162 1.00 25.54 A ATOM 866 HE1 PHE 51 -0.340 2.100 18.279 1.00 11.34 A ATOM 867 CE2 PHE 51 -3.553 3.029 17.843 1.00 1.13 A ATOM 868 HE2 PHE 51 -4.154 3.919 17.707 1.00 70.03 A ATOM 869 CZ PHE 51 -2.185 3.142 17.993 1.00 1.43 A ATOM 870 HZ PHE 51 -1.716 4.118 17.968 1.00 53.11 A ATOM 871 C PHE 51 -3.386 -1.276 15.633 1.00 41.32 A ATOM 872 O PHE 51 -2.995 -0.217 15.122 1.00 41.53 A ATOM 873 N GLU 52 -2.865 -2.490 15.348 1.00 1.31 A ATOM 874 HN GLU 52 -3.281 -3.272 15.762 1.00 14.42 A ATOM 875 CA GLU 52 -1.711 -2.717 14.453 1.00 61.43 A ATOM 876 HA GLU 52 -0.851 -2.259 14.921 1.00 50.22 A ATOM 877 CB GLU 52 -1.451 -4.250 14.335 1.00 51.21 A ATOM 878 HB1 GLU 52 -2.324 -4.715 13.880 1.00 3.20 A ATOM 879 HB2 GLU 52 -1.340 -4.653 15.335 1.00 13.30 A ATOM 880 CG GLU 52 -0.203 -4.667 13.520 1.00 55.42 A ATOM 881 HG1 GLU 52 -0.325 -4.317 12.501 1.00 62.24 A ATOM 882 HG2 GLU 52 -0.139 -5.752 13.505 1.00 41.34 A ATOM 883 CD GLU 52 1.113 -4.106 14.091 1.00 24.45 A ATOM 884 OE1 GLU 52 1.634 -3.098 13.560 1.00 21.11 A ATOM 885 OE2 GLU 52 1.629 -4.657 15.090 1.00 45.24 A ATOM 886 C GLU 52 -1.909 -2.064 13.060 1.00 60.24 A ATOM 887 O GLU 52 -3.039 -1.887 12.590 1.00 32.24 A ATOM 888 N LYS 53 -0.787 -1.682 12.428 1.00 53.54 A ATOM 889 HN LYS 53 0.072 -1.893 12.840 1.00 22.15 A ATOM 890 CA LYS 53 -0.785 -1.003 11.132 1.00 23.53 A ATOM 891 HA LYS 53 -1.550 -0.231 11.154 1.00 41.11 A ATOM 892 CB LYS 53 0.594 -0.323 10.885 1.00 55.30 A ATOM 893 HB1 LYS 53 0.500 0.369 10.053 1.00 74.42 A ATOM 894 HB2 LYS 53 1.318 -1.085 10.610 1.00 10.04 A ATOM 895 CG LYS 53 1.156 0.458 12.105 1.00 72.31 A ATOM 896 HG1 LYS 53 2.061 0.972 11.802 1.00 71.42 A ATOM 897 HG2 LYS 53 1.405 -0.255 12.878 1.00 63.31 A ATOM 898 CD LYS 53 0.169 1.499 12.699 1.00 3.55 A ATOM 899 HD1 LYS 53 0.625 1.945 13.579 1.00 22.24 A ATOM 900 HD2 LYS 53 -0.742 0.995 12.998 1.00 32.24 A ATOM 901 CE LYS 53 -0.183 2.619 11.713 1.00 50.52 A ATOM 902 HE1 LYS 53 -0.880 3.298 12.186 1.00 4.53 A ATOM 903 HE2 LYS 53 -0.645 2.188 10.834 1.00 15.43 A ATOM 904 NZ LYS 53 1.019 3.382 11.297 1.00 70.43 A ATOM 905 HZ1 LYS 53 1.657 2.779 10.738 1.00 54.24 A ATOM 906 HZ2 LYS 53 1.534 3.715 12.138 1.00 43.42 A ATOM 907 HZ3 LYS 53 0.745 4.205 10.726 1.00 1.13 A ATOM 908 C LYS 53 -1.129 -2.013 10.028 1.00 3.34 A ATOM 909 O LYS 53 -0.282 -2.821 9.617 1.00 23.15 A ATOM 910 N ILE 54 -2.391 -1.980 9.577 1.00 31.41 A ATOM 911 HN ILE 54 -2.965 -1.220 9.813 1.00 11.34 A ATOM 912 CA ILE 54 -2.943 -2.990 8.674 1.00 64.42 A ATOM 913 HA ILE 54 -2.307 -3.873 8.718 1.00 13.13 A ATOM 914 CB ILE 54 -4.402 -3.427 9.097 1.00 53.12 A ATOM 915 HB ILE 54 -5.035 -2.541 9.060 1.00 24.41 A ATOM 916 CG1 ILE 54 -4.427 -3.986 10.556 1.00 34.10 A ATOM 917 HG11 ILE 54 -5.446 -4.243 10.821 1.00 73.04 A ATOM 918 HG12 ILE 54 -4.082 -3.220 11.231 1.00 44.54 A ATOM 919 CG2 ILE 54 -4.996 -4.462 8.112 1.00 53.15 A ATOM 920 HG21 ILE 54 -5.033 -4.040 7.115 1.00 10.13 A ATOM 921 HG22 ILE 54 -5.999 -4.727 8.419 1.00 55.15 A ATOM 922 HG23 ILE 54 -4.380 -5.354 8.099 1.00 25.04 A ATOM 923 CD1 ILE 54 -3.566 -5.220 10.800 1.00 73.34 A ATOM 924 HD11 ILE 54 -2.528 -4.985 10.606 1.00 22.30 A ATOM 925 HD12 ILE 54 -3.880 -6.027 10.152 1.00 74.33 A ATOM 926 HD13 ILE 54 -3.673 -5.528 11.830 1.00 0.53 A ATOM 927 C ILE 54 -2.953 -2.459 7.241 1.00 32.45 A ATOM 928 O ILE 54 -3.524 -1.404 6.963 1.00 42.12 A ATOM 929 N LEU 55 -2.284 -3.182 6.350 1.00 50.15 A ATOM 930 HN LEU 55 -1.703 -3.901 6.682 1.00 55.30 A ATOM 931 CA LEU 55 -2.372 -2.951 4.912 1.00 61.12 A ATOM 932 HA LEU 55 -2.564 -1.890 4.736 1.00 15.14 A ATOM 933 CB LEU 55 -1.022 -3.337 4.228 1.00 21.15 A ATOM 934 HB1 LEU 55 -0.921 -4.419 4.241 1.00 72.13 A ATOM 935 HB2 LEU 55 -0.227 -2.926 4.847 1.00 1.12 A ATOM 936 CG LEU 55 -0.797 -2.832 2.754 1.00 65.43 A ATOM 937 HG LEU 55 -1.152 -1.810 2.682 1.00 31.32 A ATOM 938 CD1 LEU 55 0.692 -2.808 2.394 1.00 22.31 A ATOM 939 HD11 LEU 55 0.822 -2.412 1.393 1.00 50.12 A ATOM 940 HD12 LEU 55 1.099 -3.812 2.431 1.00 42.14 A ATOM 941 HD13 LEU 55 1.225 -2.181 3.093 1.00 21.01 A ATOM 942 CD2 LEU 55 -1.572 -3.651 1.706 1.00 24.42 A ATOM 943 HD21 LEU 55 -2.632 -3.601 1.914 1.00 51.54 A ATOM 944 HD22 LEU 55 -1.252 -4.685 1.730 1.00 32.04 A ATOM 945 HD23 LEU 55 -1.386 -3.243 0.720 1.00 13.12 A ATOM 946 C LEU 55 -3.561 -3.776 4.389 1.00 24.23 A ATOM 947 O LEU 55 -3.660 -4.965 4.679 1.00 1.35 A ATOM 948 N ILE 56 -4.480 -3.143 3.661 1.00 11.34 A ATOM 949 HN ILE 56 -4.384 -2.178 3.507 1.00 12.53 A ATOM 950 CA ILE 56 -5.623 -3.833 3.051 1.00 51.23 A ATOM 951 HA ILE 56 -5.699 -4.838 3.474 1.00 53.13 A ATOM 952 CB ILE 56 -6.983 -3.082 3.325 1.00 11.25 A ATOM 953 HB ILE 56 -6.901 -2.091 2.879 1.00 71.31 A ATOM 954 CG1 ILE 56 -7.272 -2.897 4.856 1.00 72.23 A ATOM 955 HG11 ILE 56 -8.089 -2.196 4.979 1.00 52.24 A ATOM 956 HG12 ILE 56 -6.393 -2.484 5.331 1.00 24.21 A ATOM 957 CG2 ILE 56 -8.169 -3.798 2.623 1.00 4.20 A ATOM 958 HG21 ILE 56 -9.089 -3.262 2.823 1.00 52.44 A ATOM 959 HG22 ILE 56 -8.261 -4.810 2.995 1.00 72.33 A ATOM 960 HG23 ILE 56 -7.999 -3.825 1.554 1.00 11.51 A ATOM 961 CD1 ILE 56 -7.639 -4.165 5.618 1.00 63.50 A ATOM 962 HD11 ILE 56 -7.802 -3.919 6.657 1.00 73.14 A ATOM 963 HD12 ILE 56 -6.835 -4.882 5.542 1.00 52.11 A ATOM 964 HD13 ILE 56 -8.545 -4.592 5.208 1.00 52.23 A ATOM 965 C ILE 56 -5.396 -3.926 1.536 1.00 42.14 A ATOM 966 O ILE 56 -5.367 -2.896 0.851 1.00 23.51 A ATOM 967 N ILE 57 -5.190 -5.143 1.028 1.00 61.21 A ATOM 968 HN ILE 57 -5.003 -5.881 1.649 1.00 52.40 A ATOM 969 CA ILE 57 -5.258 -5.422 -0.413 1.00 33.15 A ATOM 970 HA ILE 57 -5.084 -4.488 -0.959 1.00 71.40 A ATOM 971 CB ILE 57 -4.184 -6.478 -0.887 1.00 33.20 A ATOM 972 HB ILE 57 -4.280 -7.354 -0.252 1.00 50.13 A ATOM 973 CG1 ILE 57 -2.749 -5.898 -0.715 1.00 43.10 A ATOM 974 HG11 ILE 57 -2.626 -5.566 0.308 1.00 30.00 A ATOM 975 HG12 ILE 57 -2.620 -5.050 -1.372 1.00 10.44 A ATOM 976 CG2 ILE 57 -4.432 -6.934 -2.355 1.00 43.10 A ATOM 977 HG21 ILE 57 -3.681 -7.657 -2.650 1.00 63.20 A ATOM 978 HG22 ILE 57 -4.383 -6.083 -3.018 1.00 22.20 A ATOM 979 HG23 ILE 57 -5.414 -7.391 -2.438 1.00 22.22 A ATOM 980 CD1 ILE 57 -1.622 -6.866 -1.003 1.00 52.00 A ATOM 981 HD11 ILE 57 -1.687 -7.223 -2.022 1.00 45.23 A ATOM 982 HD12 ILE 57 -1.693 -7.705 -0.319 1.00 55.42 A ATOM 983 HD13 ILE 57 -0.676 -6.367 -0.854 1.00 53.34 A ATOM 984 C ILE 57 -6.668 -5.925 -0.705 1.00 41.22 A ATOM 985 O ILE 57 -7.059 -6.979 -0.206 1.00 13.31 A ATOM 986 N SER 58 -7.435 -5.158 -1.477 1.00 23.53 A ATOM 987 HN SER 58 -7.065 -4.313 -1.817 1.00 63.21 A ATOM 988 CA SER 58 -8.781 -5.548 -1.888 1.00 32.51 A ATOM 989 HA SER 58 -9.055 -6.476 -1.379 1.00 70.40 A ATOM 990 CB SER 58 -9.811 -4.452 -1.513 1.00 33.33 A ATOM 991 HB1 SER 58 -9.591 -3.540 -2.054 1.00 44.41 A ATOM 992 HB2 SER 58 -9.756 -4.256 -0.449 1.00 63.53 A ATOM 993 OG SER 58 -11.133 -4.862 -1.816 1.00 22.25 A ATOM 994 HG SER 58 -11.439 -4.408 -2.602 1.00 61.22 A ATOM 995 C SER 58 -8.730 -5.796 -3.394 1.00 13.14 A ATOM 996 O SER 58 -8.373 -4.888 -4.149 1.00 1.33 A ATOM 997 N ASN 59 -9.029 -7.041 -3.812 1.00 20.32 A ATOM 998 HN ASN 59 -9.275 -7.716 -3.145 1.00 63.32 A ATOM 999 CA ASN 59 -8.983 -7.449 -5.231 1.00 54.43 A ATOM 1000 HA ASN 59 -8.018 -7.149 -5.633 1.00 3.12 A ATOM 1001 CB ASN 59 -9.138 -8.994 -5.375 1.00 15.15 A ATOM 1002 HB1 ASN 59 -9.103 -9.245 -6.431 1.00 3.23 A ATOM 1003 HB2 ASN 59 -10.102 -9.290 -4.982 1.00 64.01 A ATOM 1004 CG ASN 59 -8.064 -9.820 -4.646 1.00 43.41 A ATOM 1005 OD1 ASN 59 -7.551 -9.424 -3.599 1.00 42.10 A ATOM 1006 ND2 ASN 59 -7.721 -10.987 -5.186 1.00 75.23 A ATOM 1007 HD21 ASN 59 -8.162 -11.261 -6.017 1.00 34.41 A ATOM 1008 HD22 ASN 59 -7.033 -11.523 -4.734 1.00 52.13 A ATOM 1009 C ASN 59 -10.093 -6.747 -6.026 1.00 22.24 A ATOM 1010 O ASN 59 -9.918 -6.432 -7.207 1.00 11.14 A ATOM 1011 N ASP 60 -11.225 -6.492 -5.345 1.00 63.15 A ATOM 1012 HN ASP 60 -11.243 -6.697 -4.387 1.00 21.43 A ATOM 1013 CA ASP 60 -12.426 -5.883 -5.944 1.00 34.50 A ATOM 1014 HA ASP 60 -12.359 -5.994 -7.028 1.00 42.22 A ATOM 1015 CB ASP 60 -13.694 -6.621 -5.446 1.00 24.33 A ATOM 1016 HB1 ASP 60 -13.756 -6.532 -4.365 1.00 54.13 A ATOM 1017 HB2 ASP 60 -13.606 -7.673 -5.691 1.00 40.01 A ATOM 1018 CG ASP 60 -14.992 -6.088 -6.065 1.00 61.35 A ATOM 1019 OD1 ASP 60 -15.715 -5.336 -5.393 1.00 74.13 A ATOM 1020 OD2 ASP 60 -15.281 -6.401 -7.240 1.00 24.31 A ATOM 1021 C ASP 60 -12.482 -4.382 -5.593 1.00 11.22 A ATOM 1022 O ASP 60 -12.266 -4.000 -4.437 1.00 3.22 A ATOM 1023 N LYS 61 -12.784 -3.546 -6.599 1.00 0.04 A ATOM 1024 HN LYS 61 -13.013 -3.933 -7.470 1.00 72.13 A ATOM 1025 CA LYS 61 -12.779 -2.074 -6.467 1.00 12.03 A ATOM 1026 HA LYS 61 -11.917 -1.804 -5.859 1.00 51.35 A ATOM 1027 CB LYS 61 -12.604 -1.428 -7.859 1.00 1.53 A ATOM 1028 HB1 LYS 61 -12.678 -0.350 -7.761 1.00 25.44 A ATOM 1029 HB2 LYS 61 -13.408 -1.769 -8.505 1.00 25.44 A ATOM 1030 CG LYS 61 -11.259 -1.756 -8.545 1.00 4.14 A ATOM 1031 HG1 LYS 61 -11.236 -2.816 -8.778 1.00 13.04 A ATOM 1032 HG2 LYS 61 -10.450 -1.531 -7.855 1.00 71.42 A ATOM 1033 CD LYS 61 -11.041 -0.952 -9.848 1.00 4.24 A ATOM 1034 HD1 LYS 61 -11.105 0.108 -9.624 1.00 21.25 A ATOM 1035 HD2 LYS 61 -11.818 -1.211 -10.559 1.00 42.50 A ATOM 1036 CE LYS 61 -9.674 -1.239 -10.487 1.00 54.42 A ATOM 1037 HE1 LYS 61 -9.617 -2.290 -10.743 1.00 51.35 A ATOM 1038 HE2 LYS 61 -8.894 -1.004 -9.775 1.00 64.42 A ATOM 1039 NZ LYS 61 -9.449 -0.438 -11.717 1.00 64.33 A ATOM 1040 HZ1 LYS 61 -9.533 0.575 -11.506 1.00 34.52 A ATOM 1041 HZ2 LYS 61 -10.143 -0.687 -12.450 1.00 73.52 A ATOM 1042 HZ3 LYS 61 -8.493 -0.620 -12.087 1.00 71.41 A ATOM 1043 C LYS 61 -14.042 -1.528 -5.760 1.00 1.14 A ATOM 1044 O LYS 61 -14.005 -0.424 -5.197 1.00 41.43 A ATOM 1045 N GLN 62 -15.149 -2.296 -5.780 1.00 62.33 A ATOM 1046 HN GLN 62 -15.135 -3.138 -6.285 1.00 2.53 A ATOM 1047 CA GLN 62 -16.369 -1.926 -5.025 1.00 75.14 A ATOM 1048 HA GLN 62 -16.548 -0.864 -5.195 1.00 41.52 A ATOM 1049 CB GLN 62 -17.614 -2.721 -5.507 1.00 42.25 A ATOM 1050 HB1 GLN 62 -17.367 -3.781 -5.492 1.00 73.02 A ATOM 1051 HB2 GLN 62 -17.824 -2.441 -6.533 1.00 24.23 A ATOM 1052 CG GLN 62 -18.915 -2.518 -4.678 1.00 3.44 A ATOM 1053 HG1 GLN 62 -18.687 -2.723 -3.637 1.00 62.01 A ATOM 1054 HG2 GLN 62 -19.644 -3.247 -5.011 1.00 14.13 A ATOM 1055 CD GLN 62 -19.567 -1.120 -4.752 1.00 51.31 A ATOM 1056 OE1 GLN 62 -18.915 -0.093 -4.947 1.00 4.12 A ATOM 1057 NE2 GLN 62 -20.879 -1.073 -4.581 1.00 40.53 A ATOM 1058 HE21 GLN 62 -21.354 -1.913 -4.415 1.00 13.44 A ATOM 1059 HE22 GLN 62 -21.319 -0.198 -4.610 1.00 51.22 A ATOM 1060 C GLN 62 -16.112 -2.142 -3.521 1.00 61.22 A ATOM 1061 O GLN 62 -16.454 -1.286 -2.711 1.00 52.21 A ATOM 1062 N LEU 63 -15.448 -3.269 -3.173 1.00 61.02 A ATOM 1063 HN LEU 63 -15.221 -3.920 -3.867 1.00 51.04 A ATOM 1064 CA LEU 63 -15.027 -3.567 -1.787 1.00 62.41 A ATOM 1065 HA LEU 63 -15.909 -3.502 -1.153 1.00 50.11 A ATOM 1066 CB LEU 63 -14.438 -5.003 -1.689 1.00 10.11 A ATOM 1067 HB1 LEU 63 -13.991 -5.125 -0.705 1.00 23.34 A ATOM 1068 HB2 LEU 63 -13.648 -5.088 -2.426 1.00 1.13 A ATOM 1069 CG LEU 63 -15.436 -6.178 -1.910 1.00 43.30 A ATOM 1070 HG LEU 63 -15.848 -6.093 -2.908 1.00 52.40 A ATOM 1071 CD1 LEU 63 -14.716 -7.542 -1.835 1.00 5.14 A ATOM 1072 HD11 LEU 63 -15.424 -8.344 -2.011 1.00 11.52 A ATOM 1073 HD12 LEU 63 -14.266 -7.676 -0.857 1.00 4.42 A ATOM 1074 HD13 LEU 63 -13.941 -7.585 -2.589 1.00 31.12 A ATOM 1075 CD2 LEU 63 -16.614 -6.107 -0.914 1.00 22.05 A ATOM 1076 HD21 LEU 63 -16.243 -6.159 0.102 1.00 4.44 A ATOM 1077 HD22 LEU 63 -17.292 -6.928 -1.092 1.00 41.50 A ATOM 1078 HD23 LEU 63 -17.147 -5.175 -1.054 1.00 35.51 A ATOM 1079 C LEU 63 -13.990 -2.542 -1.301 1.00 24.42 A ATOM 1080 O LEU 63 -13.921 -2.240 -0.112 1.00 75.31 A ATOM 1081 N LEU 64 -13.178 -2.031 -2.238 1.00 63.40 A ATOM 1082 HN LEU 64 -13.216 -2.407 -3.143 1.00 71.55 A ATOM 1083 CA LEU 64 -12.233 -0.940 -1.965 1.00 41.32 A ATOM 1084 HA LEU 64 -11.585 -1.265 -1.155 1.00 74.45 A ATOM 1085 CB LEU 64 -11.360 -0.676 -3.225 1.00 24.35 A ATOM 1086 HB1 LEU 64 -12.025 -0.567 -4.080 1.00 72.03 A ATOM 1087 HB2 LEU 64 -10.769 -1.572 -3.389 1.00 14.41 A ATOM 1088 CG LEU 64 -10.388 0.563 -3.196 1.00 34.24 A ATOM 1089 HG LEU 64 -10.012 0.697 -2.188 1.00 22.30 A ATOM 1090 CD1 LEU 64 -9.188 0.325 -4.106 1.00 64.31 A ATOM 1091 HD11 LEU 64 -8.636 -0.536 -3.759 1.00 21.21 A ATOM 1092 HD12 LEU 64 -8.536 1.191 -4.084 1.00 51.22 A ATOM 1093 HD13 LEU 64 -9.519 0.154 -5.123 1.00 63.53 A ATOM 1094 CD2 LEU 64 -11.085 1.879 -3.615 1.00 44.02 A ATOM 1095 HD21 LEU 64 -11.889 2.099 -2.927 1.00 43.30 A ATOM 1096 HD22 LEU 64 -11.490 1.780 -4.612 1.00 34.02 A ATOM 1097 HD23 LEU 64 -10.372 2.694 -3.598 1.00 73.44 A ATOM 1098 C LEU 64 -12.993 0.319 -1.512 1.00 43.23 A ATOM 1099 O LEU 64 -12.611 0.956 -0.521 1.00 12.21 A ATOM 1100 N LYS 65 -14.062 0.665 -2.263 1.00 31.21 A ATOM 1101 HN LYS 65 -14.270 0.120 -3.054 1.00 13.43 A ATOM 1102 CA LYS 65 -14.933 1.811 -1.954 1.00 60.14 A ATOM 1103 HA LYS 65 -14.320 2.706 -1.987 1.00 1.00 A ATOM 1104 CB LYS 65 -16.067 1.933 -2.996 1.00 55.23 A ATOM 1105 HB1 LYS 65 -16.844 2.579 -2.590 1.00 54.52 A ATOM 1106 HB2 LYS 65 -16.499 0.949 -3.147 1.00 34.51 A ATOM 1107 CG LYS 65 -15.664 2.488 -4.376 1.00 22.41 A ATOM 1108 HG1 LYS 65 -14.924 1.824 -4.815 1.00 2.44 A ATOM 1109 HG2 LYS 65 -15.219 3.469 -4.247 1.00 12.43 A ATOM 1110 CD LYS 65 -16.868 2.609 -5.358 1.00 42.13 A ATOM 1111 HD1 LYS 65 -17.236 1.611 -5.574 1.00 11.15 A ATOM 1112 HD2 LYS 65 -16.514 3.053 -6.282 1.00 51.41 A ATOM 1113 CE LYS 65 -18.048 3.468 -4.826 1.00 23.34 A ATOM 1114 HE1 LYS 65 -18.694 3.718 -5.659 1.00 52.41 A ATOM 1115 HE2 LYS 65 -17.657 4.381 -4.401 1.00 41.13 A ATOM 1116 NZ LYS 65 -18.874 2.773 -3.782 1.00 44.34 A ATOM 1117 HZ1 LYS 65 -19.073 1.791 -4.070 1.00 24.31 A ATOM 1118 HZ2 LYS 65 -19.773 3.269 -3.659 1.00 13.04 A ATOM 1119 HZ3 LYS 65 -18.377 2.762 -2.865 1.00 63.41 A ATOM 1120 C LYS 65 -15.541 1.677 -0.550 1.00 43.40 A ATOM 1121 O LYS 65 -15.335 2.550 0.301 1.00 44.30 A ATOM 1122 N GLU 66 -16.245 0.545 -0.317 1.00 4.52 A ATOM 1123 HN GLU 66 -16.282 -0.133 -1.020 1.00 64.34 A ATOM 1124 CA GLU 66 -16.962 0.285 0.943 1.00 20.43 A ATOM 1125 HA GLU 66 -17.713 1.064 1.053 1.00 41.24 A ATOM 1126 CB GLU 66 -17.668 -1.097 0.911 1.00 31.23 A ATOM 1127 HB1 GLU 66 -18.307 -1.175 1.780 1.00 41.11 A ATOM 1128 HB2 GLU 66 -16.912 -1.872 0.980 1.00 32.12 A ATOM 1129 CG GLU 66 -18.523 -1.385 -0.339 1.00 43.14 A ATOM 1130 HG1 GLU 66 -19.106 -2.285 -0.155 1.00 65.02 A ATOM 1131 HG2 GLU 66 -17.858 -1.577 -1.168 1.00 35.41 A ATOM 1132 CD GLU 66 -19.489 -0.248 -0.725 1.00 54.23 A ATOM 1133 OE1 GLU 66 -20.578 -0.154 -0.119 1.00 21.24 A ATOM 1134 OE2 GLU 66 -19.170 0.558 -1.640 1.00 70.31 A ATOM 1135 C GLU 66 -15.999 0.346 2.136 1.00 10.13 A ATOM 1136 O GLU 66 -16.342 0.886 3.187 1.00 52.21 A ATOM 1137 N MET 67 -14.781 -0.189 1.919 1.00 23.12 A ATOM 1138 HN MET 67 -14.626 -0.646 1.065 1.00 64.03 A ATOM 1139 CA MET 67 -13.675 -0.149 2.890 1.00 73.00 A ATOM 1140 HA MET 67 -13.984 -0.710 3.765 1.00 13.12 A ATOM 1141 CB MET 67 -12.408 -0.813 2.267 1.00 2.15 A ATOM 1142 HB1 MET 67 -12.014 -0.151 1.499 1.00 53.02 A ATOM 1143 HB2 MET 67 -12.706 -1.737 1.788 1.00 14.31 A ATOM 1144 CG MET 67 -11.264 -1.143 3.248 1.00 71.10 A ATOM 1145 HG1 MET 67 -11.083 -0.286 3.883 1.00 41.21 A ATOM 1146 HG2 MET 67 -10.367 -1.355 2.679 1.00 75.14 A ATOM 1147 SD MET 67 -11.599 -2.569 4.307 1.00 41.31 A ATOM 1148 CE MET 67 -11.820 -3.874 3.099 1.00 72.45 A ATOM 1149 HE1 MET 67 -10.927 -3.964 2.495 1.00 41.53 A ATOM 1150 HE2 MET 67 -12.660 -3.636 2.464 1.00 62.41 A ATOM 1151 HE3 MET 67 -12.009 -4.808 3.606 1.00 3.55 A ATOM 1152 C MET 67 -13.368 1.312 3.291 1.00 15.44 A ATOM 1153 O MET 67 -13.485 1.679 4.454 1.00 45.54 A ATOM 1154 N LEU 68 -13.071 2.151 2.283 1.00 11.21 A ATOM 1155 HN LEU 68 -13.186 1.833 1.361 1.00 54.04 A ATOM 1156 CA LEU 68 -12.595 3.536 2.485 1.00 43.01 A ATOM 1157 HA LEU 68 -11.822 3.503 3.251 1.00 71.23 A ATOM 1158 CB LEU 68 -11.956 4.058 1.172 1.00 45.23 A ATOM 1159 HB1 LEU 68 -11.710 5.108 1.296 1.00 53.51 A ATOM 1160 HB2 LEU 68 -12.694 3.975 0.378 1.00 52.51 A ATOM 1161 CG LEU 68 -10.663 3.306 0.731 1.00 1.11 A ATOM 1162 HG LEU 68 -10.899 2.256 0.603 1.00 61.12 A ATOM 1163 CD1 LEU 68 -10.134 3.819 -0.616 1.00 45.43 A ATOM 1164 HD11 LEU 68 -9.268 3.239 -0.916 1.00 52.34 A ATOM 1165 HD12 LEU 68 -9.852 4.861 -0.534 1.00 2.25 A ATOM 1166 HD13 LEU 68 -10.903 3.717 -1.370 1.00 3.42 A ATOM 1167 CD2 LEU 68 -9.582 3.398 1.819 1.00 0.30 A ATOM 1168 HD21 LEU 68 -8.685 2.894 1.483 1.00 72.12 A ATOM 1169 HD22 LEU 68 -9.936 2.918 2.721 1.00 30.13 A ATOM 1170 HD23 LEU 68 -9.352 4.434 2.028 1.00 44.40 A ATOM 1171 C LEU 68 -13.702 4.485 2.977 1.00 4.42 A ATOM 1172 O LEU 68 -13.412 5.467 3.663 1.00 32.15 A ATOM 1173 N GLU 69 -14.959 4.183 2.636 1.00 75.44 A ATOM 1174 HN GLU 69 -15.114 3.388 2.082 1.00 10.54 A ATOM 1175 CA GLU 69 -16.121 4.983 3.068 1.00 42.42 A ATOM 1176 HA GLU 69 -15.850 6.035 2.979 1.00 24.21 A ATOM 1177 CB GLU 69 -17.332 4.703 2.141 1.00 65.43 A ATOM 1178 HB1 GLU 69 -18.206 5.203 2.541 1.00 24.31 A ATOM 1179 HB2 GLU 69 -17.523 3.632 2.125 1.00 62.23 A ATOM 1180 CG GLU 69 -17.119 5.185 0.682 1.00 12.02 A ATOM 1181 HG1 GLU 69 -16.257 4.669 0.274 1.00 33.32 A ATOM 1182 HG2 GLU 69 -16.908 6.250 0.692 1.00 74.12 A ATOM 1183 CD GLU 69 -18.331 4.933 -0.233 1.00 62.20 A ATOM 1184 OE1 GLU 69 -18.311 3.969 -1.040 1.00 12.31 A ATOM 1185 OE2 GLU 69 -19.324 5.690 -0.136 1.00 62.31 A ATOM 1186 C GLU 69 -16.439 4.698 4.552 1.00 5.42 A ATOM 1187 O GLU 69 -16.809 5.610 5.299 1.00 11.31 A ATOM 1188 N LEU 70 -16.252 3.429 4.969 1.00 73.13 A ATOM 1189 HN LEU 70 -16.098 2.738 4.289 1.00 3.13 A ATOM 1190 CA LEU 70 -16.302 3.025 6.392 1.00 52.11 A ATOM 1191 HA LEU 70 -17.226 3.421 6.810 1.00 32.20 A ATOM 1192 CB LEU 70 -16.322 1.473 6.515 1.00 70.43 A ATOM 1193 HB1 LEU 70 -16.134 1.201 7.549 1.00 23.53 A ATOM 1194 HB2 LEU 70 -15.508 1.080 5.913 1.00 53.32 A ATOM 1195 CG LEU 70 -17.652 0.779 6.066 1.00 74.43 A ATOM 1196 HG LEU 70 -17.911 1.139 5.075 1.00 35.12 A ATOM 1197 CD1 LEU 70 -17.498 -0.754 5.959 1.00 22.31 A ATOM 1198 HD11 LEU 70 -18.416 -1.190 5.586 1.00 54.41 A ATOM 1199 HD12 LEU 70 -17.275 -1.173 6.932 1.00 65.25 A ATOM 1200 HD13 LEU 70 -16.691 -0.989 5.277 1.00 64.43 A ATOM 1201 CD2 LEU 70 -18.812 1.160 7.008 1.00 2.34 A ATOM 1202 HD21 LEU 70 -19.724 0.691 6.668 1.00 30.44 A ATOM 1203 HD22 LEU 70 -18.945 2.234 7.003 1.00 21.02 A ATOM 1204 HD23 LEU 70 -18.593 0.830 8.016 1.00 74.41 A ATOM 1205 C LEU 70 -15.114 3.631 7.173 1.00 0.25 A ATOM 1206 O LEU 70 -15.287 4.103 8.298 1.00 74.11 A ATOM 1207 N ILE 71 -13.928 3.671 6.527 1.00 44.22 A ATOM 1208 HN ILE 71 -13.895 3.328 5.612 1.00 12.41 A ATOM 1209 CA ILE 71 -12.696 4.260 7.108 1.00 41.24 A ATOM 1210 HA ILE 71 -12.554 3.818 8.094 1.00 23.12 A ATOM 1211 CB ILE 71 -11.419 3.931 6.226 1.00 34.03 A ATOM 1212 HB ILE 71 -11.662 4.179 5.197 1.00 45.24 A ATOM 1213 CG1 ILE 71 -11.064 2.413 6.294 1.00 71.11 A ATOM 1214 HG11 ILE 71 -11.947 1.835 6.054 1.00 33.22 A ATOM 1215 HG12 ILE 71 -10.748 2.163 7.297 1.00 0.34 A ATOM 1216 CG2 ILE 71 -10.198 4.788 6.630 1.00 70.30 A ATOM 1217 HG21 ILE 71 -9.342 4.507 6.037 1.00 2.02 A ATOM 1218 HG22 ILE 71 -9.972 4.631 7.673 1.00 13.42 A ATOM 1219 HG23 ILE 71 -10.414 5.839 6.467 1.00 73.11 A ATOM 1220 CD1 ILE 71 -9.956 1.958 5.349 1.00 61.11 A ATOM 1221 HD11 ILE 71 -9.816 0.890 5.450 1.00 32.21 A ATOM 1222 HD12 ILE 71 -9.030 2.462 5.591 1.00 33.33 A ATOM 1223 HD13 ILE 71 -10.233 2.183 4.327 1.00 40.31 A ATOM 1224 C ILE 71 -12.859 5.785 7.267 1.00 3.24 A ATOM 1225 O ILE 71 -12.291 6.378 8.187 1.00 74.42 A ATOM 1226 N SER 72 -13.657 6.401 6.375 1.00 71.33 A ATOM 1227 HN SER 72 -14.089 5.864 5.674 1.00 11.11 A ATOM 1228 CA SER 72 -13.927 7.846 6.407 1.00 11.31 A ATOM 1229 HA SER 72 -12.971 8.357 6.478 1.00 73.45 A ATOM 1230 CB SER 72 -14.627 8.283 5.097 1.00 65.13 A ATOM 1231 HB1 SER 72 -15.595 7.802 5.020 1.00 3.23 A ATOM 1232 HB2 SER 72 -14.018 7.992 4.251 1.00 4.21 A ATOM 1233 OG SER 72 -14.813 9.689 5.043 1.00 42.24 A ATOM 1234 HG SER 72 -13.958 10.125 4.945 1.00 21.43 A ATOM 1235 C SER 72 -14.766 8.206 7.646 1.00 1.14 A ATOM 1236 O SER 72 -14.562 9.259 8.263 1.00 24.10 A ATOM 1237 N LYS 73 -15.681 7.290 8.018 1.00 4.32 A ATOM 1238 HN LYS 73 -15.811 6.500 7.448 1.00 30.32 A ATOM 1239 CA LYS 73 -16.511 7.403 9.235 1.00 62.52 A ATOM 1240 HA LYS 73 -16.964 8.392 9.247 1.00 22.31 A ATOM 1241 CB LYS 73 -17.629 6.330 9.191 1.00 20.34 A ATOM 1242 HB1 LYS 73 -18.246 6.433 10.077 1.00 50.25 A ATOM 1243 HB2 LYS 73 -17.167 5.347 9.204 1.00 25.20 A ATOM 1244 CG LYS 73 -18.546 6.420 7.949 1.00 1.44 A ATOM 1245 HG1 LYS 73 -17.927 6.361 7.060 1.00 13.13 A ATOM 1246 HG2 LYS 73 -19.057 7.379 7.956 1.00 3.50 A ATOM 1247 CD LYS 73 -19.605 5.294 7.892 1.00 75.21 A ATOM 1248 HD1 LYS 73 -19.094 4.336 7.852 1.00 3.20 A ATOM 1249 HD2 LYS 73 -20.195 5.413 6.990 1.00 11.32 A ATOM 1250 CE LYS 73 -20.557 5.301 9.102 1.00 71.23 A ATOM 1251 HE1 LYS 73 -19.994 5.075 10.000 1.00 52.51 A ATOM 1252 HE2 LYS 73 -21.316 4.540 8.957 1.00 25.52 A ATOM 1253 NZ LYS 73 -21.236 6.617 9.269 1.00 30.50 A ATOM 1254 HZ1 LYS 73 -20.532 7.376 9.366 1.00 31.04 A ATOM 1255 HZ2 LYS 73 -21.834 6.607 10.118 1.00 64.32 A ATOM 1256 HZ3 LYS 73 -21.834 6.818 8.440 1.00 31.10 A ATOM 1257 C LYS 73 -15.649 7.223 10.502 1.00 61.12 A ATOM 1258 O LYS 73 -15.849 7.907 11.511 1.00 12.03 A ATOM 1259 N LEU 74 -14.684 6.291 10.411 1.00 23.53 A ATOM 1260 HN LEU 74 -14.606 5.789 9.572 1.00 53.30 A ATOM 1261 CA LEU 74 -13.749 5.963 11.505 1.00 31.31 A ATOM 1262 HA LEU 74 -14.304 5.991 12.439 1.00 73.21 A ATOM 1263 CB LEU 74 -13.207 4.524 11.292 1.00 70.43 A ATOM 1264 HB1 LEU 74 -12.508 4.298 12.092 1.00 2.00 A ATOM 1265 HB2 LEU 74 -12.658 4.506 10.355 1.00 61.31 A ATOM 1266 CG LEU 74 -14.282 3.386 11.254 1.00 33.11 A ATOM 1267 HG LEU 74 -14.986 3.606 10.458 1.00 34.11 A ATOM 1268 CD1 LEU 74 -13.650 2.010 10.919 1.00 2.24 A ATOM 1269 HD11 LEU 74 -14.422 1.250 10.876 1.00 22.23 A ATOM 1270 HD12 LEU 74 -12.926 1.739 11.677 1.00 44.53 A ATOM 1271 HD13 LEU 74 -13.155 2.065 9.958 1.00 63.54 A ATOM 1272 CD2 LEU 74 -15.087 3.343 12.571 1.00 15.11 A ATOM 1273 HD21 LEU 74 -14.419 3.170 13.405 1.00 55.14 A ATOM 1274 HD22 LEU 74 -15.820 2.550 12.528 1.00 51.35 A ATOM 1275 HD23 LEU 74 -15.598 4.287 12.711 1.00 43.14 A ATOM 1276 C LEU 74 -12.594 6.993 11.594 1.00 32.25 A ATOM 1277 O LEU 74 -11.923 7.089 12.625 1.00 4.20 A ATOM 1278 N GLY 75 -12.385 7.747 10.494 1.00 4.15 A ATOM 1279 HN GLY 75 -12.924 7.557 9.699 1.00 20.44 A ATOM 1280 CA GLY 75 -11.403 8.836 10.425 1.00 74.44 A ATOM 1281 HA1 GLY 75 -11.567 9.505 11.263 1.00 32.42 A ATOM 1282 HA2 GLY 75 -11.586 9.389 9.517 1.00 71.45 A ATOM 1283 C GLY 75 -9.939 8.400 10.419 1.00 14.52 A ATOM 1284 O GLY 75 -9.081 9.148 10.902 1.00 3.35 A ATOM 1285 N TYR 76 -9.634 7.201 9.874 1.00 0.44 A ATOM 1286 HN TYR 76 -10.361 6.640 9.524 1.00 42.01 A ATOM 1287 CA TYR 76 -8.229 6.713 9.785 1.00 12.32 A ATOM 1288 HA TYR 76 -7.703 7.062 10.671 1.00 63.22 A ATOM 1289 CB TYR 76 -8.143 5.161 9.744 1.00 3.02 A ATOM 1290 HB1 TYR 76 -7.096 4.867 9.740 1.00 63.04 A ATOM 1291 HB2 TYR 76 -8.596 4.814 8.824 1.00 74.30 A ATOM 1292 CG TYR 76 -8.818 4.428 10.909 1.00 4.52 A ATOM 1293 CD1 TYR 76 -8.698 4.883 12.228 1.00 1.12 A ATOM 1294 HD1 TYR 76 -8.126 5.779 12.428 1.00 1.21 A ATOM 1295 CD2 TYR 76 -9.563 3.264 10.691 1.00 33.31 A ATOM 1296 HD2 TYR 76 -9.663 2.882 9.679 1.00 55.11 A ATOM 1297 CE1 TYR 76 -9.306 4.213 13.272 1.00 61.30 A ATOM 1298 HE1 TYR 76 -9.200 4.581 14.288 1.00 30.03 A ATOM 1299 CE2 TYR 76 -10.166 2.595 11.732 1.00 12.32 A ATOM 1300 HE2 TYR 76 -10.742 1.698 11.536 1.00 71.05 A ATOM 1301 CZ TYR 76 -10.037 3.072 13.016 1.00 64.03 A ATOM 1302 OH TYR 76 -10.649 2.407 14.049 1.00 24.24 A ATOM 1303 HH TYR 76 -11.052 3.041 14.658 1.00 24.05 A ATOM 1304 C TYR 76 -7.522 7.280 8.540 1.00 44.23 A ATOM 1305 O TYR 76 -8.156 7.476 7.493 1.00 14.43 A ATOM 1306 N LYS 77 -6.208 7.532 8.672 1.00 50.15 A ATOM 1307 HN LYS 77 -5.797 7.410 9.557 1.00 51.43 A ATOM 1308 CA LYS 77 -5.350 7.978 7.561 1.00 64.40 A ATOM 1309 HA LYS 77 -5.882 8.763 7.024 1.00 0.15 A ATOM 1310 CB LYS 77 -4.018 8.571 8.124 1.00 20.32 A ATOM 1311 HB1 LYS 77 -3.597 7.858 8.830 1.00 40.05 A ATOM 1312 HB2 LYS 77 -4.252 9.480 8.666 1.00 70.43 A ATOM 1313 CG LYS 77 -2.919 8.912 7.076 1.00 4.32 A ATOM 1314 HG1 LYS 77 -2.596 7.986 6.605 1.00 4.14 A ATOM 1315 HG2 LYS 77 -2.071 9.353 7.589 1.00 13.33 A ATOM 1316 CD LYS 77 -3.387 9.892 5.974 1.00 71.31 A ATOM 1317 HD1 LYS 77 -4.197 9.431 5.420 1.00 62.14 A ATOM 1318 HD2 LYS 77 -2.559 10.073 5.296 1.00 43.34 A ATOM 1319 CE LYS 77 -3.867 11.243 6.529 1.00 15.33 A ATOM 1320 HE1 LYS 77 -3.029 11.763 6.977 1.00 1.05 A ATOM 1321 HE2 LYS 77 -4.619 11.068 7.284 1.00 10.22 A ATOM 1322 NZ LYS 77 -4.453 12.099 5.466 1.00 14.53 A ATOM 1323 HZ1 LYS 77 -4.853 12.967 5.880 1.00 50.24 A ATOM 1324 HZ2 LYS 77 -5.208 11.588 4.969 1.00 24.45 A ATOM 1325 HZ3 LYS 77 -3.724 12.364 4.777 1.00 62.40 A ATOM 1326 C LYS 77 -5.074 6.808 6.606 1.00 5.45 A ATOM 1327 O LYS 77 -4.616 5.754 7.038 1.00 51.20 A ATOM 1328 N VAL 78 -5.382 6.992 5.314 1.00 42.52 A ATOM 1329 HN VAL 78 -5.823 7.832 5.057 1.00 40.53 A ATOM 1330 CA VAL 78 -5.101 5.982 4.276 1.00 42.13 A ATOM 1331 HA VAL 78 -4.515 5.187 4.739 1.00 32.23 A ATOM 1332 CB VAL 78 -6.424 5.329 3.704 1.00 72.30 A ATOM 1333 HB VAL 78 -7.066 6.129 3.353 1.00 14.44 A ATOM 1334 CG1 VAL 78 -6.153 4.386 2.505 1.00 13.02 A ATOM 1335 HG11 VAL 78 -5.494 3.582 2.809 1.00 22.14 A ATOM 1336 HG12 VAL 78 -5.689 4.940 1.699 1.00 40.32 A ATOM 1337 HG13 VAL 78 -7.084 3.967 2.152 1.00 65.20 A ATOM 1338 CG2 VAL 78 -7.182 4.575 4.813 1.00 25.24 A ATOM 1339 HG21 VAL 78 -8.091 4.142 4.408 1.00 54.22 A ATOM 1340 HG22 VAL 78 -7.443 5.259 5.609 1.00 51.44 A ATOM 1341 HG23 VAL 78 -6.560 3.783 5.214 1.00 50.41 A ATOM 1342 C VAL 78 -4.277 6.575 3.132 1.00 71.40 A ATOM 1343 O VAL 78 -4.497 7.719 2.700 1.00 72.52 A ATOM 1344 N PHE 79 -3.317 5.766 2.670 1.00 12.12 A ATOM 1345 HN PHE 79 -3.100 4.960 3.187 1.00 63.01 A ATOM 1346 CA PHE 79 -2.592 5.979 1.425 1.00 71.40 A ATOM 1347 HA PHE 79 -2.859 6.945 1.006 1.00 54.30 A ATOM 1348 CB PHE 79 -1.064 5.919 1.687 1.00 12.24 A ATOM 1349 HB1 PHE 79 -0.550 6.032 0.738 1.00 41.25 A ATOM 1350 HB2 PHE 79 -0.814 4.942 2.088 1.00 52.24 A ATOM 1351 CG PHE 79 -0.501 6.970 2.656 1.00 21.44 A ATOM 1352 CD1 PHE 79 0.080 8.149 2.184 1.00 24.13 A ATOM 1353 HD1 PHE 79 0.127 8.326 1.113 1.00 54.14 A ATOM 1354 CD2 PHE 79 -0.542 6.773 4.037 1.00 53.44 A ATOM 1355 HD2 PHE 79 -0.981 5.867 4.430 1.00 5.24 A ATOM 1356 CE1 PHE 79 0.594 9.094 3.054 1.00 51.54 A ATOM 1357 HE1 PHE 79 1.041 10.001 2.668 1.00 63.33 A ATOM 1358 CE2 PHE 79 -0.026 7.720 4.907 1.00 33.14 A ATOM 1359 HE2 PHE 79 -0.068 7.550 5.975 1.00 1.44 A ATOM 1360 CZ PHE 79 0.539 8.877 4.417 1.00 74.23 A ATOM 1361 HZ PHE 79 0.935 9.618 5.099 1.00 72.42 A ATOM 1362 C PHE 79 -3.017 4.844 0.465 1.00 12.14 A ATOM 1363 O PHE 79 -2.740 3.670 0.741 1.00 5.24 A ATOM 1364 N LEU 80 -3.713 5.194 -0.628 1.00 53.23 A ATOM 1365 HN LEU 80 -3.879 6.145 -0.784 1.00 72.44 A ATOM 1366 CA LEU 80 -4.239 4.221 -1.610 1.00 2.33 A ATOM 1367 HA LEU 80 -4.224 3.233 -1.146 1.00 73.04 A ATOM 1368 CB LEU 80 -5.718 4.560 -1.979 1.00 43.21 A ATOM 1369 HB1 LEU 80 -5.765 5.621 -2.220 1.00 1.13 A ATOM 1370 HB2 LEU 80 -6.327 4.396 -1.096 1.00 12.42 A ATOM 1371 CG LEU 80 -6.367 3.764 -3.177 1.00 52.33 A ATOM 1372 HG LEU 80 -5.797 3.975 -4.072 1.00 24.42 A ATOM 1373 CD1 LEU 80 -6.319 2.238 -2.980 1.00 52.23 A ATOM 1374 HD11 LEU 80 -5.293 1.922 -2.839 1.00 23.23 A ATOM 1375 HD12 LEU 80 -6.719 1.745 -3.857 1.00 14.10 A ATOM 1376 HD13 LEU 80 -6.902 1.956 -2.113 1.00 41.01 A ATOM 1377 CD2 LEU 80 -7.812 4.233 -3.442 1.00 25.32 A ATOM 1378 HD21 LEU 80 -8.425 4.055 -2.568 1.00 24.22 A ATOM 1379 HD22 LEU 80 -8.227 3.694 -4.284 1.00 44.23 A ATOM 1380 HD23 LEU 80 -7.813 5.291 -3.666 1.00 72.45 A ATOM 1381 C LEU 80 -3.353 4.183 -2.867 1.00 42.32 A ATOM 1382 O LEU 80 -2.866 5.218 -3.325 1.00 13.03 A ATOM 1383 N LEU 81 -3.154 2.968 -3.405 1.00 42.32 A ATOM 1384 HN LEU 81 -3.502 2.189 -2.921 1.00 3.05 A ATOM 1385 CA LEU 81 -2.433 2.734 -4.660 1.00 33.44 A ATOM 1386 HA LEU 81 -2.214 3.698 -5.120 1.00 41.54 A ATOM 1387 CB LEU 81 -1.099 1.996 -4.383 1.00 73.30 A ATOM 1388 HB1 LEU 81 -1.327 1.007 -3.993 1.00 43.43 A ATOM 1389 HB2 LEU 81 -0.560 2.542 -3.612 1.00 23.34 A ATOM 1390 CG LEU 81 -0.161 1.833 -5.615 1.00 74.55 A ATOM 1391 HG LEU 81 -0.694 1.287 -6.384 1.00 32.21 A ATOM 1392 CD1 LEU 81 0.209 3.204 -6.220 1.00 40.03 A ATOM 1393 HD11 LEU 81 -0.688 3.697 -6.572 1.00 32.41 A ATOM 1394 HD12 LEU 81 0.882 3.065 -7.055 1.00 51.20 A ATOM 1395 HD13 LEU 81 0.689 3.824 -5.473 1.00 60.11 A ATOM 1396 CD2 LEU 81 1.091 1.014 -5.256 1.00 75.21 A ATOM 1397 HD21 LEU 81 0.794 0.040 -4.889 1.00 44.20 A ATOM 1398 HD22 LEU 81 1.665 1.524 -4.491 1.00 55.04 A ATOM 1399 HD23 LEU 81 1.707 0.885 -6.137 1.00 31.23 A ATOM 1400 C LEU 81 -3.317 1.908 -5.617 1.00 64.14 A ATOM 1401 O LEU 81 -3.743 0.800 -5.276 1.00 0.11 A ATOM 1402 N LEU 82 -3.606 2.475 -6.796 1.00 73.14 A ATOM 1403 HN LEU 82 -3.280 3.384 -6.959 1.00 1.22 A ATOM 1404 CA LEU 82 -4.405 1.834 -7.856 1.00 41.30 A ATOM 1405 HA LEU 82 -4.827 0.905 -7.478 1.00 73.35 A ATOM 1406 CB LEU 82 -5.562 2.789 -8.270 1.00 41.23 A ATOM 1407 HB1 LEU 82 -6.089 2.351 -9.116 1.00 44.01 A ATOM 1408 HB2 LEU 82 -5.117 3.722 -8.608 1.00 33.40 A ATOM 1409 CG LEU 82 -6.613 3.128 -7.173 1.00 71.35 A ATOM 1410 HG LEU 82 -6.095 3.484 -6.291 1.00 33.34 A ATOM 1411 CD1 LEU 82 -7.564 4.259 -7.629 1.00 62.33 A ATOM 1412 HD11 LEU 82 -6.986 5.140 -7.874 1.00 22.44 A ATOM 1413 HD12 LEU 82 -8.251 4.503 -6.829 1.00 20.13 A ATOM 1414 HD13 LEU 82 -8.127 3.945 -8.500 1.00 31.10 A ATOM 1415 CD2 LEU 82 -7.402 1.869 -6.766 1.00 43.20 A ATOM 1416 HD21 LEU 82 -8.118 2.123 -5.996 1.00 31.40 A ATOM 1417 HD22 LEU 82 -6.719 1.124 -6.380 1.00 32.54 A ATOM 1418 HD23 LEU 82 -7.927 1.466 -7.623 1.00 44.20 A ATOM 1419 C LEU 82 -3.505 1.540 -9.068 1.00 35.45 A ATOM 1420 O LEU 82 -2.937 2.482 -9.642 1.00 4.32 A ATOM 1421 N GLN 83 -3.351 0.251 -9.446 1.00 4.54 A ATOM 1422 HN GLN 83 -3.770 -0.455 -8.907 1.00 21.52 A ATOM 1423 CA GLN 83 -2.578 -0.133 -10.644 1.00 14.14 A ATOM 1424 HA GLN 83 -1.965 0.723 -10.936 1.00 21.14 A ATOM 1425 CB GLN 83 -1.622 -1.334 -10.384 1.00 12.35 A ATOM 1426 HB1 GLN 83 -2.209 -2.221 -10.176 1.00 74.33 A ATOM 1427 HB2 GLN 83 -1.011 -1.111 -9.514 1.00 22.42 A ATOM 1428 CG GLN 83 -0.682 -1.632 -11.587 1.00 2.40 A ATOM 1429 HG1 GLN 83 -0.033 -0.771 -11.727 1.00 20.12 A ATOM 1430 HG2 GLN 83 -1.285 -1.761 -12.479 1.00 23.31 A ATOM 1431 CD GLN 83 0.188 -2.878 -11.439 1.00 43.10 A ATOM 1432 OE1 GLN 83 -0.176 -3.843 -10.772 1.00 74.20 A ATOM 1433 NE2 GLN 83 1.328 -2.882 -12.104 1.00 74.25 A ATOM 1434 HE21 GLN 83 1.554 -2.093 -12.647 1.00 64.24 A ATOM 1435 HE22 GLN 83 1.891 -3.678 -12.047 1.00 61.11 A ATOM 1436 C GLN 83 -3.518 -0.473 -11.799 1.00 11.13 A ATOM 1437 O GLN 83 -4.296 -1.432 -11.705 1.00 11.31 A ATOM 1438 N ASP 84 -3.426 0.313 -12.884 1.00 31.22 A ATOM 1439 HN ASP 84 -2.843 1.102 -12.836 1.00 53.42 A ATOM 1440 CA ASP 84 -4.132 0.071 -14.153 1.00 50.42 A ATOM 1441 HA ASP 84 -4.286 -0.998 -14.265 1.00 43.30 A ATOM 1442 CB ASP 84 -5.510 0.797 -14.211 1.00 42.04 A ATOM 1443 HB1 ASP 84 -5.906 0.734 -15.223 1.00 3.45 A ATOM 1444 HB2 ASP 84 -5.364 1.844 -13.976 1.00 10.41 A ATOM 1445 CG ASP 84 -6.561 0.226 -13.248 1.00 3.31 A ATOM 1446 OD1 ASP 84 -7.229 -0.767 -13.609 1.00 54.42 A ATOM 1447 OD2 ASP 84 -6.745 0.769 -12.140 1.00 34.21 A ATOM 1448 C ASP 84 -3.262 0.576 -15.306 1.00 31.14 A ATOM 1449 O ASP 84 -2.538 1.569 -15.161 1.00 22.33 A ATOM 1450 N GLN 85 -3.343 -0.116 -16.445 1.00 31.25 A ATOM 1451 HN GLN 85 -3.814 -0.976 -16.439 1.00 42.30 A ATOM 1452 CA GLN 85 -2.737 0.342 -17.710 1.00 3.24 A ATOM 1453 HA GLN 85 -1.817 0.875 -17.479 1.00 5.34 A ATOM 1454 CB GLN 85 -2.402 -0.872 -18.619 1.00 61.35 A ATOM 1455 HB1 GLN 85 -1.868 -0.514 -19.494 1.00 21.02 A ATOM 1456 HB2 GLN 85 -3.333 -1.320 -18.951 1.00 62.14 A ATOM 1457 CG GLN 85 -1.544 -1.979 -17.953 1.00 13.52 A ATOM 1458 HG1 GLN 85 -1.391 -2.777 -18.672 1.00 1.31 A ATOM 1459 HG2 GLN 85 -2.097 -2.378 -17.108 1.00 51.22 A ATOM 1460 CD GLN 85 -0.169 -1.506 -17.459 1.00 54.21 A ATOM 1461 OE1 GLN 85 0.446 -0.600 -18.024 1.00 40.44 A ATOM 1462 NE2 GLN 85 0.333 -2.129 -16.410 1.00 73.53 A ATOM 1463 HE21 GLN 85 -0.189 -2.852 -16.001 1.00 54.55 A ATOM 1464 HE22 GLN 85 1.203 -1.836 -16.075 1.00 33.50 A ATOM 1465 C GLN 85 -3.703 1.304 -18.428 1.00 35.35 A ATOM 1466 O GLN 85 -3.297 2.056 -19.314 1.00 62.25 A ATOM 1467 N ASP 86 -4.981 1.273 -18.012 1.00 62.13 A ATOM 1468 HN ASP 86 -5.215 0.698 -17.254 1.00 64.42 A ATOM 1469 CA ASP 86 -6.041 2.108 -18.580 1.00 40.45 A ATOM 1470 HA ASP 86 -5.806 2.308 -19.628 1.00 41.23 A ATOM 1471 CB ASP 86 -7.405 1.374 -18.502 1.00 5.53 A ATOM 1472 HB1 ASP 86 -8.184 2.021 -18.892 1.00 2.11 A ATOM 1473 HB2 ASP 86 -7.633 1.155 -17.463 1.00 35.32 A ATOM 1474 CG ASP 86 -7.415 0.067 -19.301 1.00 43.02 A ATOM 1475 OD1 ASP 86 -7.652 0.116 -20.527 1.00 31.10 A ATOM 1476 OD2 ASP 86 -7.177 -1.009 -18.710 1.00 4.52 A ATOM 1477 C ASP 86 -6.090 3.431 -17.816 1.00 20.50 A ATOM 1478 O ASP 86 -6.841 3.562 -16.848 1.00 33.42 A ATOM 1479 N GLU 87 -5.257 4.397 -18.242 1.00 64.15 A ATOM 1480 HN GLU 87 -4.723 4.239 -19.053 1.00 22.33 A ATOM 1481 CA GLU 87 -5.081 5.685 -17.545 1.00 34.34 A ATOM 1482 HA GLU 87 -4.784 5.459 -16.526 1.00 20.14 A ATOM 1483 CB GLU 87 -3.949 6.499 -18.210 1.00 32.33 A ATOM 1484 HB1 GLU 87 -3.871 7.460 -17.712 1.00 62.14 A ATOM 1485 HB2 GLU 87 -4.209 6.672 -19.251 1.00 31.52 A ATOM 1486 CG GLU 87 -2.562 5.827 -18.167 1.00 2.34 A ATOM 1487 HG1 GLU 87 -2.622 4.870 -18.675 1.00 51.34 A ATOM 1488 HG2 GLU 87 -2.280 5.652 -17.131 1.00 20.32 A ATOM 1489 CD GLU 87 -1.486 6.684 -18.849 1.00 72.22 A ATOM 1490 OE1 GLU 87 -0.828 7.497 -18.165 1.00 34.33 A ATOM 1491 OE2 GLU 87 -1.318 6.572 -20.085 1.00 21.13 A ATOM 1492 C GLU 87 -6.376 6.521 -17.492 1.00 34.52 A ATOM 1493 O GLU 87 -6.538 7.326 -16.581 1.00 52.20 A ATOM 1494 N ASN 88 -7.272 6.311 -18.474 1.00 34.21 A ATOM 1495 HN ASN 88 -7.035 5.677 -19.184 1.00 63.34 A ATOM 1496 CA ASN 88 -8.585 6.997 -18.554 1.00 14.24 A ATOM 1497 HA ASN 88 -8.406 8.069 -18.537 1.00 52.20 A ATOM 1498 CB ASN 88 -9.281 6.615 -19.897 1.00 11.42 A ATOM 1499 HB1 ASN 88 -9.544 5.561 -19.869 1.00 34.23 A ATOM 1500 HB2 ASN 88 -8.572 6.763 -20.703 1.00 23.00 A ATOM 1501 CG ASN 88 -10.556 7.415 -20.233 1.00 0.04 A ATOM 1502 OD1 ASN 88 -11.280 7.891 -19.359 1.00 73.25 A ATOM 1503 ND2 ASN 88 -10.858 7.549 -21.520 1.00 63.03 A ATOM 1504 HD21 ASN 88 -10.261 7.139 -22.183 1.00 35.50 A ATOM 1505 HD22 ASN 88 -11.667 8.051 -21.755 1.00 52.30 A ATOM 1506 C ASN 88 -9.467 6.609 -17.345 1.00 1.22 A ATOM 1507 O ASN 88 -9.913 7.476 -16.582 1.00 42.34 A ATOM 1508 N GLU 89 -9.659 5.292 -17.163 1.00 12.13 A ATOM 1509 HN GLU 89 -9.180 4.667 -17.748 1.00 45.31 A ATOM 1510 CA GLU 89 -10.515 4.741 -16.093 1.00 60.43 A ATOM 1511 HA GLU 89 -11.460 5.274 -16.103 1.00 74.53 A ATOM 1512 CB GLU 89 -10.778 3.235 -16.342 1.00 15.45 A ATOM 1513 HB1 GLU 89 -11.444 2.866 -15.567 1.00 41.12 A ATOM 1514 HB2 GLU 89 -9.835 2.702 -16.263 1.00 34.11 A ATOM 1515 CG GLU 89 -11.403 2.900 -17.712 1.00 63.23 A ATOM 1516 HG1 GLU 89 -10.735 3.238 -18.496 1.00 72.20 A ATOM 1517 HG2 GLU 89 -12.343 3.435 -17.809 1.00 33.14 A ATOM 1518 CD GLU 89 -11.659 1.390 -17.900 1.00 14.32 A ATOM 1519 OE1 GLU 89 -10.727 0.660 -18.301 1.00 45.53 A ATOM 1520 OE2 GLU 89 -12.787 0.921 -17.634 1.00 71.24 A ATOM 1521 C GLU 89 -9.839 4.940 -14.725 1.00 35.31 A ATOM 1522 O GLU 89 -10.491 5.305 -13.735 1.00 35.33 A ATOM 1523 N LEU 90 -8.515 4.703 -14.713 1.00 70.23 A ATOM 1524 HN LEU 90 -8.101 4.403 -15.544 1.00 64.02 A ATOM 1525 CA LEU 90 -7.646 4.870 -13.541 1.00 5.35 A ATOM 1526 HA LEU 90 -7.984 4.180 -12.774 1.00 54.05 A ATOM 1527 CB LEU 90 -6.186 4.506 -13.938 1.00 42.44 A ATOM 1528 HB1 LEU 90 -5.915 5.119 -14.796 1.00 5.33 A ATOM 1529 HB2 LEU 90 -6.179 3.470 -14.263 1.00 54.33 A ATOM 1530 CG LEU 90 -5.074 4.683 -12.857 1.00 62.32 A ATOM 1531 HG LEU 90 -4.986 5.736 -12.628 1.00 62.43 A ATOM 1532 CD1 LEU 90 -5.434 3.981 -11.542 1.00 54.41 A ATOM 1533 HD11 LEU 90 -5.582 2.921 -11.709 1.00 23.12 A ATOM 1534 HD12 LEU 90 -6.345 4.413 -11.144 1.00 72.44 A ATOM 1535 HD13 LEU 90 -4.638 4.125 -10.825 1.00 71.13 A ATOM 1536 CD2 LEU 90 -3.693 4.214 -13.387 1.00 53.43 A ATOM 1537 HD21 LEU 90 -3.435 4.783 -14.270 1.00 71.32 A ATOM 1538 HD22 LEU 90 -3.727 3.161 -13.637 1.00 34.12 A ATOM 1539 HD23 LEU 90 -2.938 4.377 -12.627 1.00 50.12 A ATOM 1540 C LEU 90 -7.724 6.305 -12.998 1.00 21.04 A ATOM 1541 O LEU 90 -7.783 6.506 -11.785 1.00 52.40 A ATOM 1542 N GLU 91 -7.749 7.290 -13.921 1.00 65.51 A ATOM 1543 HN GLU 91 -7.730 7.049 -14.872 1.00 50.24 A ATOM 1544 CA GLU 91 -7.810 8.715 -13.569 1.00 73.13 A ATOM 1545 HA GLU 91 -6.964 8.927 -12.922 1.00 50.54 A ATOM 1546 CB GLU 91 -7.703 9.593 -14.840 1.00 11.32 A ATOM 1547 HB1 GLU 91 -8.542 9.362 -15.496 1.00 13.21 A ATOM 1548 HB2 GLU 91 -6.785 9.336 -15.358 1.00 14.04 A ATOM 1549 CG GLU 91 -7.697 11.110 -14.580 1.00 32.13 A ATOM 1550 HG1 GLU 91 -8.640 11.380 -14.118 1.00 65.31 A ATOM 1551 HG2 GLU 91 -7.621 11.625 -15.533 1.00 0.22 A ATOM 1552 CD GLU 91 -6.542 11.577 -13.674 1.00 75.44 A ATOM 1553 OE1 GLU 91 -5.405 11.695 -14.165 1.00 14.20 A ATOM 1554 OE2 GLU 91 -6.769 11.841 -12.470 1.00 43.43 A ATOM 1555 C GLU 91 -9.105 9.041 -12.817 1.00 54.54 A ATOM 1556 O GLU 91 -9.067 9.667 -11.750 1.00 64.40 A ATOM 1557 N GLU 92 -10.238 8.587 -13.387 1.00 42.24 A ATOM 1558 HN GLU 92 -10.169 8.082 -14.230 1.00 75.51 A ATOM 1559 CA GLU 92 -11.572 8.821 -12.818 1.00 44.13 A ATOM 1560 HA GLU 92 -11.721 9.896 -12.781 1.00 34.22 A ATOM 1561 CB GLU 92 -12.658 8.204 -13.733 1.00 74.05 A ATOM 1562 HB1 GLU 92 -13.623 8.295 -13.246 1.00 71.33 A ATOM 1563 HB2 GLU 92 -12.442 7.150 -13.872 1.00 0.44 A ATOM 1564 CG GLU 92 -12.761 8.862 -15.120 1.00 71.05 A ATOM 1565 HG1 GLU 92 -13.578 8.402 -15.666 1.00 23.33 A ATOM 1566 HG2 GLU 92 -11.837 8.681 -15.660 1.00 52.01 A ATOM 1567 CD GLU 92 -13.016 10.380 -15.040 1.00 21.14 A ATOM 1568 OE1 GLU 92 -14.134 10.781 -14.660 1.00 63.43 A ATOM 1569 OE2 GLU 92 -12.101 11.176 -15.337 1.00 34.00 A ATOM 1570 C GLU 92 -11.683 8.262 -11.394 1.00 62.24 A ATOM 1571 O GLU 92 -11.978 9.006 -10.456 1.00 64.31 A ATOM 1572 N PHE 93 -11.374 6.966 -11.239 1.00 44.05 A ATOM 1573 HN PHE 93 -11.026 6.473 -12.008 1.00 3.45 A ATOM 1574 CA PHE 93 -11.521 6.258 -9.958 1.00 13.12 A ATOM 1575 HA PHE 93 -12.545 6.411 -9.625 1.00 30.33 A ATOM 1576 CB PHE 93 -11.290 4.732 -10.162 1.00 64.31 A ATOM 1577 HB1 PHE 93 -10.232 4.551 -10.323 1.00 14.41 A ATOM 1578 HB2 PHE 93 -11.828 4.412 -11.046 1.00 4.33 A ATOM 1579 CG PHE 93 -11.765 3.847 -9.002 1.00 51.03 A ATOM 1580 CD1 PHE 93 -13.089 3.912 -8.556 1.00 41.40 A ATOM 1581 HD1 PHE 93 -13.775 4.602 -9.028 1.00 62.41 A ATOM 1582 CD2 PHE 93 -10.906 2.943 -8.370 1.00 15.05 A ATOM 1583 HD2 PHE 93 -9.874 2.872 -8.695 1.00 44.00 A ATOM 1584 CE1 PHE 93 -13.530 3.109 -7.521 1.00 11.43 A ATOM 1585 HE1 PHE 93 -14.556 3.173 -7.186 1.00 73.12 A ATOM 1586 CE2 PHE 93 -11.350 2.143 -7.334 1.00 45.12 A ATOM 1587 HE2 PHE 93 -10.668 1.451 -6.849 1.00 73.22 A ATOM 1588 CZ PHE 93 -12.662 2.227 -6.911 1.00 63.34 A ATOM 1589 HZ PHE 93 -13.010 1.597 -6.101 1.00 4.34 A ATOM 1590 C PHE 93 -10.562 6.848 -8.892 1.00 73.04 A ATOM 1591 O PHE 93 -10.920 6.933 -7.720 1.00 72.11 A ATOM 1592 N LYS 94 -9.363 7.303 -9.337 1.00 52.01 A ATOM 1593 HN LYS 94 -9.154 7.212 -10.290 1.00 64.33 A ATOM 1594 CA LYS 94 -8.339 7.910 -8.450 1.00 62.34 A ATOM 1595 HA LYS 94 -8.131 7.192 -7.661 1.00 52.13 A ATOM 1596 CB LYS 94 -7.010 8.164 -9.246 1.00 12.35 A ATOM 1597 HB1 LYS 94 -7.192 8.927 -9.994 1.00 3.00 A ATOM 1598 HB2 LYS 94 -6.759 7.245 -9.769 1.00 64.33 A ATOM 1599 CG LYS 94 -5.754 8.583 -8.411 1.00 10.05 A ATOM 1600 HG1 LYS 94 -4.864 8.285 -8.956 1.00 61.34 A ATOM 1601 HG2 LYS 94 -5.769 8.042 -7.481 1.00 15.03 A ATOM 1602 CD LYS 94 -5.638 10.097 -8.085 1.00 1.31 A ATOM 1603 HD1 LYS 94 -4.778 10.247 -7.434 1.00 10.23 A ATOM 1604 HD2 LYS 94 -6.529 10.411 -7.554 1.00 24.10 A ATOM 1605 CE LYS 94 -5.466 10.975 -9.339 1.00 41.30 A ATOM 1606 HE1 LYS 94 -6.384 10.954 -9.914 1.00 62.55 A ATOM 1607 HE2 LYS 94 -4.659 10.579 -9.944 1.00 32.32 A ATOM 1608 NZ LYS 94 -5.152 12.389 -8.987 1.00 63.42 A ATOM 1609 HZ1 LYS 94 -5.040 12.963 -9.849 1.00 3.02 A ATOM 1610 HZ2 LYS 94 -4.268 12.432 -8.443 1.00 11.52 A ATOM 1611 HZ3 LYS 94 -5.916 12.794 -8.410 1.00 4.13 A ATOM 1612 C LYS 94 -8.857 9.213 -7.814 1.00 45.43 A ATOM 1613 O LYS 94 -8.929 9.322 -6.584 1.00 35.34 A ATOM 1614 N ARG 95 -9.232 10.185 -8.676 1.00 40.50 A ATOM 1615 HN ARG 95 -9.277 9.964 -9.633 1.00 11.13 A ATOM 1616 CA ARG 95 -9.575 11.563 -8.249 1.00 52.13 A ATOM 1617 HA ARG 95 -8.751 11.916 -7.635 1.00 54.15 A ATOM 1618 CB ARG 95 -9.697 12.507 -9.478 1.00 32.34 A ATOM 1619 HB1 ARG 95 -8.735 12.540 -9.975 1.00 71.43 A ATOM 1620 HB2 ARG 95 -9.932 13.507 -9.127 1.00 13.41 A ATOM 1621 CG ARG 95 -10.758 12.098 -10.523 1.00 1.21 A ATOM 1622 HG1 ARG 95 -11.730 12.062 -10.041 1.00 45.02 A ATOM 1623 HG2 ARG 95 -10.516 11.109 -10.897 1.00 53.01 A ATOM 1624 CD ARG 95 -10.824 13.077 -11.711 1.00 34.51 A ATOM 1625 HD1 ARG 95 -11.237 14.017 -11.363 1.00 74.53 A ATOM 1626 HD2 ARG 95 -11.481 12.662 -12.469 1.00 23.53 A ATOM 1627 NE ARG 95 -9.500 13.320 -12.316 1.00 51.23 A ATOM 1628 HE ARG 95 -8.855 12.575 -12.284 1.00 15.40 A ATOM 1629 CZ ARG 95 -9.116 14.466 -12.912 1.00 73.25 A ATOM 1630 NH1 ARG 95 -9.950 15.507 -13.017 1.00 13.33 A ATOM 1631 HH11 ARG 95 -10.883 15.448 -12.650 1.00 33.33 A ATOM 1632 HH12 ARG 95 -9.649 16.353 -13.464 1.00 11.44 A ATOM 1633 NH2 ARG 95 -7.877 14.570 -13.375 1.00 73.45 A ATOM 1634 HH21 ARG 95 -7.239 13.803 -13.275 1.00 4.20 A ATOM 1635 HH22 ARG 95 -7.570 15.416 -13.818 1.00 11.44 A ATOM 1636 C ARG 95 -10.851 11.610 -7.386 1.00 54.32 A ATOM 1637 O ARG 95 -10.959 12.453 -6.489 1.00 70.01 A ATOM 1638 N LYS 96 -11.792 10.684 -7.647 1.00 42.50 A ATOM 1639 HN LYS 96 -11.641 10.063 -8.391 1.00 12.33 A ATOM 1640 CA LYS 96 -13.048 10.564 -6.870 1.00 63.20 A ATOM 1641 HA LYS 96 -13.536 11.536 -6.884 1.00 54.12 A ATOM 1642 CB LYS 96 -13.992 9.523 -7.540 1.00 73.51 A ATOM 1643 HB1 LYS 96 -14.852 9.361 -6.896 1.00 21.44 A ATOM 1644 HB2 LYS 96 -13.458 8.583 -7.642 1.00 13.21 A ATOM 1645 CG LYS 96 -14.511 9.951 -8.938 1.00 4.22 A ATOM 1646 HG1 LYS 96 -13.666 10.257 -9.545 1.00 31.50 A ATOM 1647 HG2 LYS 96 -15.177 10.797 -8.811 1.00 44.32 A ATOM 1648 CD LYS 96 -15.279 8.827 -9.677 1.00 72.45 A ATOM 1649 HD1 LYS 96 -16.144 8.542 -9.088 1.00 71.44 A ATOM 1650 HD2 LYS 96 -14.628 7.966 -9.786 1.00 42.44 A ATOM 1651 CE LYS 96 -15.754 9.257 -11.076 1.00 42.30 A ATOM 1652 HE1 LYS 96 -14.890 9.515 -11.678 1.00 2.25 A ATOM 1653 HE2 LYS 96 -16.396 10.126 -10.983 1.00 72.31 A ATOM 1654 NZ LYS 96 -16.511 8.174 -11.764 1.00 32.21 A ATOM 1655 HZ1 LYS 96 -17.326 7.884 -11.185 1.00 35.34 A ATOM 1656 HZ2 LYS 96 -15.901 7.346 -11.912 1.00 33.52 A ATOM 1657 HZ3 LYS 96 -16.859 8.504 -12.687 1.00 23.12 A ATOM 1658 C LYS 96 -12.762 10.178 -5.399 1.00 23.33 A ATOM 1659 O LYS 96 -13.381 10.713 -4.471 1.00 22.50 A ATOM 1660 N ILE 97 -11.799 9.262 -5.207 1.00 23.52 A ATOM 1661 HN ILE 97 -11.339 8.900 -5.992 1.00 50.13 A ATOM 1662 CA ILE 97 -11.392 8.766 -3.870 1.00 23.54 A ATOM 1663 HA ILE 97 -12.282 8.693 -3.248 1.00 11.45 A ATOM 1664 CB ILE 97 -10.755 7.339 -3.990 1.00 24.42 A ATOM 1665 HB ILE 97 -9.853 7.427 -4.591 1.00 65.52 A ATOM 1666 CG1 ILE 97 -11.740 6.367 -4.708 1.00 53.23 A ATOM 1667 HG11 ILE 97 -12.117 6.839 -5.607 1.00 33.31 A ATOM 1668 HG12 ILE 97 -12.574 6.145 -4.056 1.00 21.02 A ATOM 1669 CG2 ILE 97 -10.346 6.784 -2.603 1.00 14.54 A ATOM 1670 HG21 ILE 97 -11.216 6.719 -1.963 1.00 71.24 A ATOM 1671 HG22 ILE 97 -9.615 7.442 -2.146 1.00 32.40 A ATOM 1672 HG23 ILE 97 -9.913 5.800 -2.715 1.00 3.54 A ATOM 1673 CD1 ILE 97 -11.123 5.047 -5.121 1.00 20.03 A ATOM 1674 HD11 ILE 97 -10.733 4.532 -4.254 1.00 4.42 A ATOM 1675 HD12 ILE 97 -10.322 5.225 -5.826 1.00 52.23 A ATOM 1676 HD13 ILE 97 -11.878 4.434 -5.590 1.00 23.15 A ATOM 1677 C ILE 97 -10.395 9.738 -3.205 1.00 55.53 A ATOM 1678 O ILE 97 -10.313 9.834 -1.971 1.00 14.01 A ATOM 1679 N GLU 98 -9.648 10.469 -4.040 1.00 54.21 A ATOM 1680 HN GLU 98 -9.728 10.306 -5.002 1.00 22.30 A ATOM 1681 CA GLU 98 -8.727 11.519 -3.584 1.00 3.34 A ATOM 1682 HA GLU 98 -8.128 11.107 -2.772 1.00 42.45 A ATOM 1683 CB GLU 98 -7.788 11.925 -4.744 1.00 53.41 A ATOM 1684 HB1 GLU 98 -8.394 12.244 -5.590 1.00 10.55 A ATOM 1685 HB2 GLU 98 -7.217 11.053 -5.043 1.00 63.34 A ATOM 1686 CG GLU 98 -6.800 13.053 -4.401 1.00 72.04 A ATOM 1687 HG1 GLU 98 -6.252 12.774 -3.507 1.00 54.44 A ATOM 1688 HG2 GLU 98 -7.367 13.953 -4.187 1.00 63.03 A ATOM 1689 CD GLU 98 -5.805 13.364 -5.528 1.00 20.50 A ATOM 1690 OE1 GLU 98 -6.247 13.653 -6.655 1.00 11.50 A ATOM 1691 OE2 GLU 98 -4.583 13.344 -5.288 1.00 34.11 A ATOM 1692 C GLU 98 -9.533 12.724 -3.041 1.00 72.31 A ATOM 1693 O GLU 98 -9.077 13.435 -2.136 1.00 52.51 A ATOM 1694 N SER 99 -10.768 12.889 -3.569 1.00 5.10 A ATOM 1695 HN SER 99 -11.055 12.284 -4.288 1.00 11.14 A ATOM 1696 CA SER 99 -11.723 13.916 -3.112 1.00 23.14 A ATOM 1697 HA SER 99 -11.169 14.843 -2.959 1.00 41.31 A ATOM 1698 CB SER 99 -12.800 14.155 -4.194 1.00 15.43 A ATOM 1699 HB1 SER 99 -13.414 13.269 -4.299 1.00 72.35 A ATOM 1700 HB2 SER 99 -12.321 14.364 -5.140 1.00 24.43 A ATOM 1701 OG SER 99 -13.640 15.257 -3.875 1.00 1.30 A ATOM 1702 HG SER 99 -14.509 15.118 -4.270 1.00 54.33 A ATOM 1703 C SER 99 -12.377 13.503 -1.772 1.00 41.22 A ATOM 1704 O SER 99 -12.958 14.339 -1.082 1.00 64.30 A ATOM 1705 N GLN 100 -12.264 12.198 -1.410 1.00 0.11 A ATOM 1706 HN GLN 100 -11.892 11.562 -2.057 1.00 23.41 A ATOM 1707 CA GLN 100 -12.690 11.688 -0.083 1.00 33.34 A ATOM 1708 HA GLN 100 -13.629 12.172 0.176 1.00 33.33 A ATOM 1709 CB GLN 100 -12.919 10.143 -0.109 1.00 4.53 A ATOM 1710 HB1 GLN 100 -13.328 9.844 0.850 1.00 24.31 A ATOM 1711 HB2 GLN 100 -11.957 9.655 -0.226 1.00 52.30 A ATOM 1712 CG GLN 100 -13.861 9.589 -1.208 1.00 42.22 A ATOM 1713 HG1 GLN 100 -13.872 8.505 -1.126 1.00 73.35 A ATOM 1714 HG2 GLN 100 -13.451 9.853 -2.175 1.00 24.21 A ATOM 1715 CD GLN 100 -15.315 10.097 -1.163 1.00 14.34 A ATOM 1716 OE1 GLN 100 -15.593 11.251 -0.843 1.00 2.23 A ATOM 1717 NE2 GLN 100 -16.266 9.219 -1.457 1.00 41.14 A ATOM 1718 HE21 GLN 100 -16.000 8.300 -1.677 1.00 22.45 A ATOM 1719 HE22 GLN 100 -17.195 9.527 -1.449 1.00 72.45 A ATOM 1720 C GLN 100 -11.644 12.039 1.004 1.00 43.25 A ATOM 1721 O GLN 100 -11.877 11.785 2.193 1.00 63.44 A ATOM 1722 N GLY 101 -10.493 12.608 0.574 1.00 12.44 A ATOM 1723 HN GLY 101 -10.369 12.736 -0.391 1.00 32.22 A ATOM 1724 CA GLY 101 -9.424 13.035 1.477 1.00 62.12 A ATOM 1725 HA1 GLY 101 -9.849 13.381 2.413 1.00 24.40 A ATOM 1726 HA2 GLY 101 -8.895 13.859 1.015 1.00 74.45 A ATOM 1727 C GLY 101 -8.429 11.922 1.755 1.00 11.12 A ATOM 1728 O GLY 101 -8.105 11.639 2.914 1.00 20.15 A ATOM 1729 N TYR 102 -7.945 11.285 0.674 1.00 11.34 A ATOM 1730 HN TYR 102 -8.262 11.568 -0.211 1.00 55.43 A ATOM 1731 CA TYR 102 -6.941 10.202 0.748 1.00 25.34 A ATOM 1732 HA TYR 102 -6.522 10.196 1.752 1.00 20.42 A ATOM 1733 CB TYR 102 -7.585 8.809 0.462 1.00 71.25 A ATOM 1734 HB1 TYR 102 -6.807 8.050 0.432 1.00 72.30 A ATOM 1735 HB2 TYR 102 -8.080 8.838 -0.503 1.00 40.13 A ATOM 1736 CG TYR 102 -8.611 8.378 1.515 1.00 13.01 A ATOM 1737 CD1 TYR 102 -8.259 8.336 2.864 1.00 52.13 A ATOM 1738 HD1 TYR 102 -7.248 8.599 3.152 1.00 75.25 A ATOM 1739 CD2 TYR 102 -9.922 8.030 1.176 1.00 43.41 A ATOM 1740 HD2 TYR 102 -10.221 8.043 0.132 1.00 53.21 A ATOM 1741 CE1 TYR 102 -9.166 7.973 3.835 1.00 31.14 A ATOM 1742 HE1 TYR 102 -8.864 7.949 4.875 1.00 43.25 A ATOM 1743 CE2 TYR 102 -10.834 7.660 2.151 1.00 22.33 A ATOM 1744 HE2 TYR 102 -11.846 7.394 1.871 1.00 72.43 A ATOM 1745 CZ TYR 102 -10.447 7.638 3.478 1.00 1.00 A ATOM 1746 OH TYR 102 -11.348 7.291 4.454 1.00 23.22 A ATOM 1747 HH TYR 102 -11.779 6.472 4.209 1.00 14.51 A ATOM 1748 C TYR 102 -5.808 10.465 -0.244 1.00 72.41 A ATOM 1749 O TYR 102 -6.044 11.002 -1.337 1.00 12.21 A ATOM 1750 N GLU 103 -4.572 10.091 0.153 1.00 2.30 A ATOM 1751 HN GLU 103 -4.445 9.779 1.078 1.00 72.51 A ATOM 1752 CA GLU 103 -3.410 10.131 -0.741 1.00 22.51 A ATOM 1753 HA GLU 103 -3.477 11.040 -1.335 1.00 24.51 A ATOM 1754 CB GLU 103 -2.078 10.169 0.071 1.00 20.50 A ATOM 1755 HB1 GLU 103 -2.048 9.306 0.729 1.00 30.24 A ATOM 1756 HB2 GLU 103 -2.076 11.064 0.688 1.00 10.42 A ATOM 1757 CG GLU 103 -0.777 10.176 -0.781 1.00 33.53 A ATOM 1758 HG1 GLU 103 -0.678 9.212 -1.270 1.00 61.44 A ATOM 1759 HG2 GLU 103 0.071 10.313 -0.116 1.00 70.44 A ATOM 1760 CD GLU 103 -0.739 11.290 -1.839 1.00 44.25 A ATOM 1761 OE1 GLU 103 -0.609 10.996 -3.054 1.00 4.33 A ATOM 1762 OE2 GLU 103 -0.838 12.478 -1.455 1.00 42.24 A ATOM 1763 C GLU 103 -3.482 8.923 -1.674 1.00 72.12 A ATOM 1764 O GLU 103 -3.007 7.838 -1.344 1.00 2.01 A ATOM 1765 N VAL 104 -4.123 9.125 -2.830 1.00 24.42 A ATOM 1766 HN VAL 104 -4.443 10.028 -3.042 1.00 20.11 A ATOM 1767 CA VAL 104 -4.351 8.073 -3.822 1.00 51.43 A ATOM 1768 HA VAL 104 -4.157 7.101 -3.360 1.00 34.42 A ATOM 1769 CB VAL 104 -5.833 8.095 -4.355 1.00 24.13 A ATOM 1770 HB VAL 104 -5.968 9.002 -4.947 1.00 25.04 A ATOM 1771 CG1 VAL 104 -6.110 6.892 -5.283 1.00 15.21 A ATOM 1772 HG11 VAL 104 -6.017 5.970 -4.727 1.00 35.35 A ATOM 1773 HG12 VAL 104 -5.393 6.886 -6.097 1.00 52.40 A ATOM 1774 HG13 VAL 104 -7.108 6.966 -5.694 1.00 23.30 A ATOM 1775 CG2 VAL 104 -6.849 8.146 -3.190 1.00 41.23 A ATOM 1776 HG21 VAL 104 -6.767 7.249 -2.590 1.00 21.13 A ATOM 1777 HG22 VAL 104 -7.857 8.222 -3.581 1.00 23.14 A ATOM 1778 HG23 VAL 104 -6.648 9.010 -2.568 1.00 0.01 A ATOM 1779 C VAL 104 -3.375 8.292 -4.979 1.00 22.43 A ATOM 1780 O VAL 104 -3.232 9.425 -5.448 1.00 41.44 A ATOM 1781 N ARG 105 -2.706 7.227 -5.432 1.00 31.13 A ATOM 1782 HN ARG 105 -2.881 6.350 -5.021 1.00 1.33 A ATOM 1783 CA ARG 105 -1.699 7.329 -6.502 1.00 55.22 A ATOM 1784 HA ARG 105 -1.678 8.363 -6.852 1.00 73.44 A ATOM 1785 CB ARG 105 -0.285 6.955 -5.947 1.00 14.04 A ATOM 1786 HB1 ARG 105 -0.084 5.904 -6.147 1.00 10.44 A ATOM 1787 HB2 ARG 105 -0.289 7.091 -4.872 1.00 4.23 A ATOM 1788 CG ARG 105 0.891 7.788 -6.513 1.00 31.22 A ATOM 1789 HG1 ARG 105 0.868 7.749 -7.597 1.00 62.20 A ATOM 1790 HG2 ARG 105 1.825 7.363 -6.161 1.00 1.44 A ATOM 1791 CD ARG 105 0.821 9.263 -6.058 1.00 61.14 A ATOM 1792 HD1 ARG 105 0.754 9.296 -4.974 1.00 63.51 A ATOM 1793 HD2 ARG 105 -0.067 9.719 -6.484 1.00 71.33 A ATOM 1794 NE ARG 105 1.992 10.043 -6.487 1.00 41.34 A ATOM 1795 HE ARG 105 2.534 9.661 -7.219 1.00 42.43 A ATOM 1796 CZ ARG 105 2.370 11.221 -5.956 1.00 64.12 A ATOM 1797 NH1 ARG 105 1.683 11.784 -4.953 1.00 0.32 A ATOM 1798 HH11 ARG 105 0.864 11.329 -4.579 1.00 2.35 A ATOM 1799 HH12 ARG 105 1.979 12.664 -4.569 1.00 14.12 A ATOM 1800 NH2 ARG 105 3.433 11.841 -6.451 1.00 61.02 A ATOM 1801 HH21 ARG 105 3.945 11.429 -7.211 1.00 12.13 A ATOM 1802 HH22 ARG 105 3.730 12.719 -6.069 1.00 54.22 A ATOM 1803 C ARG 105 -2.088 6.428 -7.684 1.00 75.52 A ATOM 1804 O ARG 105 -2.675 5.352 -7.495 1.00 11.12 A ATOM 1805 N LYS 106 -1.747 6.890 -8.889 1.00 31.14 A ATOM 1806 HN LYS 106 -1.376 7.794 -8.951 1.00 41.24 A ATOM 1807 CA LYS 106 -1.897 6.135 -10.133 1.00 74.12 A ATOM 1808 HA LYS 106 -2.673 5.386 -10.013 1.00 24.32 A ATOM 1809 CB LYS 106 -2.265 7.088 -11.305 1.00 14.24 A ATOM 1810 HB1 LYS 106 -2.297 6.512 -12.223 1.00 22.01 A ATOM 1811 HB2 LYS 106 -1.484 7.840 -11.400 1.00 31.03 A ATOM 1812 CG LYS 106 -3.613 7.826 -11.159 1.00 12.34 A ATOM 1813 HG1 LYS 106 -3.608 8.379 -10.223 1.00 42.41 A ATOM 1814 HG2 LYS 106 -4.418 7.095 -11.127 1.00 15.23 A ATOM 1815 CD LYS 106 -3.876 8.818 -12.320 1.00 44.20 A ATOM 1816 HD1 LYS 106 -3.067 9.539 -12.351 1.00 61.15 A ATOM 1817 HD2 LYS 106 -4.806 9.344 -12.131 1.00 41.45 A ATOM 1818 CE LYS 106 -3.980 8.135 -13.691 1.00 23.40 A ATOM 1819 HE1 LYS 106 -4.873 7.523 -13.714 1.00 50.41 A ATOM 1820 HE2 LYS 106 -3.112 7.503 -13.840 1.00 22.30 A ATOM 1821 NZ LYS 106 -4.049 9.127 -14.800 1.00 63.54 A ATOM 1822 HZ1 LYS 106 -3.196 9.723 -14.804 1.00 4.42 A ATOM 1823 HZ2 LYS 106 -4.879 9.743 -14.686 1.00 3.23 A ATOM 1824 HZ3 LYS 106 -4.119 8.641 -15.716 1.00 12.23 A ATOM 1825 C LYS 106 -0.564 5.466 -10.447 1.00 33.13 A ATOM 1826 O LYS 106 0.492 6.090 -10.279 1.00 42.43 A ATOM 1827 N VAL 107 -0.611 4.214 -10.893 1.00 24.31 A ATOM 1828 HN VAL 107 -1.475 3.749 -10.924 1.00 52.35 A ATOM 1829 CA VAL 107 0.587 3.495 -11.315 1.00 4.23 A ATOM 1830 HA VAL 107 1.312 4.237 -11.661 1.00 53.53 A ATOM 1831 CB VAL 107 1.245 2.716 -10.116 1.00 43.34 A ATOM 1832 HB VAL 107 1.504 3.450 -9.357 1.00 71.13 A ATOM 1833 CG1 VAL 107 0.286 1.707 -9.459 1.00 10.11 A ATOM 1834 HG11 VAL 107 -0.003 0.955 -10.177 1.00 10.34 A ATOM 1835 HG12 VAL 107 -0.599 2.222 -9.104 1.00 43.23 A ATOM 1836 HG13 VAL 107 0.775 1.229 -8.616 1.00 10.25 A ATOM 1837 CG2 VAL 107 2.544 2.038 -10.554 1.00 22.23 A ATOM 1838 HG21 VAL 107 3.011 1.557 -9.708 1.00 24.02 A ATOM 1839 HG22 VAL 107 3.223 2.777 -10.959 1.00 51.35 A ATOM 1840 HG23 VAL 107 2.332 1.297 -11.316 1.00 55.30 A ATOM 1841 C VAL 107 0.271 2.557 -12.490 1.00 53.12 A ATOM 1842 O VAL 107 -0.786 1.920 -12.528 1.00 12.23 A ATOM 1843 N THR 108 1.182 2.538 -13.467 1.00 31.11 A ATOM 1844 HN THR 108 1.933 3.169 -13.409 1.00 43.23 A ATOM 1845 CA THR 108 1.115 1.653 -14.630 1.00 51.23 A ATOM 1846 HA THR 108 0.113 1.228 -14.692 1.00 23.44 A ATOM 1847 CB THR 108 1.388 2.466 -15.945 1.00 62.02 A ATOM 1848 HB THR 108 1.490 1.771 -16.771 1.00 42.24 A ATOM 1849 OG1 THR 108 2.617 3.205 -15.817 1.00 73.13 A ATOM 1850 HG1 THR 108 3.132 3.117 -16.625 1.00 44.21 A ATOM 1851 CG2 THR 108 0.243 3.452 -16.272 1.00 45.34 A ATOM 1852 HG21 THR 108 -0.689 2.913 -16.394 1.00 60.13 A ATOM 1853 HG22 THR 108 0.469 3.981 -17.189 1.00 32.54 A ATOM 1854 HG23 THR 108 0.138 4.171 -15.468 1.00 34.20 A ATOM 1855 C THR 108 2.137 0.507 -14.465 1.00 4.04 A ATOM 1856 O THR 108 1.776 -0.672 -14.497 1.00 42.34 A ATOM 1857 N ASP 109 3.407 0.875 -14.203 1.00 62.11 A ATOM 1858 HN ASP 109 3.595 1.816 -14.001 1.00 12.34 A ATOM 1859 CA ASP 109 4.530 -0.086 -14.133 1.00 44.30 A ATOM 1860 HA ASP 109 4.431 -0.781 -14.963 1.00 52.50 A ATOM 1861 CB ASP 109 5.887 0.659 -14.261 1.00 23.43 A ATOM 1862 HB1 ASP 109 6.700 -0.049 -14.125 1.00 15.22 A ATOM 1863 HB2 ASP 109 5.956 1.405 -13.481 1.00 64.12 A ATOM 1864 CG ASP 109 6.070 1.359 -15.617 1.00 40.40 A ATOM 1865 OD1 ASP 109 5.627 2.520 -15.763 1.00 54.14 A ATOM 1866 OD2 ASP 109 6.650 0.751 -16.545 1.00 3.43 A ATOM 1867 C ASP 109 4.479 -0.878 -12.814 1.00 3.41 A ATOM 1868 O ASP 109 4.207 -0.318 -11.752 1.00 35.23 A ATOM 1869 N ASP 110 4.775 -2.179 -12.897 1.00 74.41 A ATOM 1870 HN ASP 110 5.054 -2.535 -13.769 1.00 33.13 A ATOM 1871 CA ASP 110 4.696 -3.112 -11.749 1.00 14.10 A ATOM 1872 HA ASP 110 3.744 -2.950 -11.248 1.00 12.04 A ATOM 1873 CB ASP 110 4.768 -4.582 -12.247 1.00 73.50 A ATOM 1874 HB1 ASP 110 4.447 -5.243 -11.448 1.00 71.41 A ATOM 1875 HB2 ASP 110 5.798 -4.825 -12.493 1.00 63.51 A ATOM 1876 CG ASP 110 3.897 -4.849 -13.489 1.00 45.21 A ATOM 1877 OD1 ASP 110 2.721 -5.247 -13.351 1.00 44.24 A ATOM 1878 OD2 ASP 110 4.391 -4.634 -14.617 1.00 74.02 A ATOM 1879 C ASP 110 5.838 -2.825 -10.754 1.00 35.54 A ATOM 1880 O ASP 110 5.663 -2.909 -9.534 1.00 53.52 A ATOM 1881 N GLU 111 7.004 -2.467 -11.311 1.00 12.25 A ATOM 1882 HN GLU 111 7.062 -2.449 -12.291 1.00 64.35 A ATOM 1883 CA GLU 111 8.195 -2.069 -10.530 1.00 43.11 A ATOM 1884 HA GLU 111 8.408 -2.865 -9.820 1.00 73.24 A ATOM 1885 CB GLU 111 9.406 -1.897 -11.483 1.00 74.31 A ATOM 1886 HB1 GLU 111 9.615 -2.854 -11.953 1.00 63.31 A ATOM 1887 HB2 GLU 111 10.275 -1.610 -10.898 1.00 14.41 A ATOM 1888 CG GLU 111 9.192 -0.846 -12.597 1.00 74.12 A ATOM 1889 HG1 GLU 111 8.927 0.100 -12.133 1.00 53.42 A ATOM 1890 HG2 GLU 111 8.360 -1.164 -13.218 1.00 51.30 A ATOM 1891 CD GLU 111 10.423 -0.628 -13.486 1.00 23.34 A ATOM 1892 OE1 GLU 111 10.470 -1.173 -14.610 1.00 0.31 A ATOM 1893 OE2 GLU 111 11.344 0.104 -13.069 1.00 53.44 A ATOM 1894 C GLU 111 7.928 -0.757 -9.757 1.00 45.02 A ATOM 1895 O GLU 111 8.403 -0.567 -8.629 1.00 64.24 A ATOM 1896 N GLU 112 7.141 0.120 -10.395 1.00 4.21 A ATOM 1897 HN GLU 112 6.791 -0.137 -11.271 1.00 1.24 A ATOM 1898 CA GLU 112 6.762 1.432 -9.871 1.00 72.15 A ATOM 1899 HA GLU 112 7.651 1.903 -9.459 1.00 4.13 A ATOM 1900 CB GLU 112 6.236 2.288 -11.045 1.00 54.30 A ATOM 1901 HB1 GLU 112 5.379 1.776 -11.482 1.00 40.11 A ATOM 1902 HB2 GLU 112 7.014 2.336 -11.797 1.00 51.52 A ATOM 1903 CG GLU 112 5.816 3.732 -10.718 1.00 33.40 A ATOM 1904 HG1 GLU 112 6.664 4.257 -10.296 1.00 23.51 A ATOM 1905 HG2 GLU 112 5.019 3.707 -9.982 1.00 24.55 A ATOM 1906 CD GLU 112 5.310 4.498 -11.960 1.00 23.40 A ATOM 1907 OE1 GLU 112 4.316 4.052 -12.580 1.00 32.30 A ATOM 1908 OE2 GLU 112 5.887 5.551 -12.314 1.00 54.31 A ATOM 1909 C GLU 112 5.724 1.267 -8.751 1.00 63.12 A ATOM 1910 O GLU 112 5.738 2.020 -7.782 1.00 21.24 A ATOM 1911 N ALA 113 4.857 0.238 -8.876 1.00 13.44 A ATOM 1912 HN ALA 113 4.891 -0.309 -9.689 1.00 52.11 A ATOM 1913 CA ALA 113 3.849 -0.083 -7.852 1.00 21.24 A ATOM 1914 HA ALA 113 3.206 0.789 -7.740 1.00 53.13 A ATOM 1915 CB ALA 113 2.972 -1.260 -8.307 1.00 22.13 A ATOM 1916 HB1 ALA 113 2.495 -1.012 -9.245 1.00 51.44 A ATOM 1917 HB2 ALA 113 2.212 -1.455 -7.561 1.00 54.15 A ATOM 1918 HB3 ALA 113 3.582 -2.145 -8.440 1.00 1.33 A ATOM 1919 C ALA 113 4.522 -0.383 -6.504 1.00 11.23 A ATOM 1920 O ALA 113 4.183 0.227 -5.490 1.00 45.13 A ATOM 1921 N LEU 114 5.538 -1.265 -6.548 1.00 74.43 A ATOM 1922 HN LEU 114 5.778 -1.641 -7.422 1.00 53.23 A ATOM 1923 CA LEU 114 6.315 -1.686 -5.365 1.00 13.14 A ATOM 1924 HA LEU 114 5.635 -2.192 -4.684 1.00 13.13 A ATOM 1925 CB LEU 114 7.431 -2.679 -5.798 1.00 22.34 A ATOM 1926 HB1 LEU 114 8.001 -2.958 -4.917 1.00 0.34 A ATOM 1927 HB2 LEU 114 8.098 -2.150 -6.472 1.00 11.54 A ATOM 1928 CG LEU 114 6.969 -3.992 -6.509 1.00 14.22 A ATOM 1929 HG LEU 114 6.374 -3.726 -7.377 1.00 1.15 A ATOM 1930 CD1 LEU 114 8.182 -4.798 -7.024 1.00 25.24 A ATOM 1931 HD11 LEU 114 8.803 -5.109 -6.191 1.00 54.33 A ATOM 1932 HD12 LEU 114 8.768 -4.183 -7.694 1.00 72.32 A ATOM 1933 HD13 LEU 114 7.840 -5.673 -7.560 1.00 21.31 A ATOM 1934 CD2 LEU 114 6.076 -4.852 -5.587 1.00 33.40 A ATOM 1935 HD21 LEU 114 5.203 -4.282 -5.299 1.00 11.34 A ATOM 1936 HD22 LEU 114 6.624 -5.138 -4.700 1.00 4.03 A ATOM 1937 HD23 LEU 114 5.759 -5.742 -6.115 1.00 50.31 A ATOM 1938 C LEU 114 6.950 -0.475 -4.644 1.00 3.13 A ATOM 1939 O LEU 114 6.865 -0.359 -3.413 1.00 2.21 A ATOM 1940 N LYS 115 7.545 0.444 -5.437 1.00 40.42 A ATOM 1941 HN LYS 115 7.439 0.365 -6.407 1.00 42.24 A ATOM 1942 CA LYS 115 8.336 1.569 -4.901 1.00 75.33 A ATOM 1943 HA LYS 115 8.942 1.171 -4.087 1.00 4.54 A ATOM 1944 CB LYS 115 9.304 2.148 -5.979 1.00 12.42 A ATOM 1945 HB1 LYS 115 9.781 1.318 -6.493 1.00 73.23 A ATOM 1946 HB2 LYS 115 10.079 2.719 -5.478 1.00 42.34 A ATOM 1947 CG LYS 115 8.656 3.060 -7.041 1.00 64.14 A ATOM 1948 HG1 LYS 115 8.236 3.927 -6.544 1.00 61.15 A ATOM 1949 HG2 LYS 115 7.855 2.514 -7.522 1.00 0.30 A ATOM 1950 CD LYS 115 9.647 3.540 -8.125 1.00 22.34 A ATOM 1951 HD1 LYS 115 9.104 4.140 -8.848 1.00 64.23 A ATOM 1952 HD2 LYS 115 10.063 2.678 -8.631 1.00 15.24 A ATOM 1953 CE LYS 115 10.804 4.385 -7.560 1.00 41.21 A ATOM 1954 HE1 LYS 115 11.330 3.811 -6.807 1.00 61.33 A ATOM 1955 HE2 LYS 115 10.401 5.284 -7.107 1.00 31.13 A ATOM 1956 NZ LYS 115 11.768 4.776 -8.628 1.00 13.21 A ATOM 1957 HZ1 LYS 115 12.137 3.928 -9.101 1.00 71.34 A ATOM 1958 HZ2 LYS 115 12.570 5.298 -8.222 1.00 73.02 A ATOM 1959 HZ3 LYS 115 11.300 5.377 -9.337 1.00 42.32 A ATOM 1960 C LYS 115 7.429 2.672 -4.311 1.00 72.34 A ATOM 1961 O LYS 115 7.840 3.367 -3.379 1.00 32.31 A ATOM 1962 N ILE 116 6.190 2.826 -4.845 1.00 71.21 A ATOM 1963 HN ILE 116 5.934 2.280 -5.620 1.00 4.14 A ATOM 1964 CA ILE 116 5.210 3.804 -4.307 1.00 2.44 A ATOM 1965 HA ILE 116 5.750 4.735 -4.134 1.00 33.00 A ATOM 1966 CB ILE 116 4.035 4.108 -5.321 1.00 71.42 A ATOM 1967 HB ILE 116 3.533 3.166 -5.530 1.00 23.44 A ATOM 1968 CG1 ILE 116 4.584 4.683 -6.668 1.00 45.11 A ATOM 1969 HG11 ILE 116 3.755 4.837 -7.350 1.00 11.21 A ATOM 1970 HG12 ILE 116 5.257 3.967 -7.106 1.00 51.31 A ATOM 1971 CG2 ILE 116 2.977 5.070 -4.722 1.00 65.52 A ATOM 1972 HG21 ILE 116 2.534 4.629 -3.838 1.00 31.54 A ATOM 1973 HG22 ILE 116 2.195 5.251 -5.451 1.00 34.11 A ATOM 1974 HG23 ILE 116 3.438 6.013 -4.458 1.00 12.31 A ATOM 1975 CD1 ILE 116 5.342 6.002 -6.566 1.00 1.04 A ATOM 1976 HD11 ILE 116 5.690 6.285 -7.548 1.00 31.31 A ATOM 1977 HD12 ILE 116 6.190 5.894 -5.905 1.00 60.11 A ATOM 1978 HD13 ILE 116 4.686 6.776 -6.187 1.00 45.31 A ATOM 1979 C ILE 116 4.654 3.319 -2.948 1.00 45.43 A ATOM 1980 O ILE 116 4.364 4.140 -2.069 1.00 50.15 A ATOM 1981 N VAL 117 4.542 1.981 -2.769 1.00 43.44 A ATOM 1982 HN VAL 117 4.710 1.385 -3.530 1.00 22.13 A ATOM 1983 CA VAL 117 4.170 1.383 -1.464 1.00 65.34 A ATOM 1984 HA VAL 117 3.218 1.819 -1.159 1.00 10.54 A ATOM 1985 CB VAL 117 4.006 -0.180 -1.545 1.00 13.43 A ATOM 1986 HB VAL 117 4.982 -0.599 -1.782 1.00 11.13 A ATOM 1987 CG1 VAL 117 3.554 -0.783 -0.195 1.00 34.12 A ATOM 1988 HG11 VAL 117 2.590 -0.377 0.089 1.00 5.31 A ATOM 1989 HG12 VAL 117 4.279 -0.546 0.574 1.00 23.44 A ATOM 1990 HG13 VAL 117 3.476 -1.860 -0.284 1.00 53.23 A ATOM 1991 CG2 VAL 117 3.042 -0.589 -2.669 1.00 60.23 A ATOM 1992 HG21 VAL 117 2.053 -0.195 -2.470 1.00 11.41 A ATOM 1993 HG22 VAL 117 2.987 -1.671 -2.727 1.00 22.03 A ATOM 1994 HG23 VAL 117 3.395 -0.205 -3.612 1.00 32.10 A ATOM 1995 C VAL 117 5.245 1.725 -0.408 1.00 3.22 A ATOM 1996 O VAL 117 4.919 2.038 0.743 1.00 44.14 A ATOM 1997 N ARG 118 6.529 1.687 -0.839 1.00 2.22 A ATOM 1998 HN ARG 118 6.699 1.419 -1.766 1.00 3.50 A ATOM 1999 CA ARG 118 7.685 2.032 0.015 1.00 22.13 A ATOM 2000 HA ARG 118 7.660 1.381 0.886 1.00 34.41 A ATOM 2001 CB ARG 118 9.023 1.808 -0.746 1.00 21.13 A ATOM 2002 HB1 ARG 118 9.846 2.037 -0.077 1.00 25.01 A ATOM 2003 HB2 ARG 118 9.061 2.500 -1.580 1.00 74.01 A ATOM 2004 CG ARG 118 9.243 0.383 -1.305 1.00 23.01 A ATOM 2005 HG1 ARG 118 10.203 0.353 -1.807 1.00 51.40 A ATOM 2006 HG2 ARG 118 8.467 0.171 -2.030 1.00 32.42 A ATOM 2007 CD ARG 118 9.220 -0.718 -0.229 1.00 31.14 A ATOM 2008 HD1 ARG 118 9.423 -1.670 -0.708 1.00 13.30 A ATOM 2009 HD2 ARG 118 8.236 -0.750 0.221 1.00 15.40 A ATOM 2010 NE ARG 118 10.225 -0.481 0.832 1.00 52.13 A ATOM 2011 HE ARG 118 10.353 0.453 1.111 1.00 42.44 A ATOM 2012 CZ ARG 118 10.967 -1.428 1.437 1.00 34.32 A ATOM 2013 NH1 ARG 118 10.850 -2.712 1.111 1.00 53.03 A ATOM 2014 HH11 ARG 118 10.200 -2.999 0.396 1.00 55.42 A ATOM 2015 HH12 ARG 118 11.415 -3.403 1.572 1.00 11.13 A ATOM 2016 NH2 ARG 118 11.853 -1.075 2.365 1.00 14.45 A ATOM 2017 HH21 ARG 118 11.963 -0.107 2.619 1.00 60.33 A ATOM 2018 HH22 ARG 118 12.408 -1.779 2.822 1.00 50.33 A ATOM 2019 C ARG 118 7.586 3.500 0.487 1.00 41.12 A ATOM 2020 O ARG 118 7.842 3.802 1.661 1.00 30.54 A ATOM 2021 N GLU 119 7.180 4.389 -0.448 1.00 51.11 A ATOM 2022 HN GLU 119 7.006 4.062 -1.358 1.00 73.05 A ATOM 2023 CA GLU 119 6.989 5.829 -0.181 1.00 22.21 A ATOM 2024 HA GLU 119 7.923 6.213 0.222 1.00 40.42 A ATOM 2025 CB GLU 119 6.661 6.591 -1.500 1.00 22.24 A ATOM 2026 HB1 GLU 119 6.502 7.637 -1.266 1.00 45.13 A ATOM 2027 HB2 GLU 119 5.742 6.190 -1.914 1.00 54.32 A ATOM 2028 CG GLU 119 7.752 6.507 -2.584 1.00 44.42 A ATOM 2029 HG1 GLU 119 7.431 7.081 -3.448 1.00 61.03 A ATOM 2030 HG2 GLU 119 7.861 5.469 -2.880 1.00 34.01 A ATOM 2031 CD GLU 119 9.114 7.045 -2.112 1.00 72.14 A ATOM 2032 OE1 GLU 119 10.029 6.240 -1.826 1.00 62.53 A ATOM 2033 OE2 GLU 119 9.264 8.281 -1.996 1.00 54.21 A ATOM 2034 C GLU 119 5.867 6.061 0.846 1.00 52.31 A ATOM 2035 O GLU 119 6.017 6.871 1.763 1.00 0.01 A ATOM 2036 N PHE 120 4.750 5.340 0.656 1.00 51.21 A ATOM 2037 HN PHE 120 4.700 4.771 -0.141 1.00 31.24 A ATOM 2038 CA PHE 120 3.566 5.399 1.535 1.00 62.34 A ATOM 2039 HA PHE 120 3.223 6.431 1.540 1.00 61.14 A ATOM 2040 CB PHE 120 2.439 4.499 0.954 1.00 44.01 A ATOM 2041 HB1 PHE 120 1.693 4.319 1.724 1.00 73.00 A ATOM 2042 HB2 PHE 120 2.868 3.544 0.669 1.00 3.30 A ATOM 2043 CG PHE 120 1.704 5.062 -0.268 1.00 51.41 A ATOM 2044 CD1 PHE 120 0.917 4.230 -1.068 1.00 43.32 A ATOM 2045 HD1 PHE 120 0.865 3.170 -0.846 1.00 23.44 A ATOM 2046 CD2 PHE 120 1.744 6.429 -0.584 1.00 64.11 A ATOM 2047 HD2 PHE 120 2.349 7.100 0.016 1.00 2.02 A ATOM 2048 CE1 PHE 120 0.200 4.744 -2.129 1.00 64.33 A ATOM 2049 HE1 PHE 120 -0.407 4.090 -2.741 1.00 3.13 A ATOM 2050 CE2 PHE 120 1.031 6.931 -1.653 1.00 14.10 A ATOM 2051 HE2 PHE 120 1.073 7.988 -1.884 1.00 60.11 A ATOM 2052 CZ PHE 120 0.258 6.091 -2.420 1.00 71.42 A ATOM 2053 HZ PHE 120 -0.312 6.489 -3.246 1.00 24.13 A ATOM 2054 C PHE 120 3.883 4.983 2.982 1.00 50.43 A ATOM 2055 O PHE 120 3.463 5.653 3.926 1.00 1.32 A ATOM 2056 N MET 121 4.608 3.865 3.126 1.00 44.44 A ATOM 2057 HN MET 121 4.850 3.370 2.315 1.00 53.01 A ATOM 2058 CA MET 121 5.023 3.327 4.437 1.00 71.45 A ATOM 2059 HA MET 121 4.134 3.273 5.064 1.00 75.30 A ATOM 2060 CB MET 121 5.600 1.900 4.271 1.00 71.41 A ATOM 2061 HB1 MET 121 6.012 1.574 5.220 1.00 54.53 A ATOM 2062 HB2 MET 121 6.400 1.931 3.541 1.00 4.55 A ATOM 2063 CG MET 121 4.578 0.851 3.815 1.00 13.23 A ATOM 2064 HG1 MET 121 4.196 1.123 2.839 1.00 30.43 A ATOM 2065 HG2 MET 121 3.757 0.822 4.521 1.00 40.43 A ATOM 2066 SD MET 121 5.295 -0.800 3.713 1.00 62.12 A ATOM 2067 CE MET 121 6.516 -0.595 2.411 1.00 51.15 A ATOM 2068 HE1 MET 121 7.244 0.149 2.705 1.00 32.31 A ATOM 2069 HE2 MET 121 6.026 -0.282 1.500 1.00 1.25 A ATOM 2070 HE3 MET 121 7.016 -1.537 2.238 1.00 73.40 A ATOM 2071 C MET 121 6.049 4.241 5.126 1.00 5.53 A ATOM 2072 O MET 121 6.092 4.300 6.361 1.00 5.51 A ATOM 2073 N GLN 122 6.877 4.935 4.316 1.00 14.12 A ATOM 2074 HN GLN 122 6.837 4.764 3.352 1.00 71.21 A ATOM 2075 CA GLN 122 7.866 5.908 4.818 1.00 72.53 A ATOM 2076 HA GLN 122 8.425 5.420 5.611 1.00 55.12 A ATOM 2077 CB GLN 122 8.859 6.316 3.691 1.00 73.53 A ATOM 2078 HB1 GLN 122 8.303 6.783 2.883 1.00 74.31 A ATOM 2079 HB2 GLN 122 9.330 5.416 3.307 1.00 24.51 A ATOM 2080 CG GLN 122 9.971 7.290 4.150 1.00 24.01 A ATOM 2081 HG1 GLN 122 10.538 6.821 4.948 1.00 10.31 A ATOM 2082 HG2 GLN 122 9.502 8.188 4.537 1.00 32.30 A ATOM 2083 CD GLN 122 10.947 7.694 3.038 1.00 31.40 A ATOM 2084 OE1 GLN 122 11.206 6.933 2.107 1.00 20.20 A ATOM 2085 NE2 GLN 122 11.510 8.888 3.132 1.00 51.11 A ATOM 2086 HE21 GLN 122 11.278 9.459 3.899 1.00 42.24 A ATOM 2087 HE22 GLN 122 12.135 9.157 2.429 1.00 64.10 A ATOM 2088 C GLN 122 7.166 7.147 5.404 1.00 52.13 A ATOM 2089 O GLN 122 7.480 7.575 6.521 1.00 55.43 A ATOM 2090 N LYS 123 6.192 7.684 4.646 1.00 52.50 A ATOM 2091 HN LYS 123 5.990 7.257 3.788 1.00 23.34 A ATOM 2092 CA LYS 123 5.398 8.859 5.058 1.00 35.24 A ATOM 2093 HA LYS 123 6.095 9.652 5.323 1.00 63.24 A ATOM 2094 CB LYS 123 4.490 9.341 3.894 1.00 43.11 A ATOM 2095 HB1 LYS 123 3.832 10.118 4.266 1.00 50.31 A ATOM 2096 HB2 LYS 123 3.879 8.504 3.566 1.00 42.11 A ATOM 2097 CG LYS 123 5.250 9.896 2.665 1.00 50.52 A ATOM 2098 HG1 LYS 123 5.884 9.113 2.263 1.00 55.43 A ATOM 2099 HG2 LYS 123 5.874 10.725 2.985 1.00 23.31 A ATOM 2100 CD LYS 123 4.298 10.391 1.548 1.00 62.25 A ATOM 2101 HD1 LYS 123 3.624 11.137 1.961 1.00 51.41 A ATOM 2102 HD2 LYS 123 3.714 9.553 1.180 1.00 3.01 A ATOM 2103 CE LYS 123 5.065 11.015 0.368 1.00 43.44 A ATOM 2104 HE1 LYS 123 5.685 11.823 0.738 1.00 23.53 A ATOM 2105 HE2 LYS 123 4.355 11.414 -0.342 1.00 23.13 A ATOM 2106 NZ LYS 123 5.938 10.030 -0.336 1.00 33.22 A ATOM 2107 HZ1 LYS 123 6.594 9.581 0.334 1.00 24.14 A ATOM 2108 HZ2 LYS 123 6.494 10.516 -1.071 1.00 65.20 A ATOM 2109 HZ3 LYS 123 5.359 9.296 -0.790 1.00 61.15 A ATOM 2110 C LYS 123 4.546 8.518 6.291 1.00 25.14 A ATOM 2111 O LYS 123 4.471 9.304 7.239 1.00 12.42 A ATOM 2112 N ALA 124 3.945 7.314 6.266 1.00 3.34 A ATOM 2113 HN ALA 124 4.029 6.772 5.456 1.00 33.42 A ATOM 2114 CA ALA 124 3.170 6.759 7.388 1.00 33.22 A ATOM 2115 HA ALA 124 2.335 7.429 7.583 1.00 42.40 A ATOM 2116 CB ALA 124 2.614 5.382 7.003 1.00 3.45 A ATOM 2117 HB1 ALA 124 2.001 5.477 6.117 1.00 44.33 A ATOM 2118 HB2 ALA 124 2.011 4.989 7.812 1.00 0.23 A ATOM 2119 HB3 ALA 124 3.430 4.697 6.799 1.00 61.44 A ATOM 2120 C ALA 124 4.038 6.642 8.645 1.00 2.23 A ATOM 2121 O ALA 124 3.612 7.002 9.745 1.00 24.40 A ATOM 2122 N GLY 125 5.285 6.186 8.430 1.00 45.44 A ATOM 2123 HN GLY 125 5.550 5.986 7.507 1.00 24.10 A ATOM 2124 CA GLY 125 6.259 6.004 9.501 1.00 41.43 A ATOM 2125 HA1 GLY 125 7.103 5.454 9.108 1.00 51.52 A ATOM 2126 HA2 GLY 125 5.803 5.420 10.294 1.00 64.45 A ATOM 2127 C GLY 125 6.763 7.318 10.072 1.00 54.41 A ATOM 2128 O GLY 125 7.170 7.373 11.232 1.00 14.42 A ATOM 2129 N SER 126 6.719 8.379 9.251 1.00 12.41 A ATOM 2130 HN SER 126 6.352 8.261 8.351 1.00 44.33 A ATOM 2131 CA SER 126 7.146 9.729 9.644 1.00 3.50 A ATOM 2132 HA SER 126 7.990 9.630 10.322 1.00 12.43 A ATOM 2133 CB SER 126 7.600 10.508 8.393 1.00 13.42 A ATOM 2134 HB1 SER 126 7.927 11.495 8.684 1.00 64.23 A ATOM 2135 HB2 SER 126 6.770 10.593 7.699 1.00 3.10 A ATOM 2136 OG SER 126 8.679 9.845 7.737 1.00 1.12 A ATOM 2137 HG SER 126 8.514 8.894 7.725 1.00 3.52 A ATOM 2138 C SER 126 6.012 10.480 10.378 1.00 52.51 A ATOM 2139 O SER 126 6.282 11.368 11.194 1.00 65.32 A ATOM 2140 N LEU 127 4.745 10.116 10.072 1.00 35.44 A ATOM 2141 HN LEU 127 4.604 9.451 9.366 1.00 55.10 A ATOM 2142 CA LEU 127 3.558 10.675 10.754 1.00 62.20 A ATOM 2143 HA LEU 127 3.687 11.756 10.816 1.00 61.13 A ATOM 2144 CB LEU 127 2.254 10.371 9.949 1.00 3.41 A ATOM 2145 HB1 LEU 127 1.400 10.678 10.548 1.00 43.31 A ATOM 2146 HB2 LEU 127 2.189 9.296 9.805 1.00 32.24 A ATOM 2147 CG LEU 127 2.127 11.060 8.550 1.00 43.42 A ATOM 2148 HG LEU 127 2.974 10.763 7.943 1.00 72.12 A ATOM 2149 CD1 LEU 127 0.854 10.589 7.804 1.00 13.00 A ATOM 2150 HD11 LEU 127 -0.031 10.862 8.367 1.00 33.31 A ATOM 2151 HD12 LEU 127 0.884 9.513 7.689 1.00 4.23 A ATOM 2152 HD13 LEU 127 0.809 11.044 6.822 1.00 13.21 A ATOM 2153 CD2 LEU 127 2.179 12.600 8.679 1.00 12.31 A ATOM 2154 HD21 LEU 127 3.126 12.894 9.109 1.00 14.22 A ATOM 2155 HD22 LEU 127 1.375 12.949 9.314 1.00 23.24 A ATOM 2156 HD23 LEU 127 2.080 13.052 7.699 1.00 34.44 A ATOM 2157 C LEU 127 3.469 10.109 12.181 1.00 24.15 A ATOM 2158 O LEU 127 3.353 10.859 13.153 1.00 31.51 A ATOM 2159 N GLU 128 3.573 8.773 12.275 1.00 21.01 A ATOM 2160 HN GLU 128 3.690 8.259 11.447 1.00 43.32 A ATOM 2161 CA GLU 128 3.510 8.041 13.550 1.00 71.42 A ATOM 2162 HA GLU 128 2.613 8.360 14.072 1.00 43.11 A ATOM 2163 CB GLU 128 3.415 6.522 13.271 1.00 54.35 A ATOM 2164 HB1 GLU 128 3.374 5.991 14.215 1.00 62.31 A ATOM 2165 HB2 GLU 128 4.307 6.206 12.742 1.00 32.53 A ATOM 2166 CG GLU 128 2.189 6.103 12.442 1.00 3.05 A ATOM 2167 HG1 GLU 128 2.298 5.057 12.171 1.00 75.34 A ATOM 2168 HG2 GLU 128 2.166 6.692 11.529 1.00 52.33 A ATOM 2169 CD GLU 128 0.853 6.290 13.180 1.00 64.02 A ATOM 2170 OE1 GLU 128 0.382 5.331 13.828 1.00 53.10 A ATOM 2171 OE2 GLU 128 0.271 7.388 13.111 1.00 44.12 A ATOM 2172 C GLU 128 4.732 8.338 14.426 1.00 61.12 A ATOM 2173 O GLU 128 4.622 8.444 15.650 1.00 24.10 A ATOM 2174 N HIS 129 5.899 8.466 13.781 1.00 24.23 A ATOM 2175 HN HIS 129 5.896 8.441 12.800 1.00 34.25 A ATOM 2176 CA HIS 129 7.182 8.664 14.461 1.00 24.13 A ATOM 2177 HA HIS 129 7.000 8.805 15.529 1.00 12.22 A ATOM 2178 CB HIS 129 8.084 7.411 14.275 1.00 42.52 A ATOM 2179 HB1 HIS 129 8.999 7.541 14.846 1.00 62.35 A ATOM 2180 HB2 HIS 129 8.341 7.306 13.228 1.00 11.05 A ATOM 2181 CG HIS 129 7.444 6.120 14.715 1.00 41.41 A ATOM 2182 ND1 HIS 129 6.921 5.197 13.833 1.00 45.24 A ATOM 2183 HD1 HIS 129 6.925 5.276 12.855 1.00 65.45 A ATOM 2184 CD2 HIS 129 7.243 5.604 15.949 1.00 34.22 A ATOM 2185 HD2 HIS 129 7.534 6.058 16.890 1.00 44.02 A ATOM 2186 CE1 HIS 129 6.432 4.176 14.507 1.00 61.14 A ATOM 2187 HE1 HIS 129 5.962 3.303 14.080 1.00 64.40 A ATOM 2188 NE2 HIS 129 6.614 4.397 15.791 1.00 43.33 A ATOM 2189 HE2 HIS 129 6.164 3.901 16.510 1.00 37.85 A ATOM 2190 C HIS 129 7.862 9.922 13.903 1.00 41.31 A ATOM 2191 O HIS 129 8.389 9.903 12.784 1.00 55.13 A ATOM 2192 N HIS 130 7.810 11.021 14.685 1.00 65.14 A ATOM 2193 HN HIS 130 7.303 10.969 15.521 1.00 45.13 A ATOM 2194 CA HIS 130 8.449 12.307 14.321 1.00 42.35 A ATOM 2195 HA HIS 130 8.201 12.500 13.278 1.00 44.24 A ATOM 2196 CB HIS 130 7.888 13.479 15.175 1.00 14.24 A ATOM 2197 HB1 HIS 130 6.812 13.522 15.040 1.00 42.11 A ATOM 2198 HB2 HIS 130 8.309 14.407 14.813 1.00 1.20 A ATOM 2199 CG HIS 130 8.159 13.410 16.663 1.00 73.34 A ATOM 2200 ND1 HIS 130 7.262 12.890 17.574 1.00 22.34 A ATOM 2201 HD1 HIS 130 6.368 12.536 17.368 1.00 13.43 A ATOM 2202 CD2 HIS 130 9.225 13.818 17.397 1.00 61.52 A ATOM 2203 HD2 HIS 130 10.126 14.281 17.016 1.00 43.34 A ATOM 2204 CE1 HIS 130 7.764 12.988 18.790 1.00 31.43 A ATOM 2205 HE1 HIS 130 7.281 12.664 19.699 1.00 4.30 A ATOM 2206 NE2 HIS 130 8.952 13.545 18.712 1.00 51.11 A ATOM 2207 HE2 HIS 130 9.443 13.913 19.481 1.00 37.85 A ATOM 2208 C HIS 130 9.984 12.220 14.427 1.00 41.54 A ATOM 2209 O HIS 130 10.701 13.058 13.875 1.00 30.54 A ATOM 2210 N HIS 131 10.463 11.222 15.183 1.00 54.41 A ATOM 2211 HN HIS 131 9.828 10.717 15.730 1.00 51.14 A ATOM 2212 CA HIS 131 11.882 10.818 15.221 1.00 2.34 A ATOM 2213 HA HIS 131 12.465 11.531 14.637 1.00 41.51 A ATOM 2214 CB HIS 131 12.411 10.796 16.683 1.00 4.05 A ATOM 2215 HB1 HIS 131 13.389 10.330 16.695 1.00 64.30 A ATOM 2216 HB2 HIS 131 11.736 10.208 17.294 1.00 52.41 A ATOM 2217 CG HIS 131 12.552 12.157 17.322 1.00 13.52 A ATOM 2218 ND1 HIS 131 12.398 12.386 18.679 1.00 33.20 A ATOM 2219 HD1 HIS 131 12.188 11.706 19.359 1.00 72.44 A ATOM 2220 CD2 HIS 131 12.873 13.360 16.784 1.00 4.25 A ATOM 2221 HD2 HIS 131 13.051 13.566 15.738 1.00 60.14 A ATOM 2222 CE1 HIS 131 12.614 13.666 18.934 1.00 44.20 A ATOM 2223 HE1 HIS 131 12.555 14.139 19.904 1.00 24.54 A ATOM 2224 NE2 HIS 131 12.907 14.275 17.803 1.00 34.35 A ATOM 2225 HE2 HIS 131 13.332 15.158 17.745 1.00 37.85 A ATOM 2226 C HIS 131 12.038 9.431 14.574 1.00 62.51 A ATOM 2227 O HIS 131 11.047 8.824 14.145 1.00 31.52 A ATOM 2228 N HIS 132 13.282 8.932 14.513 1.00 30.42 A ATOM 2229 HN HIS 132 14.024 9.462 14.886 1.00 33.51 A ATOM 2230 CA HIS 132 13.585 7.628 13.901 1.00 63.31 A ATOM 2231 HA HIS 132 12.689 7.011 13.959 1.00 23.52 A ATOM 2232 CB HIS 132 13.964 7.835 12.402 1.00 52.43 A ATOM 2233 HB1 HIS 132 14.957 8.269 12.345 1.00 25.10 A ATOM 2234 HB2 HIS 132 13.264 8.532 11.957 1.00 42.12 A ATOM 2235 CG HIS 132 13.957 6.587 11.549 1.00 44.13 A ATOM 2236 ND1 HIS 132 12.870 6.191 10.787 1.00 15.22 A ATOM 2237 HD1 HIS 132 12.013 6.662 10.721 1.00 42.22 A ATOM 2238 CD2 HIS 132 14.918 5.662 11.315 1.00 34.41 A ATOM 2239 HD2 HIS 132 15.911 5.644 11.745 1.00 62.23 A ATOM 2240 CE1 HIS 132 13.169 5.083 10.140 1.00 63.33 A ATOM 2241 HE1 HIS 132 12.508 4.537 9.482 1.00 21.51 A ATOM 2242 NE2 HIS 132 14.399 4.745 10.442 1.00 62.44 A ATOM 2243 HE2 HIS 132 14.865 3.951 10.103 1.00 37.85 A ATOM 2244 C HIS 132 14.695 6.933 14.719 1.00 65.03 A ATOM 2245 O HIS 132 15.881 7.001 14.378 1.00 2.13 A ATOM 2246 N HIS 133 14.269 6.301 15.834 1.00 5.22 A ATOM 2247 HN HIS 133 13.303 6.272 15.996 1.00 13.20 A ATOM 2248 CA HIS 133 15.154 5.654 16.829 1.00 71.14 A ATOM 2249 HA HIS 133 15.838 6.417 17.200 1.00 41.43 A ATOM 2250 CB HIS 133 14.301 5.126 18.022 1.00 62.52 A ATOM 2251 HB1 HIS 133 13.579 4.409 17.648 1.00 32.20 A ATOM 2252 HB2 HIS 133 13.762 5.957 18.458 1.00 25.34 A ATOM 2253 CG HIS 133 15.081 4.452 19.134 1.00 3.14 A ATOM 2254 ND1 HIS 133 15.531 3.148 19.054 1.00 13.25 A ATOM 2255 HD1 HIS 133 15.404 2.543 18.294 1.00 11.24 A ATOM 2256 CD2 HIS 133 15.474 4.892 20.358 1.00 43.54 A ATOM 2257 HD2 HIS 133 15.280 5.867 20.788 1.00 15.03 A ATOM 2258 CE1 HIS 133 16.161 2.828 20.160 1.00 62.20 A ATOM 2259 HE1 HIS 133 16.619 1.874 20.372 1.00 4.30 A ATOM 2260 NE2 HIS 133 16.143 3.862 20.964 1.00 42.34 A ATOM 2261 HE2 HIS 133 16.428 3.845 21.903 1.00 37.85 A ATOM 2262 C HIS 133 15.968 4.500 16.212 1.00 15.14 A ATOM 2263 O HIS 133 15.400 3.586 15.597 1.00 64.42 A ATOM 2264 N HIS 134 17.295 4.557 16.409 1.00 33.43 A ATOM 2265 HN HIS 134 17.657 5.330 16.897 1.00 44.12 A ATOM 2266 HA HIS 134 17.680 2.594 15.853 1.00 32.23 A ATOM 2267 CB HIS 134 18.871 3.871 14.568 1.00 14.23 A ATOM 2268 HB1 HIS 134 18.096 3.806 13.816 1.00 4.41 A ATOM 2269 HB2 HIS 134 19.628 3.133 14.340 1.00 14.24 A ATOM 2270 CG HIS 134 19.519 5.232 14.427 1.00 31.03 A ATOM 2271 ND1 HIS 134 20.755 5.426 13.834 1.00 44.52 A ATOM 2272 HD1 HIS 134 21.348 4.721 13.484 1.00 4.22 A ATOM 2273 CD2 HIS 134 19.074 6.469 14.745 1.00 31.23 A ATOM 2274 HD2 HIS 134 18.126 6.709 15.204 1.00 54.42 A ATOM 2275 CE1 HIS 134 21.034 6.717 13.815 1.00 22.32 A ATOM 2276 HE1 HIS 134 21.926 7.171 13.399 1.00 20.13 A ATOM 2277 NE2 HIS 134 20.031 7.367 14.362 1.00 44.24 A ATOM 2278 HE2 HIS 134 20.083 8.298 14.675 1.00 37.85 A ATOM 2279 CA HIS 134 18.242 3.520 15.965 1.00 62.41 A ATOM 2280 C HIS 134 19.297 3.287 17.080 1.00 33.23 A ATOM 2281 O HIS 134 20.450 3.743 16.969 1.00 45.52 A ATOM 2282 OXT HIS 134 18.936 2.676 18.105 1.00 37.85 A ATOM 2283 X ANI 900 -0.552 -37.092 -16.204 1.00 0.00 ATOM 2284 Y ANI 900 0.790 -37.449 -16.436 1.00 0.00 ATOM 2285 Z ANI 900 0.476 -36.397 -15.534 1.00 0.00 ATOM 2286 OO ANI 900 0.267 -36.601 -16.489 1.00 0.00 ATOM 2287 X ANI 901 -24.954 -54.226 -29.431 1.00 0.00 ATOM 2288 Y ANI 901 -26.145 -53.841 -30.082 1.00 0.00 ATOM 2289 Z ANI 901 -26.064 -53.807 -28.667 1.00 0.00 ATOM 2290 OO ANI 901 -25.913 -54.498 -29.370 1.00 0.00 ATOM 2291 OH2 TIP3 1 -17.146 -13.095 -5.548 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 1 -16.809 -12.888 -6.440 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 1 -17.417 -12.243 -5.193 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 2 -21.642 -13.812 0.313 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 2 -21.067 -13.062 0.561 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 2 -22.061 -14.076 1.147 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 3 -16.535 -12.684 -8.478 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 3 -16.292 -13.486 -8.967 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 3 -15.734 -12.126 -8.519 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 4 -21.086 -11.613 -1.930 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 4 -20.301 -11.875 -1.423 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 4 -20.771 -11.584 -2.855 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 5 -21.347 -9.422 -9.705 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 5 -20.456 -9.699 -9.415 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 5 -21.925 -10.109 -9.374 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 6 -19.895 -11.678 -4.694 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 6 -19.715 -12.624 -4.517 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 6 -20.105 -11.647 -5.628 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 7 -14.005 -11.008 -8.259 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 7 -13.272 -11.454 -7.811 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 7 -13.597 -10.605 -9.035 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 8 -18.634 -10.497 -8.834 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 8 -17.976 -9.829 -9.108 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 8 -18.109 -11.303 -8.703 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 9 -16.105 -15.366 -1.219 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 9 -15.730 -15.989 -0.572 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 9 -16.558 -14.700 -0.667 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 10 -17.952 -15.871 -7.093 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 10 -17.643 -16.397 -6.342 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 10 -18.047 -14.979 -6.733 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 11 -13.484 -18.754 2.819 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 11 -13.371 -18.015 3.443 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 11 -13.947 -19.431 3.336 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 12 -22.701 -14.737 4.852 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 12 -23.117 -14.943 4.003 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 12 -21.962 -14.137 4.617 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 13 -25.440 -13.178 -7.192 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 13 -25.496 -12.528 -6.470 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 13 -26.193 -13.750 -7.052 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 14 -22.812 -12.286 2.879 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 14 -21.908 -12.464 3.204 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 14 -23.247 -11.843 3.625 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 15 -14.622 -9.270 -12.309 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 15 -15.306 -9.794 -12.725 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 15 -13.946 -9.151 -13.013 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 16 -25.898 -11.374 -4.743 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 16 -26.387 -10.630 -4.393 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 16 -25.223 -11.556 -4.063 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 17 -12.557 -9.065 -14.401 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 17 -11.876 -9.663 -14.751 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 17 -12.567 -8.317 -15.032 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 18 -22.805 -6.231 -7.366 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 18 -22.405 -6.278 -8.252 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 18 -23.695 -6.555 -7.489 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 19 -22.254 -19.091 5.312 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 19 -22.786 -19.548 5.961 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 19 -21.520 -18.713 5.827 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 20 -21.275 -16.226 -1.518 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 20 -21.285 -15.477 -0.896 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 20 -20.920 -16.955 -1.004 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 21 -21.683 -15.575 7.591 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 21 -21.078 -16.320 7.459 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 21 -22.028 -15.390 6.696 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 22 -21.260 -17.940 2.654 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 22 -21.688 -18.494 3.333 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 22 -20.713 -17.314 3.167 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 23 -16.401 -8.616 -9.639 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 23 -15.439 -8.644 -9.540 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 23 -16.641 -7.711 -9.389 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 24 -18.144 -12.245 -1.439 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 24 -17.859 -12.723 -0.639 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 24 -18.337 -12.947 -2.080 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 25 -24.055 -11.663 -2.368 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 25 -23.084 -11.623 -2.282 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 25 -24.286 -12.543 -2.033 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 26 -21.649 -9.541 4.163 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 26 -21.283 -10.300 4.656 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 26 -22.607 -9.673 4.209 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 27 -13.382 -7.795 -8.980 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 27 -13.992 -7.507 -8.268 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 27 -12.705 -7.092 -9.010 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 28 -19.461 -14.351 -3.293 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 28 -20.143 -14.894 -2.870 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 28 -18.738 -14.974 -3.477 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 29 -27.106 -10.283 5.155 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 29 -27.293 -10.804 4.346 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 29 -27.739 -10.609 5.796 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 30 -24.089 -14.624 -1.360 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 30 -23.275 -14.327 -0.916 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 30 -23.796 -15.339 -1.931 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 31 -19.565 -12.098 1.469 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 31 -19.903 -12.438 2.326 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 31 -18.801 -12.687 1.271 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 32 -19.678 -16.012 4.391 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 32 -20.046 -15.107 4.304 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 32 -18.726 -15.894 4.209 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 33 -17.304 -18.404 3.255 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 33 -17.065 -17.489 3.484 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 33 -18.050 -18.310 2.662 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 34 -16.835 -15.468 3.825 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 34 -16.527 -15.197 4.706 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 34 -16.826 -14.627 3.301 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 35 -11.298 -12.153 -7.034 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 35 -10.881 -12.363 -7.883 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 35 -11.651 -13.009 -6.722 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 36 -16.277 -15.610 -9.672 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 36 -16.664 -15.802 -8.800 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 36 -16.832 -16.090 -10.285 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 37 -16.886 -15.862 -4.184 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 37 -16.327 -15.888 -3.394 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 37 -16.693 -14.994 -4.583 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 38 -13.265 -16.305 4.675 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 38 -12.461 -16.108 4.155 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 38 -12.937 -16.427 5.576 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 39 -15.456 -20.333 4.652 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 39 -15.853 -21.148 4.351 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 39 -16.040 -19.635 4.293 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 40 -13.965 -14.405 -3.219 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 40 -14.550 -14.657 -2.487 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 40 -14.005 -13.437 -3.228 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 41 -15.170 -16.445 1.497 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 41 -15.756 -15.981 2.117 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 41 -14.841 -17.204 2.002 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 42 -18.069 -6.628 -4.220 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 42 -17.254 -6.201 -4.569 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 42 -18.785 -6.246 -4.755 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 43 -24.499 -8.979 -0.969 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 43 -24.479 -9.771 -1.533 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 43 -23.644 -8.558 -1.117 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 44 -24.099 -10.913 5.329 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 44 -23.969 -11.592 6.009 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 44 -25.058 -10.741 5.342 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 45 -22.934 -7.402 1.514 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 45 -21.993 -7.663 1.531 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 45 -23.415 -8.234 1.667 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 46 -19.011 -15.062 10.856 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 46 -19.379 -14.328 10.329 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 46 -19.632 -15.799 10.709 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 47 -20.069 -13.047 8.789 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 47 -20.609 -12.258 8.879 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 47 -20.612 -13.649 8.258 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 48 -17.939 -6.879 18.508 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 48 -17.887 -6.674 19.459 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 48 -17.098 -6.532 18.145 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 49 -20.158 -9.721 10.834 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 49 -20.173 -8.808 10.498 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 49 -21.004 -9.818 11.300 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 50 -19.526 -9.004 13.818 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 50 -19.586 -9.048 12.849 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 50 -18.798 -9.615 14.041 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 51 -22.015 -9.011 15.495 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 51 -21.218 -9.112 14.931 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 51 -21.661 -8.697 16.344 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 52 -19.195 -10.336 16.994 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 52 -18.722 -10.432 16.147 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 52 -19.437 -11.249 17.234 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 53 -19.960 -17.848 9.915 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 53 -19.330 -18.571 9.837 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 53 -20.327 -17.754 9.026 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 54 -17.252 -18.993 7.691 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 54 -16.941 -18.270 8.267 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 54 -16.523 -19.614 7.676 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 55 -16.868 -15.347 12.970 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 55 -17.517 -15.353 12.242 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 55 -16.176 -15.974 12.682 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 56 -24.671 -8.084 16.885 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 56 -24.020 -8.668 16.468 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 56 -24.155 -7.567 17.520 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 57 -16.622 -16.628 9.495 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 57 -16.014 -16.744 10.240 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 57 -17.409 -16.218 9.888 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 58 -22.753 -9.292 12.470 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 58 -22.822 -9.229 13.436 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 58 -23.127 -8.452 12.148 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 59 -13.284 -11.039 23.131 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 59 -12.772 -10.972 23.958 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 59 -13.978 -10.375 23.227 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 60 -26.427 -4.717 12.624 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 60 -27.254 -5.057 12.273 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 60 -26.150 -4.049 11.971 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 61 -20.550 -6.707 10.546 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 61 -20.221 -5.837 10.279 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 61 -21.495 -6.569 10.708 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 62 -15.443 -14.954 6.399 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 62 -15.295 -15.896 6.230 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 62 -14.591 -14.534 6.157 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 63 -15.512 -8.840 17.358 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 63 -16.383 -8.968 17.742 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 63 -15.454 -7.867 17.206 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 64 -23.218 -12.893 7.449 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 64 -22.483 -12.777 6.807 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 64 -23.178 -13.832 7.684 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 65 -19.871 -17.850 6.777 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 65 -19.661 -17.295 6.000 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 65 -19.028 -18.302 6.982 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 66 -15.447 -20.596 12.034 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 66 -14.955 -19.936 11.529 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 66 -15.183 -20.444 12.941 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 67 -17.615 -10.763 19.563 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 67 -18.143 -10.457 20.329 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 67 -18.170 -10.557 18.794 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 68 -20.639 -7.905 17.990 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 68 -20.227 -8.780 17.851 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 68 -19.915 -7.363 18.361 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 69 -27.487 -12.051 2.693 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 69 -26.677 -12.167 2.160 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 69 -28.152 -12.551 2.221 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 70 -25.109 -12.843 0.958 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 70 -24.971 -13.466 0.229 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 70 -24.321 -12.955 1.520 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 71 -24.443 -10.795 9.181 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 71 -24.205 -11.180 10.046 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 71 -24.270 -11.514 8.547 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 72 -23.490 -12.216 11.693 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 72 -23.177 -11.344 11.983 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 72 -23.431 -12.760 12.476 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 73 -23.345 -15.772 1.971 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 73 -22.683 -16.479 2.097 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 73 -24.128 -16.235 1.669 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 74 -12.224 -15.949 7.589 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 74 -12.534 -15.046 7.335 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 74 -11.346 -16.018 7.168 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 75 -21.629 -9.918 7.791 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 75 -22.269 -10.346 8.371 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 75 -21.326 -10.633 7.195 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 76 -13.674 -14.551 9.869 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 76 -12.893 -14.359 10.426 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 76 -13.360 -15.223 9.242 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 77 -21.326 -14.926 16.507 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 77 -22.090 -15.121 17.050 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 77 -20.766 -14.372 17.071 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 78 -19.018 -13.273 17.911 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 78 -18.241 -13.330 18.487 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 78 -18.710 -13.631 17.058 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 79 -14.555 -16.821 11.843 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 79 -14.037 -17.597 11.584 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 79 -14.065 -16.071 11.473 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 80 -13.236 -19.170 10.296 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 80 -12.412 -18.678 10.130 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 80 -13.138 -19.977 9.780 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 81 -18.613 -14.273 15.097 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 81 -18.124 -14.690 14.358 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 81 -19.491 -14.684 15.066 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 82 -18.134 -2.397 19.763 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 82 -18.372 -1.485 19.981 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 82 -17.793 -2.765 20.602 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 83 -22.695 -2.986 19.812 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 83 -23.609 -3.285 19.642 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 83 -22.774 -2.412 20.577 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 84 -13.143 -12.820 30.038 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 84 -13.192 -12.706 30.988 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 84 -13.657 -13.609 29.864 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 85 -15.202 -9.737 20.967 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 85 -15.603 -9.506 21.818 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 85 -15.936 -10.111 20.449 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 86 -15.506 -8.620 23.842 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 86 -15.121 -8.405 24.694 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 86 -15.204 -7.900 23.252 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 87 -10.081 4.052 -24.160 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 87 -9.610 4.899 -24.099 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 87 -10.474 3.934 -23.281 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 88 -17.266 -1.060 -18.720 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 88 -16.897 -1.741 -18.134 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 88 -16.751 -1.149 -19.543 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 89 -16.073 7.321 -16.129 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 89 -16.419 8.097 -16.601 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 89 -15.248 7.107 -16.601 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 90 -17.236 -0.402 -14.922 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 90 -17.684 0.108 -15.617 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 90 -17.845 -1.146 -14.739 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 91 -18.503 -4.584 -17.679 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 91 -17.825 -4.070 -17.197 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 91 -18.157 -4.655 -18.567 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 92 -12.965 3.878 -13.449 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 92 -12.229 3.292 -13.175 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 92 -12.547 4.741 -13.561 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 93 -18.937 5.237 -14.100 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 93 -18.135 4.699 -14.253 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 93 -19.558 4.618 -13.680 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 94 -10.661 2.130 -12.675 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 94 -10.228 1.771 -13.478 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 94 -9.933 2.539 -12.171 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 95 -16.928 10.155 -14.373 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 95 -15.978 10.389 -14.506 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 95 -17.138 9.591 -15.130 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 96 -14.460 0.657 -9.600 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 96 -14.268 -0.163 -10.090 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 96 -15.297 0.475 -9.153 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 97 -16.810 9.912 -17.543 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 97 -17.667 10.367 -17.593 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 97 -16.160 10.629 -17.512 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 98 -15.370 6.072 -13.456 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 98 -15.656 5.158 -13.612 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 98 -15.475 6.505 -14.326 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 99 -19.177 11.004 -12.493 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 99 -20.074 10.645 -12.623 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 99 -18.652 10.596 -13.210 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 100 -17.599 6.229 -9.775 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 100 -17.908 6.780 -9.035 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 100 -18.400 5.767 -10.083 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 101 -16.729 3.326 -14.161 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 101 -16.318 3.026 -13.334 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 101 -16.171 2.939 -14.860 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 102 -15.194 12.535 -16.717 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 102 -14.376 12.817 -17.167 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 102 -14.869 11.988 -15.963 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 103 -14.830 3.856 -18.579 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 103 -14.261 3.168 -18.940 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 103 -14.894 3.641 -17.636 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 104 -10.093 13.123 -16.265 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 104 -9.989 12.857 -17.197 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 104 -10.659 12.419 -15.880 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 105 -20.332 5.332 -10.726 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 105 -20.693 4.546 -10.272 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 105 -20.265 5.053 -11.651 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 106 -8.524 2.473 -10.642 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 106 -8.189 2.738 -9.777 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 106 -7.781 1.971 -11.047 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 107 -18.490 1.280 -17.220 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 107 -18.285 0.536 -17.823 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 107 -17.956 2.006 -17.552 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 108 -20.964 -3.584 -16.173 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 108 -21.433 -3.081 -16.838 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 108 -20.247 -4.028 -16.668 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 109 -14.184 -3.927 -13.336 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 109 -13.739 -4.141 -14.167 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 109 -14.586 -4.772 -13.052 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 110 -11.971 -1.260 -13.358 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 110 -12.903 -1.495 -13.272 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 110 -11.843 -1.157 -14.318 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 111 -16.889 12.782 -12.107 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 111 -17.568 12.156 -12.418 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 111 -16.048 12.316 -12.255 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 112 -17.701 13.766 -15.718 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 112 -16.901 13.228 -15.869 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 112 -17.362 14.674 -15.646 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 113 -21.738 9.702 -13.318 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 113 -22.471 9.066 -13.266 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 113 -22.173 10.573 -13.323 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 114 -20.242 2.158 -6.979 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 114 -21.032 1.878 -6.487 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 114 -19.905 1.333 -7.383 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 115 -21.952 1.112 -2.542 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 115 -21.121 0.721 -2.168 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 115 -21.896 2.050 -2.303 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 116 -21.163 8.771 -7.032 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 116 -21.208 8.193 -6.249 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 116 -21.982 8.581 -7.514 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 117 -20.103 2.530 0.958 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 117 -20.128 1.638 0.547 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 117 -19.561 3.062 0.331 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 118 -22.987 0.047 4.232 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 118 -23.257 0.819 3.707 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 118 -22.187 -0.283 3.772 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 119 -21.480 4.112 -3.044 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 119 -21.660 4.449 -2.147 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 119 -22.172 4.509 -3.593 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 120 -23.164 4.675 -5.573 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 120 -23.301 4.712 -6.539 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 120 -22.737 5.526 -5.360 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 121 -22.778 2.519 2.502 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 121 -23.162 2.078 1.717 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 121 -21.819 2.397 2.397 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 122 -24.193 -5.747 -0.783 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 122 -24.404 -4.966 -0.254 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 122 -23.997 -6.437 -0.129 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 123 -16.541 7.427 -5.680 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 123 -16.448 8.311 -5.278 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 123 -17.105 7.579 -6.457 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 124 -22.683 1.711 -5.296 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 124 -22.908 2.661 -5.355 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 124 -22.643 1.534 -4.340 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 125 -18.102 -5.163 -12.957 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 125 -18.081 -5.856 -13.618 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 125 -17.274 -5.273 -12.468 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 126 -20.711 5.291 2.579 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 126 -20.273 5.551 1.741 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 126 -20.330 4.430 2.786 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 127 -20.363 0.000 -12.644 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 127 -20.216 -0.925 -12.907 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 127 -19.518 0.271 -12.245 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 128 -24.166 7.951 -7.712 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 128 -24.310 7.026 -7.472 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 128 -23.789 7.908 -8.610 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 129 -17.074 -5.608 -9.457 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 129 -17.860 -5.099 -9.175 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 129 -16.617 -5.815 -8.617 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 130 -23.695 4.675 4.419 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 130 -23.747 5.401 3.774 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 130 -23.482 3.890 3.873 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 131 -21.368 12.535 -9.796 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 131 -20.982 13.239 -10.353 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 131 -22.168 12.277 -10.262 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 132 -19.065 8.072 -13.375 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 132 -19.073 7.169 -13.759 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 132 -19.951 8.422 -13.572 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 133 -21.345 2.629 -9.753 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 133 -20.787 2.536 -8.964 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 133 -22.168 2.179 -9.512 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 134 -21.028 1.551 -15.422 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 134 -20.265 1.482 -16.021 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 134 -20.882 0.855 -14.765 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 135 -23.849 -1.207 -3.679 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 135 -23.479 -0.337 -3.488 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 135 -23.645 -1.731 -2.882 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 136 -20.346 -4.067 -2.019 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 136 -20.788 -4.838 -2.405 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 136 -20.031 -4.376 -1.158 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 137 -23.585 1.259 -8.124 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 137 -23.757 0.302 -8.091 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 137 -23.374 1.490 -7.203 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 138 -22.283 11.916 3.642 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 138 -22.551 11.012 3.406 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 138 -21.333 11.947 3.413 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 139 -23.402 0.847 0.115 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 139 -22.463 0.571 0.064 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 139 -23.769 0.580 -0.731 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 140 -20.050 -3.596 3.108 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 140 -20.929 -4.002 3.157 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 140 -19.643 -4.004 2.326 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 141 -25.163 2.911 -10.074 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 141 -24.713 2.320 -9.438 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 141 -25.535 2.316 -10.722 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 142 -19.245 -2.522 -13.858 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 142 -19.921 -2.800 -14.501 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 142 -18.933 -3.360 -13.462 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 143 -22.108 4.516 -0.145 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 143 -21.840 3.764 0.409 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 143 -21.288 5.053 -0.228 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 144 -19.273 -0.465 -8.005 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 144 -18.949 -0.707 -7.126 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 144 -18.556 -0.742 -8.609 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 145 -23.598 5.019 -8.539 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 145 -24.122 4.351 -9.022 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 145 -23.126 5.497 -9.234 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 146 -24.620 3.116 10.567 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 146 -24.772 3.024 9.609 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 146 -25.397 2.707 10.971 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 147 -22.475 8.883 3.204 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 147 -21.710 8.379 3.526 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 147 -22.958 8.254 2.641 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 148 -19.525 -5.310 0.658 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 148 -18.836 -5.597 0.047 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 148 -19.798 -6.131 1.116 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 149 -21.430 -2.598 -7.950 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 149 -20.846 -1.840 -8.111 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 149 -20.837 -3.366 -7.982 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 150 -23.465 7.168 -13.228 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 150 -23.378 6.545 -13.956 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 150 -24.431 7.234 -13.080 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 151 -23.925 -1.455 -6.738 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 151 -23.894 -1.490 -5.770 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 151 -23.145 -1.963 -7.025 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 152 -19.818 2.235 3.828 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 152 -19.623 2.398 2.888 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 152 -19.916 1.265 3.884 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 153 -19.396 -4.757 -7.924 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 153 -19.571 -4.982 -6.991 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 153 -19.909 -5.415 -8.428 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 154 -26.437 7.426 -12.574 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 154 -27.141 7.310 -13.238 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 154 -26.842 7.156 -11.748 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 155 -18.965 6.466 -3.151 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 155 -19.227 6.153 -2.262 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 155 -18.005 6.542 -3.098 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 156 -26.227 4.250 6.127 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 156 -25.814 3.587 6.704 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 156 -25.593 4.361 5.403 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 157 -20.662 3.116 -12.842 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 157 -20.881 2.714 -13.700 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 157 -20.645 2.364 -12.227 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 158 -26.365 -0.133 8.583 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 158 -27.201 -0.580 8.348 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 158 -25.676 -0.763 8.323 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 159 -21.651 3.106 6.139 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 159 -20.931 3.044 5.486 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 159 -22.221 3.812 5.801 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 160 -16.914 -1.131 -9.625 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 160 -16.196 -1.630 -10.046 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 160 -17.197 -0.496 -10.313 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 161 -20.442 -0.638 2.910 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 161 -20.455 -0.504 1.942 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 161 -20.162 -1.572 3.018 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 162 -22.426 -2.090 -1.224 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 162 -21.754 -2.705 -1.579 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 162 -21.895 -1.375 -0.808 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 163 -26.532 -2.646 3.244 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 163 -26.527 -3.601 3.092 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 163 -26.620 -2.262 2.360 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 164 -24.896 -1.862 5.649 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 164 -25.604 -2.032 4.995 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 164 -24.278 -1.274 5.177 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 165 -24.663 -9.818 2.019 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 165 -24.948 -9.584 1.115 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 165 -24.517 -10.773 1.977 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 166 -24.345 -3.117 0.809 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 166 -23.719 -2.710 0.173 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 166 -25.191 -2.681 0.619 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 167 -25.937 -5.717 2.794 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 167 -25.043 -5.364 2.742 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 167 -25.885 -6.392 3.492 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 168 -11.463 -5.448 -9.317 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 168 -10.665 -5.880 -8.959 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 168 -11.206 -5.156 -10.211 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 169 -14.374 -2.056 -11.022 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 169 -14.383 -2.501 -11.889 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 169 -14.260 -2.793 -10.383 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 170 -14.254 -4.405 -9.253 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 170 -13.480 -4.909 -9.563 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 170 -14.785 -5.058 -8.763 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 171 -23.500 6.336 1.859 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 171 -22.572 6.082 2.026 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 171 -23.715 5.893 1.027 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 172 -21.510 9.715 -3.013 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 172 -21.678 10.427 -3.647 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 172 -20.609 9.893 -2.688 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 173 -21.718 11.473 -5.626 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 173 -22.678 11.472 -5.788 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 173 -21.394 10.707 -6.131 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 174 -15.784 6.422 -2.908 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 174 -15.324 5.596 -3.066 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 174 -15.966 6.771 -3.802 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 175 -21.287 -8.678 -1.487 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 175 -21.423 -9.643 -1.484 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 175 -20.332 -8.577 -1.661 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 176 -22.286 -6.321 -3.001 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 176 -22.016 -7.184 -2.635 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 176 -23.004 -6.026 -2.405 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 177 -18.280 -8.976 -2.298 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 177 -18.062 -8.235 -2.904 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 177 -18.085 -9.767 -2.811 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 178 -21.096 -6.401 -9.918 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 178 -21.163 -7.377 -9.961 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 178 -20.538 -6.168 -10.664 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 179 -20.600 -5.561 -5.368 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 179 -21.357 -5.712 -5.962 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 179 -20.960 -5.723 -4.482 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 180 -28.577 6.715 -14.623 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 180 -28.732 5.967 -15.204 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 180 -29.299 7.318 -14.812 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 181 -24.853 -8.028 4.539 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 181 -24.697 -8.582 3.751 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 181 -25.641 -8.420 4.947 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 182 -20.544 4.997 14.437 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 182 -20.884 4.931 15.346 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 182 -21.195 4.507 13.902 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 183 -21.689 1.695 18.138 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 183 -21.068 0.995 17.882 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 183 -22.455 1.560 17.562 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 184 -19.682 8.601 14.491 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 184 -19.043 9.004 15.101 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 184 -20.384 8.258 15.075 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 185 -21.453 7.706 16.864 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 185 -21.916 6.860 16.796 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 185 -20.730 7.532 17.486 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 186 -17.923 -2.841 16.770 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 186 -17.118 -2.332 16.594 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 186 -17.951 -2.912 17.743 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 187 -19.794 7.878 11.622 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 187 -20.585 8.408 11.423 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 187 -19.607 8.080 12.563 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 188 -23.709 -6.642 11.374 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 188 -24.240 -6.566 12.187 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 188 -23.732 -5.750 10.988 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 189 -17.272 3.516 19.504 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 189 -16.358 3.787 19.683 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 189 -17.794 3.985 20.177 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 190 -26.774 1.030 11.357 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 190 -26.316 0.357 11.896 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 190 -26.657 0.715 10.437 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 191 -23.756 -1.808 8.421 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 191 -23.978 -1.977 7.486 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 191 -22.957 -1.255 8.378 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 192 -17.024 5.973 23.883 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 192 -16.661 5.076 23.814 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 192 -16.305 6.494 24.251 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 193 -22.612 3.091 13.181 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 193 -22.513 2.197 13.519 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 193 -23.562 3.189 13.036 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 194 -14.238 7.275 22.741 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 194 -15.028 7.351 22.179 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 194 -13.520 7.626 22.186 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 195 -26.393 7.116 7.218 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 195 -26.637 6.203 6.982 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 195 -26.573 7.623 6.420 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 196 -16.722 0.461 22.002 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 196 -15.858 0.109 21.740 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 196 -17.252 0.435 21.187 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 197 -20.120 -4.508 18.852 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 197 -20.950 -4.288 19.313 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 197 -19.454 -3.930 19.269 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 198 -19.623 -0.222 16.795 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 198 -19.274 0.210 15.993 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 198 -18.983 -0.932 16.975 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 199 -22.376 1.007 10.117 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 199 -22.998 1.745 10.231 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 199 -22.389 0.828 9.166 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 200 -20.650 0.660 12.514 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 200 -21.338 0.493 13.180 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 200 -21.150 0.827 11.689 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 201 -27.144 -1.931 0.261 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 201 -27.558 -2.818 0.245 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 201 -27.707 -1.397 -0.298 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 202 -18.747 5.367 21.420 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 202 -19.495 4.870 21.766 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 202 -18.280 5.685 22.219 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 203 -21.799 -4.122 12.678 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 203 -21.092 -3.456 12.590 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 203 -22.129 -4.235 11.768 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 204 -24.302 -4.893 5.495 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 204 -24.680 -4.028 5.698 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 204 -23.833 -4.756 4.653 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 205 -22.781 0.197 14.622 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 205 -23.196 0.766 15.297 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 205 -23.016 -0.703 14.896 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 206 -23.824 -2.852 14.727 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 206 -23.371 -3.397 14.066 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 206 -23.312 -2.989 15.541 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 207 -24.648 2.130 7.677 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 207 -23.907 1.679 7.249 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 207 -25.297 1.418 7.845 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 208 -16.016 2.544 16.847 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 208 -16.508 2.816 16.049 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 208 -16.548 2.885 17.581 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 209 -14.470 1.600 19.778 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 209 -14.481 2.564 19.821 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 209 -14.113 1.404 18.889 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 210 -18.231 0.606 14.230 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 210 -18.979 0.635 13.601 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 210 -17.979 1.542 14.340 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 211 -25.733 2.846 13.788 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 211 -26.021 3.694 13.391 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 211 -26.145 2.174 13.230 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 212 -24.340 2.105 16.502 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 212 -24.609 2.727 17.185 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 212 -24.808 2.410 15.703 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 213 -23.492 5.832 11.007 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 213 -24.271 6.387 11.140 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 213 -23.853 4.929 10.923 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 214 -21.501 4.634 17.408 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 214 -20.754 5.053 17.868 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 214 -21.593 3.766 17.840 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 215 -24.189 9.118 5.751 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 215 -23.505 8.890 6.407 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 215 -23.744 9.007 4.893 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 216 -29.195 -1.216 8.248 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 216 -29.965 -1.435 7.726 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 216 -29.470 -0.443 8.773 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 217 -21.375 -2.777 16.609 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 217 -20.959 -1.897 16.649 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 217 -21.393 -3.072 17.536 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 218 -18.859 -4.166 10.057 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 218 -18.932 -3.521 10.781 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 218 -17.997 -4.595 10.201 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 219 -20.690 -3.092 7.933 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 219 -20.218 -2.417 7.442 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 219 -20.030 -3.437 8.563 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 220 -25.305 -4.433 19.005 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 220 -26.008 -4.829 18.492 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 220 -24.516 -4.958 18.776 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 221 -22.858 -4.223 9.867 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 221 -22.277 -3.761 9.233 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 221 -23.669 -3.686 9.873 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 222 -29.542 1.242 10.059 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 222 -28.737 1.160 10.598 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 222 -29.768 2.170 10.109 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 223 -24.985 -6.994 14.055 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 223 -25.200 -7.245 14.970 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 223 -25.552 -6.226 13.875 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 224 -17.340 -3.907 22.285 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 224 -17.745 -3.452 23.045 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 224 -16.393 -3.687 22.349 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 225 -16.470 -0.349 17.560 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 225 -16.265 0.551 17.240 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 225 -15.706 -0.587 18.094 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 226 -16.058 6.771 14.406 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 226 -16.716 6.382 13.810 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 226 -15.886 7.642 14.033 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 227 -19.418 11.255 3.292 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 227 -18.912 10.691 3.896 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 227 -18.814 11.401 2.539 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 228 -20.241 7.269 4.743 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 228 -20.166 6.623 4.018 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 228 -19.422 7.799 4.681 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 229 -23.406 6.116 7.090 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 229 -23.394 5.699 6.213 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 229 -24.271 6.557 7.132 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 230 -25.798 -2.769 10.378 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 230 -25.730 -2.008 10.975 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 230 -25.395 -2.458 9.552 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 231 -18.589 0.747 19.626 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 231 -18.508 0.416 18.722 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 231 -18.380 1.695 19.551 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 232 -24.914 -0.936 12.669 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 232 -24.153 -0.393 12.922 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 232 -24.898 -1.675 13.309 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 233 -22.829 -5.897 18.058 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 233 -22.092 -6.462 18.358 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 233 -22.615 -5.697 17.132 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 234 -25.730 11.752 8.583 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 234 -26.297 12.518 8.683 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 234 -25.160 11.973 7.828 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 235 -14.377 10.539 11.441 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 235 -14.794 11.139 10.798 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 235 -14.960 9.764 11.459 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 236 -19.140 6.334 18.520 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 236 -18.263 6.487 18.126 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 236 -18.951 6.068 19.433 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 237 -18.143 5.565 12.536 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 237 -18.286 6.359 11.996 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 237 -18.936 5.522 13.107 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 238 -17.912 3.520 14.717 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 238 -17.493 3.981 13.974 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 238 -18.820 3.879 14.734 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 239 -17.268 -2.115 13.693 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 239 -17.364 -1.195 14.003 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 239 -16.345 -2.173 13.391 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 240 -13.093 3.642 16.981 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 240 -13.855 3.031 16.905 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 240 -12.313 3.055 16.939 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 241 -19.668 -2.090 12.017 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 241 -18.883 -2.076 12.600 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 241 -19.980 -1.164 12.017 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 242 -17.164 -6.793 21.404 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 242 -16.371 -6.675 20.846 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 242 -17.297 -5.919 21.812 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 243 -14.356 -3.368 22.018 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 243 -14.319 -2.409 21.850 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 243 -13.526 -3.560 22.463 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 244 -22.272 -5.918 15.059 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 244 -22.345 -5.397 14.240 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 244 -22.761 -6.737 14.863 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 245 -25.006 -7.859 8.846 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 245 -25.019 -8.835 8.944 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 245 -24.788 -7.532 9.735 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 246 -27.820 -4.870 0.548 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 246 -27.963 -5.649 0.012 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 246 -27.218 -5.171 1.255 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 247 -22.838 -4.723 2.863 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 247 -22.764 -5.566 2.373 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 247 -23.210 -4.097 2.209 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 248 -23.895 12.181 6.168 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 248 -24.086 11.231 6.066 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 248 -23.484 12.432 5.317 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 249 -15.962 3.294 22.703 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 249 -16.290 2.380 22.592 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 249 -15.433 3.454 21.908 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 250 -13.486 1.631 24.793 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 250 -12.779 1.814 24.153 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 250 -13.668 2.489 25.197 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 251 -18.864 -2.313 24.446 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 251 -18.115 -1.696 24.523 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 251 -18.974 -2.663 25.327 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 252 -18.545 -9.353 22.087 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 252 -18.249 -9.368 23.000 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 252 -18.271 -8.472 21.763 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 253 -17.524 -14.923 21.681 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 253 -18.329 -15.387 21.924 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 253 -17.037 -14.842 22.506 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 254 -15.005 14.467 -20.794 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 254 -15.781 14.116 -20.323 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 254 -14.481 13.687 -21.003 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 255 -14.087 17.268 -19.947 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 255 -14.891 17.788 -19.908 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 255 -14.364 16.426 -20.363 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 256 -17.539 15.640 -13.159 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 256 -16.909 15.810 -13.880 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 256 -17.230 14.803 -12.769 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 257 -15.163 14.022 -9.916 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 257 -14.845 14.317 -10.787 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 257 -15.894 13.421 -10.126 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 258 -14.476 15.018 -12.721 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 258 -14.121 14.795 -13.604 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 258 -13.814 15.629 -12.347 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 259 -12.581 14.056 -14.750 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 259 -12.666 13.092 -14.925 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 259 -11.772 14.306 -15.223 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 260 -20.725 14.347 -15.685 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 260 -20.776 15.270 -15.938 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 260 -19.774 14.188 -15.551 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 261 -14.101 19.309 -9.201 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 261 -13.857 19.652 -8.317 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 261 -15.073 19.195 -9.150 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 262 -16.968 18.416 -12.111 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 262 -16.249 18.575 -12.737 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 262 -17.310 17.537 -12.356 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 263 -11.168 17.216 -20.848 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 263 -12.082 17.211 -20.510 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 263 -11.223 17.706 -21.667 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 264 -13.990 11.972 -11.996 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 264 -13.848 11.529 -12.857 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 264 -13.962 12.916 -12.209 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 265 -16.962 11.603 -7.016 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 265 -17.481 11.661 -7.834 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 265 -16.454 12.435 -6.998 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 266 -19.752 13.212 -7.305 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 266 -20.350 12.951 -8.025 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 266 -20.097 12.746 -6.529 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 267 -16.209 10.261 -4.482 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 267 -16.495 10.696 -5.310 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 267 -15.273 10.521 -4.385 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 268 -15.131 13.911 -6.647 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 268 -15.740 14.074 -5.903 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 268 -15.371 14.582 -7.301 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 269 -13.443 14.281 3.245 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 269 -12.780 14.197 3.949 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 269 -13.516 13.389 2.882 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 270 -19.673 15.635 0.856 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 270 -20.143 14.855 0.553 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 270 -19.524 16.158 0.041 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 271 -16.203 14.607 0.866 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 271 -16.728 15.138 1.487 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 271 -15.445 15.171 0.655 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 272 -17.391 13.461 -1.783 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 272 -16.773 12.727 -1.628 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 272 -17.320 14.004 -0.980 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 273 -19.214 16.139 -6.585 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 273 -18.337 16.229 -7.012 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 273 -19.471 15.218 -6.778 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 274 -16.741 14.984 -4.312 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 274 -17.107 15.871 -4.220 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 274 -17.096 14.496 -3.546 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 275 -19.157 17.078 -1.743 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 275 -18.575 17.740 -2.146 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 275 -19.830 16.911 -2.423 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 276 -13.859 16.300 -8.352 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 276 -13.835 17.005 -9.014 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 276 -14.081 15.500 -8.862 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 277 -20.888 17.044 -4.326 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 277 -21.726 16.618 -4.507 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 277 -20.303 16.740 -5.051 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 278 -21.965 12.813 -13.299 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 278 -21.819 13.239 -14.162 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 278 -21.373 13.291 -12.697 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 279 -18.653 10.766 -2.771 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 279 -18.558 11.719 -2.633 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 279 -17.960 10.549 -3.425 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 280 -19.884 18.843 -7.995 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 280 -20.512 19.203 -7.372 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 280 -19.751 17.928 -7.700 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 281 -17.042 18.856 -9.117 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 281 -17.922 19.103 -8.784 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 281 -17.148 18.852 -10.088 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 282 -17.533 16.730 2.759 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 282 -17.394 17.571 2.316 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 282 -18.388 16.411 2.404 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 283 -14.936 19.984 -4.039 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 283 -15.714 20.189 -3.515 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 283 -14.188 20.130 -3.430 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 284 -18.031 18.756 -4.099 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 284 -18.847 18.578 -4.578 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 284 -17.332 18.645 -4.767 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 285 -13.080 20.028 -6.453 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 285 -12.218 20.218 -6.055 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 285 -13.707 20.102 -5.714 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 286 -16.950 15.848 -8.411 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 286 -16.773 16.794 -8.548 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 286 -16.378 15.401 -9.052 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 287 -15.803 17.725 -5.965 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 287 -15.214 17.134 -6.443 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 287 -15.206 18.315 -5.475 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 288 -17.438 11.777 1.157 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 288 -16.791 11.452 0.501 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 288 -17.248 12.728 1.221 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 289 -11.297 15.289 -7.237 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 289 -10.980 15.499 -8.127 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 289 -12.265 15.281 -7.324 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 290 -19.845 14.387 -11.636 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 290 -18.982 13.965 -11.516 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 290 -19.640 15.207 -12.105 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 291 -15.846 15.110 4.847 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 291 -16.424 15.639 4.270 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 291 -15.084 14.889 4.281 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 292 -18.443 11.274 -9.593 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 292 -18.623 11.143 -10.541 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 292 -19.236 11.723 -9.264 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 293 -17.601 8.515 1.667 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 293 -17.682 9.361 1.212 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 293 -17.914 7.863 1.024 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 294 -18.319 8.586 -7.968 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 294 -18.059 9.486 -8.222 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 294 -19.230 8.691 -7.626 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 295 -24.635 10.649 -6.390 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 295 -25.453 10.443 -5.937 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 295 -24.463 9.862 -6.942 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 296 -22.491 7.455 -10.276 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 296 -22.817 7.444 -11.193 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 296 -21.651 6.961 -10.318 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 297 -21.595 7.056 -4.514 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 297 -21.847 7.853 -4.009 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 297 -20.716 6.817 -4.152 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 298 -24.679 8.948 8.982 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 298 -25.042 9.832 8.776 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 298 -25.194 8.344 8.419 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 299 -25.447 8.048 11.818 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 299 -25.341 8.408 10.921 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 299 -24.740 8.462 12.323 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 300 -20.389 11.425 6.566 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 300 -20.899 11.527 5.753 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 300 -19.564 11.918 6.390 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 301 -21.124 12.052 10.619 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 301 -21.389 12.577 9.838 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 301 -21.319 12.624 11.365 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 302 -17.853 9.084 4.690 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 302 -17.062 9.538 5.024 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 302 -17.626 8.857 3.765 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 303 -17.816 10.163 16.398 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 303 -16.958 10.448 16.016 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 303 -18.325 10.973 16.461 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 304 -22.297 9.230 10.736 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 304 -22.059 10.174 10.735 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 304 -23.044 9.172 10.110 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 305 -22.110 0.326 7.137 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 305 -22.325 0.042 6.231 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 305 -21.653 1.181 7.013 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 306 -26.700 5.259 12.206 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 306 -27.609 5.410 11.945 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 306 -26.292 6.145 12.176 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 307 -21.458 8.669 7.095 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 307 -21.113 9.575 6.991 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 307 -21.090 8.186 6.327 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 308 0.166 -10.018 -20.104 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 308 -0.161 -10.553 -20.828 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 308 0.394 -9.161 -20.522 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 309 -7.141 -11.052 -18.745 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 309 -6.351 -10.516 -18.553 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 309 -7.355 -11.470 -17.897 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 310 -7.302 -14.177 -12.782 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 310 -7.011 -13.518 -12.127 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 310 -7.400 -14.995 -12.272 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 311 -9.630 -12.250 -12.903 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 311 -9.816 -11.874 -13.775 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 311 -8.853 -12.819 -13.048 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 312 -4.051 -5.604 -14.472 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 312 -3.458 -6.259 -14.046 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 312 -4.109 -4.879 -13.826 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 313 7.643 -13.779 -16.549 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 313 8.027 -13.243 -15.839 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 313 6.741 -13.968 -16.250 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 314 -1.243 -11.860 -11.741 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 314 -2.119 -12.199 -11.971 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 314 -0.927 -11.444 -12.565 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 315 -7.664 -12.084 -15.872 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 315 -7.286 -11.426 -15.259 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 315 -7.034 -12.828 -15.841 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 316 -6.951 -9.936 -13.777 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 316 -7.666 -9.330 -13.516 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 316 -6.816 -10.493 -12.995 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 317 -11.412 -4.119 -11.907 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 317 -10.751 -3.715 -12.499 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 317 -12.262 -3.945 -12.348 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 318 -8.858 -9.361 -9.534 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 318 -9.316 -10.207 -9.498 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 318 -7.962 -9.558 -9.198 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 319 -5.534 -14.028 -15.251 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 319 -4.949 -13.325 -14.920 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 319 -6.009 -14.338 -14.454 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 320 -1.650 -9.777 -17.509 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 320 -1.464 -8.936 -17.046 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 320 -1.005 -9.796 -18.234 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 321 0.382 -13.744 -13.728 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 321 0.886 -14.042 -14.503 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 321 0.411 -12.775 -13.786 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 322 -3.698 -15.339 -17.238 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 322 -4.539 -15.114 -16.804 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 322 -3.271 -14.476 -17.386 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 323 -0.716 -10.607 -14.457 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 323 -0.761 -10.771 -15.409 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 323 0.230 -10.411 -14.290 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 324 -4.285 -7.896 -20.375 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 324 -3.501 -7.593 -20.854 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 324 -4.906 -7.147 -20.439 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 325 -1.547 -6.839 -16.607 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 325 -1.577 -6.105 -17.234 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 325 -2.406 -6.807 -16.162 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 326 -4.688 -9.534 -17.789 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 326 -3.730 -9.686 -17.722 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 326 -4.776 -8.918 -18.540 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 327 1.543 -9.841 -17.405 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 327 1.181 -9.817 -18.310 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 327 1.896 -8.942 -17.266 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 328 0.582 -12.609 -16.631 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 328 1.104 -11.812 -16.823 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 328 1.240 -13.319 -16.563 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 329 -10.106 -10.461 -15.345 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 329 -10.033 -9.629 -15.862 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 329 -9.436 -11.044 -15.743 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 330 -9.119 -3.265 -13.588 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 330 -8.399 -3.574 -13.009 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 330 -8.663 -2.954 -14.391 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 331 -9.644 -8.135 -17.085 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 331 -8.765 -7.755 -17.257 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 331 -9.899 -8.529 -17.943 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 332 -4.771 -6.325 -17.183 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 332 -5.591 -6.820 -17.336 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 332 -4.735 -6.209 -16.213 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 333 -1.212 -13.875 -2.911 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 333 -1.891 -13.578 -3.549 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 333 -1.325 -14.830 -2.878 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 334 -10.733 -16.326 -2.938 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 334 -10.234 -16.864 -2.306 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 334 -11.522 -16.061 -2.457 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 335 -12.347 -14.938 -6.376 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 335 -12.908 -15.186 -5.631 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 335 -11.714 -15.668 -6.451 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 336 -5.510 -11.294 -2.836 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 336 -4.975 -11.055 -2.043 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 336 -6.085 -10.517 -2.977 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 337 -0.829 -19.775 -5.568 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 337 -1.787 -19.728 -5.742 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 337 -0.424 -19.519 -6.418 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 338 -3.495 -12.079 -13.778 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 338 -2.865 -12.238 -14.507 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 338 -3.620 -11.107 -13.788 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 339 -7.491 -18.875 -5.303 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 339 -7.100 -18.775 -6.182 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 339 -6.918 -18.334 -4.720 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 340 -4.436 -15.827 -6.716 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 340 -4.165 -16.015 -5.805 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 340 -4.338 -14.863 -6.799 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 341 -12.085 -9.898 -10.644 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 341 -12.810 -9.900 -11.290 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 341 -12.281 -9.133 -10.071 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 342 -2.471 -16.750 -14.798 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 342 -2.682 -16.361 -15.671 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 342 -2.777 -17.661 -14.864 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 343 5.019 -19.924 -0.231 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 343 5.551 -20.715 -0.141 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 343 4.125 -20.258 -0.447 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 344 -1.637 -15.355 0.046 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 344 -2.467 -15.216 0.542 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 344 -1.469 -16.308 0.127 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 345 -9.825 -16.730 -5.804 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 345 -9.273 -17.511 -5.652 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 345 -10.081 -16.443 -4.904 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 346 -5.826 -17.186 -3.381 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 346 -5.091 -17.624 -2.929 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 346 -5.748 -16.260 -3.125 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 347 -5.987 -14.990 -9.335 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 347 -5.553 -15.343 -8.548 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 347 -5.519 -14.139 -9.500 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 348 -10.799 -16.262 2.992 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 348 -10.331 -15.407 2.926 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 348 -11.253 -16.350 2.146 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 349 -6.898 -14.042 -5.841 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 349 -6.093 -13.681 -6.267 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 349 -7.609 -13.825 -6.463 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 350 2.114 -20.537 -0.811 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 350 1.432 -20.921 -0.229 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 350 1.626 -20.267 -1.607 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 351 -1.249 -18.312 0.626 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 351 -1.425 -17.962 1.524 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 351 -2.062 -18.801 0.404 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 352 -1.328 -15.066 -11.540 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 352 -0.904 -14.603 -12.287 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 352 -2.271 -15.091 -11.780 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 353 -3.901 -19.804 0.748 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 353 -4.793 -19.458 0.582 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 353 -3.983 -20.761 0.605 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 354 -3.677 -18.597 -9.523 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 354 -3.732 -18.631 -10.494 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 354 -4.600 -18.510 -9.237 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 355 -1.220 -15.111 -6.004 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 355 -1.735 -15.590 -5.331 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 355 -1.689 -15.295 -6.841 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 356 -2.795 -22.458 -0.435 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 356 -2.375 -22.221 -1.283 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 356 -2.544 -23.371 -0.293 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 357 -2.059 -16.111 -8.804 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 357 -1.806 -15.732 -9.663 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 357 -2.773 -16.736 -9.018 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 358 -9.690 -19.991 -3.537 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 358 -8.993 -19.652 -4.129 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 358 -9.958 -20.817 -3.936 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 359 -1.453 -21.312 -2.943 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 359 -1.528 -21.397 -3.906 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 359 -0.683 -20.732 -2.819 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 360 -4.744 -17.837 -12.335 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 360 -5.699 -17.747 -12.160 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 360 -4.455 -16.932 -12.533 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 361 -2.763 -17.019 -4.335 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 361 -2.836 -17.499 -3.492 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 361 -3.006 -17.683 -5.008 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 362 0.376 -16.866 -13.649 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 362 0.495 -15.909 -13.545 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 362 -0.496 -16.950 -14.069 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 363 -11.534 -18.295 0.511 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 363 -12.034 -18.761 1.203 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 363 -12.070 -17.510 0.320 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 364 -1.644 -13.036 2.947 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 364 -1.385 -12.603 3.788 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 364 -2.441 -12.534 2.658 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 365 -4.131 -9.211 -14.727 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 365 -4.313 -9.198 -15.676 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 365 -5.007 -9.171 -14.314 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 366 -6.804 -14.019 -2.895 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 366 -6.358 -13.153 -2.850 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 366 -6.912 -14.182 -3.854 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 367 -8.843 -16.011 -8.574 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 367 -9.263 -16.154 -7.705 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 367 -8.408 -15.152 -8.492 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 368 -6.323 -10.322 -8.215 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 368 -5.679 -11.052 -8.343 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 368 -6.008 -9.865 -7.432 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 369 -3.645 -19.196 -6.488 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 369 -3.339 -19.064 -7.406 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 369 -4.606 -19.164 -6.554 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 370 -0.273 -21.174 1.026 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 370 -1.119 -21.552 0.754 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 370 -0.465 -20.236 1.172 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 371 -3.701 -13.133 -4.514 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 371 -3.996 -12.876 -5.412 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 371 -4.190 -12.534 -3.924 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 372 -10.477 -12.283 -10.037 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 372 -10.145 -12.474 -10.938 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 372 -11.122 -11.560 -10.175 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 373 -8.269 -12.741 -8.121 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 373 -8.961 -12.725 -8.809 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 373 -7.597 -12.117 -8.446 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 374 -7.385 -16.881 -11.176 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 374 -6.909 -16.336 -10.515 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 374 -8.268 -16.979 -10.803 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 375 -6.480 -11.626 -11.240 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 375 -6.058 -10.747 -11.332 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 375 -5.855 -12.121 -10.669 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 376 -6.297 -17.905 -7.973 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 376 -5.792 -17.173 -7.568 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 376 -7.075 -17.470 -8.365 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 377 -6.580 -14.854 -0.049 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 377 -7.516 -14.860 0.234 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 377 -6.615 -14.536 -0.974 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 378 -3.967 -14.939 -12.770 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 378 -3.958 -14.002 -13.036 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 378 -3.554 -15.405 -13.521 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 379 -4.152 -14.682 1.610 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 379 -4.132 -13.731 1.835 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 379 -5.005 -14.797 1.143 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 380 -2.930 -17.188 2.771 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 380 -3.677 -17.813 2.838 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 380 -3.343 -16.359 2.458 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 381 -3.320 -18.894 -2.104 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 381 -2.786 -19.664 -2.357 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 381 -3.587 -19.078 -1.190 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 382 -6.142 -17.943 -0.190 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 382 -7.006 -18.140 -0.596 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 382 -6.089 -16.973 -0.205 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 383 3.130 -11.021 4.215 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 383 3.548 -10.223 3.845 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 383 3.861 -11.478 4.684 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 384 4.720 -13.970 -15.468 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 384 5.091 -14.015 -14.572 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 384 4.565 -13.017 -15.616 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 385 -2.449 -12.595 -16.698 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 385 -1.507 -12.849 -16.749 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 385 -2.460 -11.672 -17.010 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 386 0.601 -14.220 -9.561 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 386 -0.136 -14.414 -10.169 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 386 1.384 -14.219 -10.126 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 387 -9.057 -18.245 -1.126 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 387 -9.169 -18.870 -1.871 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 387 -9.772 -18.490 -0.502 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 388 1.292 -14.442 0.482 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 388 0.357 -14.671 0.351 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 388 1.769 -15.252 0.233 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 389 1.499 -17.428 -0.113 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 389 0.576 -17.613 0.152 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 389 1.832 -18.287 -0.419 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 390 3.541 -14.785 -9.241 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 390 3.046 -15.628 -9.285 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 390 4.384 -15.031 -8.820 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 391 0.602 -18.982 -3.015 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 391 0.197 -19.140 -3.889 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 391 1.092 -18.149 -3.129 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 392 2.173 -16.330 -2.818 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 392 1.743 -16.406 -1.956 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 392 3.120 -16.322 -2.608 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 393 -10.686 -17.411 9.862 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 393 -11.036 -17.110 9.017 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 393 -10.376 -16.605 10.293 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 394 -12.588 -15.395 0.359 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 394 -13.500 -15.465 0.695 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 394 -12.588 -14.577 -0.175 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 395 -12.637 -9.840 -5.676 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 395 -13.462 -9.779 -6.170 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 395 -12.197 -10.626 -6.043 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 396 -15.306 -6.312 -11.819 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 396 -15.088 -7.259 -11.760 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 396 -15.785 -6.124 -10.992 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 397 -7.744 -13.756 11.791 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 397 -7.969 -12.863 11.480 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 397 -7.916 -14.325 11.028 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 398 -11.363 -12.548 14.278 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 398 -11.609 -12.352 15.196 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 398 -10.613 -13.160 14.362 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 399 -1.343 -11.460 14.058 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 399 -0.945 -12.330 13.894 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 399 -2.181 -11.662 14.521 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 400 -5.885 -17.993 2.946 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 400 -6.723 -18.018 3.452 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 400 -6.163 -18.058 2.022 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 401 -15.299 -12.821 13.540 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 401 -15.139 -13.036 14.479 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 401 -15.752 -13.609 13.193 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 402 -6.881 -8.053 17.047 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 402 -6.189 -8.658 17.367 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 402 -6.764 -7.251 17.589 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 403 -9.105 -14.551 9.066 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 403 -8.564 -13.811 8.748 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 403 -9.371 -15.016 8.258 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 404 -6.851 -9.117 14.224 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 404 -6.691 -8.650 15.068 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 404 -7.102 -10.022 14.499 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 405 -11.077 -14.568 11.410 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 405 -10.434 -14.280 10.739 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 405 -10.777 -14.151 12.223 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 406 -2.897 -9.796 12.237 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 406 -2.350 -10.343 12.835 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 406 -2.931 -8.923 12.676 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 407 -9.730 -15.417 6.132 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 407 -8.809 -15.247 5.846 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 407 -10.212 -14.593 5.887 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 408 -4.544 -15.846 4.894 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 408 -5.070 -16.490 4.392 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 408 -3.639 -16.006 4.603 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 409 0.304 -12.420 8.382 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 409 0.227 -11.501 8.696 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 409 0.210 -12.354 7.426 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 410 -9.274 -10.613 6.239 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 410 -9.711 -10.115 6.968 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 410 -9.935 -11.292 5.981 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 411 -8.904 -14.394 14.521 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 411 -8.800 -15.311 14.777 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 411 -8.401 -14.317 13.687 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 412 -3.967 -11.696 15.696 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 412 -3.548 -11.377 16.506 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 412 -4.878 -11.864 15.949 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 413 -8.362 -11.373 18.537 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 413 -7.772 -11.119 19.263 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 413 -8.756 -10.527 18.240 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 414 -4.280 -11.961 7.405 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 414 -5.169 -12.329 7.504 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 414 -3.946 -12.356 6.599 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 415 -11.108 -12.542 17.421 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 415 -11.442 -13.233 18.020 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 415 -10.210 -12.364 17.740 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 416 -8.480 -17.669 4.405 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 416 -8.630 -17.295 5.279 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 416 -9.208 -17.310 3.865 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 417 -12.724 -9.991 16.770 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 417 -13.682 -9.886 16.899 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 417 -12.529 -10.880 17.108 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 418 -2.515 -9.212 21.421 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 418 -2.600 -9.013 22.370 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 418 -3.067 -8.544 20.986 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 419 -12.319 -10.975 20.183 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 419 -12.304 -11.903 19.902 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 419 -12.717 -11.005 21.078 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 420 1.391 -16.701 5.748 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 420 1.506 -17.502 5.232 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 420 0.868 -16.119 5.170 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 421 -9.686 -13.462 2.989 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 421 -9.361 -12.683 2.510 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 421 -10.103 -13.095 3.790 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 422 -5.088 -4.580 21.378 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 422 -4.278 -4.057 21.499 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 422 -5.801 -3.959 21.583 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 423 -16.100 -13.518 19.391 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 423 -16.339 -12.593 19.559 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 423 -16.511 -14.012 20.123 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 424 -7.321 -12.418 7.807 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 424 -7.946 -11.822 7.355 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 424 -7.166 -13.133 7.159 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 425 -7.786 -11.666 15.506 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 425 -8.146 -12.524 15.224 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 425 -7.885 -11.671 16.473 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 426 -13.263 -10.897 12.589 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 426 -14.165 -11.255 12.669 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 426 -12.735 -11.460 13.189 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 427 0.554 -11.628 16.435 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 427 0.193 -11.215 15.635 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 427 0.643 -12.555 16.202 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 428 -1.881 -10.525 17.950 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 428 -0.990 -10.689 17.589 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 428 -1.949 -11.136 18.701 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 429 -8.535 -11.188 10.254 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 429 -7.845 -11.466 9.628 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 429 -9.089 -10.566 9.735 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 430 -2.891 -12.098 20.467 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 430 -2.780 -11.195 20.816 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 430 -2.545 -12.662 21.157 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 431 -3.062 -8.804 24.365 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 431 -2.527 -8.858 25.157 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 431 -3.821 -9.399 24.547 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 432 -1.152 -11.472 5.497 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 432 -0.404 -10.890 5.700 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 432 -1.935 -10.941 5.729 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 433 -12.348 -11.536 8.946 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 433 -12.214 -12.156 8.206 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 433 -11.704 -10.819 8.773 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 434 -9.514 -15.324 -0.013 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 434 -10.458 -15.173 0.149 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 434 -9.444 -16.281 -0.148 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 435 -3.028 -7.262 13.725 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 435 -3.094 -7.397 14.687 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 435 -3.366 -6.352 13.591 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 436 -14.108 -6.449 22.182 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 436 -13.340 -6.023 22.611 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 436 -14.482 -5.750 21.609 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 437 -9.583 -10.401 21.439 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 437 -8.774 -10.153 20.963 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 437 -10.260 -10.466 20.749 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 438 -9.761 -13.369 22.073 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 438 -9.684 -12.408 21.929 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 438 -9.321 -13.518 22.909 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 439 -4.735 -9.672 18.398 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 439 -3.856 -10.082 18.378 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 439 -4.581 -8.798 18.813 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 440 -7.206 -11.726 4.525 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 440 -7.631 -11.570 3.664 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 440 -7.773 -11.243 5.157 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 441 -7.013 -14.449 5.622 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 441 -7.018 -13.669 5.034 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 441 -6.161 -14.890 5.426 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 442 2.887 -13.804 3.065 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 442 2.847 -12.862 3.306 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 442 2.493 -13.842 2.179 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 443 -6.583 -10.147 20.740 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 443 -6.054 -10.731 21.291 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 443 -5.987 -9.900 20.012 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 444 -0.435 -8.173 14.990 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 444 0.436 -8.533 14.736 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 444 -0.801 -7.825 14.169 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 445 2.278 -9.210 14.375 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 445 2.738 -8.872 13.586 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 445 2.928 -9.125 15.084 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 446 0.023 -15.498 3.297 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 446 -0.778 -14.949 3.363 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 446 0.606 -14.995 2.720 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 447 0.382 -13.999 13.625 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 447 1.210 -13.610 13.320 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 447 0.231 -14.740 13.019 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 448 0.834 -6.525 17.218 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 448 0.426 -7.270 16.748 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 448 1.055 -5.890 16.507 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 449 4.042 -15.123 6.085 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 449 3.216 -15.379 5.641 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 449 4.247 -14.240 5.724 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 450 -17.760 -11.338 14.497 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 450 -18.155 -12.225 14.546 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 450 -16.858 -11.499 14.172 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 451 -15.635 -13.917 16.370 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 451 -16.481 -14.357 16.232 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 451 -15.566 -13.826 17.336 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 452 -4.258 -7.109 19.938 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 452 -3.502 -6.501 19.870 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 452 -5.011 -6.525 20.140 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 453 -3.218 -4.831 17.473 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 453 -2.675 -4.869 18.278 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 453 -3.258 -5.755 17.169 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 454 -8.138 -10.168 24.069 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 454 -8.756 -9.606 24.560 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 454 -8.542 -10.251 23.188 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 455 -9.990 -8.119 25.461 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 455 -9.745 -7.367 24.905 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 455 -9.433 -8.019 26.256 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 456 -11.931 -14.055 19.986 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 456 -12.609 -14.565 20.432 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 456 -11.212 -13.983 20.645 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 457 -5.391 -10.554 25.201 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 457 -5.644 -11.002 26.007 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 457 -6.244 -10.366 24.755 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 458 -9.765 -9.105 17.272 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 458 -9.249 -8.751 16.540 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 458 -10.620 -9.356 16.871 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 459 -7.775 -7.570 27.491 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 459 -7.767 -7.529 28.446 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 459 -7.244 -6.800 27.212 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 460 -6.394 -5.097 26.286 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 460 -6.304 -4.148 26.192 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 460 -5.744 -5.463 25.655 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 461 -12.003 -10.335 25.821 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 461 -11.418 -9.576 25.637 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 461 -11.686 -10.677 26.659 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 462 -0.948 -1.727 -22.707 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 462 -0.212 -2.271 -22.383 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 462 -1.724 -2.310 -22.631 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 463 -5.870 6.019 -21.453 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 463 -5.517 6.932 -21.440 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 463 -5.072 5.456 -21.498 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 464 -12.909 -1.747 -19.102 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 464 -12.887 -0.872 -18.650 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 464 -11.975 -1.947 -19.277 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 465 -10.028 -0.365 -24.062 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 465 -10.446 0.074 -23.298 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 465 -9.567 -1.123 -23.676 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 466 -2.080 1.077 -22.680 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 466 -1.695 0.188 -22.803 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 466 -1.605 1.437 -21.917 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 467 1.087 -3.678 -21.567 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 467 1.506 -4.272 -20.915 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 467 1.526 -2.819 -21.422 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 468 -10.488 0.609 -21.242 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 468 -10.773 0.613 -20.305 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 468 -9.529 0.404 -21.194 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 469 -3.393 -3.398 -22.249 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 469 -3.652 -2.527 -21.898 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 469 -4.220 -3.765 -22.607 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 470 -14.174 -0.760 -15.469 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 470 -13.885 -0.194 -16.208 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 470 -15.010 -0.365 -15.178 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 471 -16.204 -2.997 -16.522 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 471 -15.817 -2.329 -15.936 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 471 -15.433 -3.518 -16.828 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 472 -9.278 0.792 -31.619 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 472 -8.417 0.806 -32.037 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 472 -9.093 0.887 -30.684 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 473 -2.044 -6.033 -21.581 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 473 -2.177 -5.731 -20.658 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 473 -2.336 -5.280 -22.117 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 474 -11.167 -1.617 -16.371 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 474 -11.640 -0.845 -16.747 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 474 -10.416 -1.745 -16.969 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 475 -14.428 2.488 -15.783 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 475 -13.827 2.746 -15.062 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 475 -13.860 1.975 -16.396 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 476 -2.814 -4.943 -18.935 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 476 -3.226 -4.074 -19.072 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 476 -3.495 -5.458 -18.453 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 477 -12.254 -6.830 -16.359 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 477 -11.392 -7.130 -16.698 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 477 -12.038 -6.065 -15.801 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 478 -3.477 1.134 -25.361 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 478 -3.039 1.011 -24.499 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 478 -3.221 2.017 -25.629 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 479 -0.629 2.078 -20.252 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 479 -0.581 2.930 -20.729 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 479 -1.509 2.093 -19.825 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 480 -10.821 3.611 -21.147 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 480 -9.859 3.722 -21.014 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 480 -10.937 2.648 -21.233 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 481 -8.260 6.404 -23.422 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 481 -8.113 7.344 -23.194 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 481 -7.436 5.970 -23.157 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 482 -6.090 -4.223 -23.448 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 482 -6.735 -3.585 -23.077 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 482 -6.253 -4.200 -24.391 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 483 5.153 5.404 -15.279 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 483 5.138 4.424 -15.232 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 483 5.137 5.687 -14.335 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 484 -7.838 3.844 -21.028 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 484 -7.296 4.617 -21.278 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 484 -7.333 3.086 -21.362 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 485 -11.617 -4.220 -15.028 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 485 -10.761 -4.262 -14.572 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 485 -11.623 -3.331 -15.435 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 486 -5.699 -3.286 -13.582 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 486 -5.934 -2.345 -13.497 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 486 -6.044 -3.690 -12.767 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 487 -7.949 1.829 -24.763 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 487 -8.703 1.210 -24.704 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 487 -8.365 2.706 -24.782 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 488 -5.977 -0.485 -24.346 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 488 -6.627 0.156 -24.690 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 488 -5.134 -0.204 -24.740 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 489 -4.400 -0.631 -21.513 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 489 -5.119 -0.458 -22.140 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 489 -3.884 0.196 -21.514 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 490 -5.082 -2.838 -19.557 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 490 -5.825 -2.411 -19.072 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 490 -4.817 -2.166 -20.211 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 491 -15.166 -1.209 -20.962 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 491 -14.473 -1.438 -20.310 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 491 -14.684 -1.072 -21.777 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 492 -13.637 -4.206 -17.454 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 492 -13.243 -3.544 -18.044 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 492 -12.886 -4.580 -16.976 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 493 1.770 7.223 -19.659 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 493 0.829 7.259 -19.359 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 493 1.964 6.271 -19.713 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 494 -4.474 8.649 -21.523 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 494 -3.621 8.783 -21.965 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 494 -4.568 9.429 -20.941 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 495 -5.882 1.921 -22.205 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 495 -6.259 1.798 -23.088 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 495 -6.399 1.312 -21.634 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 496 -7.507 9.045 -22.186 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 496 -7.896 9.500 -21.418 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 496 -6.548 9.078 -22.024 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 497 -9.469 0.566 -14.914 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 497 -8.638 0.156 -14.602 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 497 -9.759 -0.001 -15.641 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 498 -7.851 -2.005 -22.489 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 498 -7.274 -1.496 -23.090 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 498 -7.874 -1.462 -21.669 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 499 1.478 8.958 -22.140 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 499 0.528 9.021 -22.345 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 499 1.509 8.479 -21.293 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 500 -13.749 6.804 -18.062 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 500 -13.917 5.930 -18.450 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 500 -12.984 7.143 -18.554 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 501 -9.127 -4.574 -17.294 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 501 -8.725 -3.858 -16.770 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 501 -9.594 -4.113 -18.004 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 502 -4.799 -2.922 -16.409 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 502 -5.017 -3.665 -16.979 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 502 -5.046 -3.228 -15.513 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 503 -3.209 -4.187 -11.860 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 503 -3.557 -3.278 -11.961 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 503 -2.397 -4.077 -11.351 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 504 -17.190 13.026 -19.070 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 504 -18.017 12.608 -18.789 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 504 -16.672 13.104 -18.251 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 505 -19.340 11.689 -17.264 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 505 -20.284 11.753 -17.097 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 505 -18.941 12.284 -16.604 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 506 3.793 6.711 -22.325 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 506 3.539 6.685 -23.262 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 506 3.294 7.456 -21.964 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 507 -3.276 4.527 -21.249 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 507 -2.622 5.163 -20.893 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 507 -2.770 3.989 -21.863 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 508 4.677 -5.293 -23.505 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 508 3.743 -5.388 -23.755 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 508 4.653 -5.101 -22.554 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 509 1.987 1.448 -19.177 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 509 1.230 1.886 -19.615 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 509 1.568 0.739 -18.644 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 510 1.601 -5.174 -24.103 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 510 1.398 -4.633 -23.318 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 510 1.267 -4.659 -24.838 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 511 -17.416 0.680 -12.050 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 511 -16.701 1.330 -11.932 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 511 -17.301 0.363 -12.964 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 512 -9.930 -2.146 -19.220 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 512 -10.171 -1.215 -19.052 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 512 -8.957 -2.121 -19.319 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 513 -15.012 2.556 -11.807 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 513 -14.250 3.000 -12.219 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 513 -14.637 2.112 -11.024 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 514 2.034 7.515 -24.833 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 514 1.693 7.934 -24.027 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 514 1.710 8.068 -25.542 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 515 0.143 -4.557 -14.621 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 515 -0.504 -4.851 -13.973 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 515 1.011 -4.818 -14.226 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 516 -2.210 9.987 -19.522 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 516 -1.804 9.192 -19.121 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 516 -1.579 10.701 -19.328 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 517 -7.414 -6.850 -18.504 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 517 -7.927 -6.094 -18.168 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 517 -6.971 -6.503 -19.299 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 518 -9.614 -9.561 -19.752 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 518 -8.807 -9.975 -19.391 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 518 -9.661 -9.884 -20.649 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 519 -5.967 -5.411 -20.681 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 519 -6.053 -5.190 -21.624 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 519 -5.640 -4.586 -20.271 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 520 -17.753 9.737 -21.226 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 520 -17.768 8.923 -20.687 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 520 -18.675 9.964 -21.336 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 521 -9.534 -8.854 -12.612 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 521 -9.714 -9.293 -11.767 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 521 -10.004 -9.390 -13.265 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 522 -7.946 -2.098 -16.117 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 522 -7.592 -1.697 -16.939 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 522 -7.501 -1.603 -15.395 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 523 0.596 9.910 -10.699 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 523 0.712 9.267 -11.424 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 523 1.367 9.745 -10.115 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 524 -7.576 8.121 13.038 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 524 -7.790 8.581 12.207 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 524 -8.434 8.060 13.504 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 525 1.407 5.607 16.726 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 525 1.174 5.450 15.791 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 525 0.550 5.738 17.161 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 526 -7.898 9.750 23.692 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 526 -7.378 9.118 24.221 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 526 -8.734 9.290 23.521 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 527 -12.144 8.148 17.586 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 527 -12.776 8.333 16.859 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 527 -11.839 7.247 17.410 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 528 3.839 3.867 16.716 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 528 3.159 4.554 16.830 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 528 3.400 3.048 17.021 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 529 -10.801 5.519 16.407 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 529 -11.765 5.371 16.441 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 529 -10.421 4.630 16.592 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 530 -6.225 0.471 20.860 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 530 -6.404 -0.367 21.336 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 530 -6.728 0.384 20.037 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 531 1.970 14.148 20.707 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 531 2.319 13.393 21.209 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 531 1.683 13.761 19.864 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 532 -10.048 4.228 21.697 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 532 -9.458 3.464 21.603 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 532 -9.864 4.557 22.595 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 533 3.771 7.042 17.952 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 533 3.991 7.384 17.066 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 533 2.977 6.501 17.808 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 534 2.683 9.602 19.170 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 534 3.007 8.761 18.802 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 534 1.917 9.338 19.721 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 535 -11.755 5.045 19.372 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 535 -11.263 4.544 20.048 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 535 -11.961 4.388 18.686 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 536 1.272 -5.248 19.864 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 536 1.100 -5.778 19.053 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 536 1.829 -5.818 20.402 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 537 -10.331 7.141 25.459 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 537 -10.578 7.604 24.638 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 537 -10.250 7.841 26.109 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 538 -0.929 5.672 21.103 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 538 -1.686 5.816 20.509 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 538 -0.848 4.705 21.160 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 539 -11.539 1.481 22.462 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 539 -11.474 2.371 22.092 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 539 -10.638 1.294 22.790 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 540 -3.386 0.949 21.543 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 540 -3.430 0.396 22.354 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 540 -4.227 0.766 21.083 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 541 -3.360 -0.360 24.209 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 541 -3.087 0.208 24.952 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 541 -2.974 -1.232 24.426 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 542 -1.700 -2.690 25.150 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 542 -1.629 -3.656 25.255 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 542 -0.783 -2.400 24.970 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 543 -6.743 -2.189 22.210 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 543 -7.282 -2.208 21.401 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 543 -7.391 -2.301 22.935 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 544 1.037 7.902 20.963 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 544 0.326 7.282 21.204 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 544 1.832 7.530 21.388 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 545 2.054 1.536 17.377 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 545 1.583 1.431 18.219 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 545 1.736 0.800 16.831 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 546 -1.820 -5.097 20.136 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 546 -2.076 -4.422 20.789 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 546 -0.851 -5.067 20.129 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 547 -10.726 8.817 22.903 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 547 -11.134 8.387 22.125 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 547 -10.935 9.749 22.791 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 548 -12.232 7.834 20.535 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 548 -12.050 6.935 20.209 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 548 -12.343 8.360 19.722 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 549 -3.136 10.360 20.860 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 549 -2.189 10.465 20.690 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 549 -3.190 9.616 21.480 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 550 -1.738 13.780 20.342 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 550 -1.505 14.611 20.757 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 550 -2.701 13.701 20.484 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 551 -1.763 -5.738 24.726 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 551 -2.728 -5.840 24.780 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 551 -1.487 -6.431 24.123 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 552 -14.560 4.635 20.312 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 552 -15.003 5.502 20.392 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 552 -13.671 4.854 19.976 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 553 -12.512 11.502 16.716 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 553 -11.648 11.284 17.071 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 553 -12.398 11.429 15.751 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 554 -5.405 9.906 18.983 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 554 -4.542 10.110 19.391 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 554 -6.050 10.323 19.581 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 555 -3.451 8.752 16.888 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 555 -4.058 9.070 17.576 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 555 -2.703 8.366 17.388 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 556 -0.044 8.647 15.801 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 556 0.008 8.075 15.007 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 556 -0.453 8.077 16.477 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 557 -11.568 -5.328 23.245 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 557 -11.390 -4.374 23.188 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 557 -10.719 -5.712 23.511 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 558 -4.731 -6.231 24.017 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 558 -4.390 -7.126 23.863 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 558 -4.969 -5.909 23.130 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 559 1.923 12.420 18.163 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 559 2.154 11.503 18.407 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 559 1.157 12.320 17.578 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 560 -4.063 3.277 25.048 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 560 -4.883 2.783 24.865 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 560 -3.641 2.780 25.769 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 561 -3.938 3.882 21.884 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 561 -3.857 3.790 22.851 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 561 -3.899 2.970 21.556 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 562 -2.447 1.105 26.742 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 562 -2.257 0.402 27.368 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 562 -1.587 1.554 26.613 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 563 2.941 9.760 23.651 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 563 2.598 10.289 24.388 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 563 3.041 10.402 22.926 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 564 -0.940 -0.761 20.978 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 564 -1.700 -0.165 20.862 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 564 -0.166 -0.194 20.810 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 565 -2.646 -2.911 22.135 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 565 -2.416 -2.929 23.076 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 565 -2.102 -2.185 21.771 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 566 -15.792 0.894 27.215 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 566 -14.844 0.694 27.313 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 566 -16.113 0.949 28.114 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 567 -10.389 -0.775 25.870 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 567 -11.304 -0.958 25.610 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 567 -10.438 0.075 26.347 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 568 -13.283 -1.368 25.032 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 568 -13.405 -0.398 24.963 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 568 -14.182 -1.722 24.955 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 569 -8.645 4.850 24.357 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 569 -7.799 5.113 23.950 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 569 -8.942 5.646 24.828 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 570 -5.928 1.154 23.882 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 570 -6.040 1.129 22.917 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 570 -5.200 0.528 24.055 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 571 -1.452 4.647 24.214 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 571 -1.552 5.543 23.875 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 571 -2.306 4.453 24.641 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 572 -10.562 1.803 27.363 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 572 -10.914 2.525 26.801 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 572 -9.736 2.152 27.705 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 573 -0.971 2.710 21.866 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 573 -1.119 3.164 22.717 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 573 -1.802 2.227 21.703 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 574 6.265 5.001 19.038 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 574 5.432 4.813 19.507 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 574 6.928 4.458 19.502 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 575 -8.680 1.939 23.229 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 575 -8.674 2.799 23.689 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 575 -7.858 1.508 23.524 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 576 -5.925 7.677 24.774 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 576 -5.189 8.068 24.281 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 576 -6.031 6.796 24.382 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 577 -9.197 9.655 19.450 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 577 -9.432 9.964 18.560 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 577 -9.263 8.683 19.390 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 578 -13.784 -0.404 21.860 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 578 -13.101 0.049 22.383 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 578 -13.903 0.173 21.080 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 579 -11.362 4.121 25.659 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 579 -10.812 4.916 25.613 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 579 -12.224 4.407 25.303 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 580 -12.946 -0.107 27.923 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 580 -12.185 0.495 27.862 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 580 -12.733 -0.825 27.318 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 581 -4.179 7.790 22.121 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 581 -5.047 7.983 21.721 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 581 -3.711 7.286 21.434 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 582 3.607 7.126 22.342 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 582 4.513 7.330 22.035 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 582 3.349 7.913 22.860 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 583 -6.312 5.503 22.701 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 583 -5.537 5.053 22.322 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 583 -6.471 6.254 22.097 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 584 -3.549 6.079 19.687 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 584 -4.286 6.115 19.056 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 584 -3.708 5.263 20.192 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 585 -11.428 -2.365 22.827 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 585 -11.555 -1.922 21.958 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 585 -12.021 -1.884 23.430 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 586 1.281 1.241 20.515 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 586 2.164 1.422 20.843 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 586 0.719 1.911 20.954 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 587 -13.987 4.805 24.478 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 587 -14.644 4.295 23.976 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 587 -13.947 5.664 24.018 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 588 1.441 -2.971 17.679 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 588 1.408 -3.612 18.404 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 588 1.457 -3.521 16.875 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 589 1.550 -2.490 21.062 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 589 0.757 -1.972 20.848 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 589 1.337 -3.390 20.769 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 590 -8.647 -5.695 24.125 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 590 -7.934 -5.820 24.769 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 590 -8.734 -4.726 24.057 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 591 -16.280 -0.781 24.720 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 591 -16.307 -0.229 23.919 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 591 -16.167 -0.140 25.451 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 592 -8.844 -2.692 24.216 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 592 -9.011 -2.129 24.997 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 592 -9.648 -2.576 23.670 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 593 -7.176 11.214 21.115 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 593 -8.016 10.973 20.681 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 593 -7.282 10.898 22.034 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 594 -12.683 13.047 -18.273 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 594 -13.181 12.465 -18.868 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 594 -11.756 12.932 -18.548 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 595 -10.410 10.233 -17.488 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 595 -11.039 10.575 -16.815 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 595 -10.325 9.289 -17.272 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 596 -11.911 10.568 -20.441 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 596 -11.495 9.892 -19.874 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 596 -12.779 10.723 -20.031 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 597 0.793 9.500 -16.807 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 597 1.708 9.172 -16.832 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 597 0.279 8.817 -17.296 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 598 -5.451 12.420 -17.303 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 598 -5.365 13.258 -17.786 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 598 -6.125 12.606 -16.630 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 599 -13.316 15.894 -17.329 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 599 -13.114 14.980 -17.607 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 599 -13.546 16.349 -18.155 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 600 -7.455 14.335 -16.359 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 600 -8.342 13.932 -16.243 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 600 -7.511 15.176 -15.883 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 601 -9.237 16.227 -18.741 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 601 -9.936 16.567 -19.337 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 601 -8.413 16.425 -19.212 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 602 -3.953 17.078 -12.690 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 602 -4.765 17.228 -12.183 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 602 -4.203 16.412 -13.347 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 603 -6.895 17.094 -20.572 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 603 -6.538 17.889 -20.124 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 603 -6.707 17.242 -21.499 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 604 -5.677 11.058 -20.114 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 604 -5.447 11.498 -19.287 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 604 -6.635 10.904 -20.041 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 605 0.218 11.700 -18.862 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 605 0.426 11.070 -18.148 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 605 1.065 11.873 -19.279 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 606 -14.516 18.580 -14.117 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 606 -14.519 19.444 -14.535 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 606 -13.855 18.663 -13.402 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 607 -14.737 11.356 -19.901 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 607 -15.673 11.542 -19.731 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 607 -14.744 10.834 -20.724 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 608 -6.677 17.385 -11.198 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 608 -6.285 17.984 -10.541 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 608 -6.891 16.586 -10.693 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 609 -15.754 16.175 -15.546 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 609 -14.984 15.889 -16.071 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 609 -15.425 16.945 -15.046 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 610 -7.940 18.087 -7.564 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 610 -6.996 18.166 -7.790 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 610 -8.011 17.215 -7.141 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 611 -10.681 16.593 -15.951 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 611 -10.377 16.408 -16.859 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 611 -11.650 16.564 -16.017 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 612 -8.599 10.479 -19.779 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 612 -8.972 11.263 -20.209 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 612 -9.077 10.431 -18.923 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 613 -6.774 19.684 -16.095 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 613 -6.880 18.734 -15.923 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 613 -7.483 20.096 -15.597 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 614 -2.006 11.430 -14.738 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 614 -1.704 12.136 -15.338 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 614 -1.206 10.918 -14.554 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 615 -17.644 7.120 -19.594 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 615 -17.836 6.185 -19.498 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 615 -16.939 7.288 -18.957 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 616 -12.602 19.351 -11.906 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 616 -12.040 20.144 -11.938 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 616 -13.088 19.436 -11.061 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 617 -12.297 16.424 -11.236 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 617 -11.488 16.308 -10.697 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 617 -12.282 17.367 -11.486 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 618 -7.836 17.034 -15.207 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 618 -8.086 17.666 -14.508 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 618 -8.675 16.862 -15.680 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 619 -5.706 19.393 -18.953 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 619 -6.099 19.485 -18.065 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 619 -4.988 20.024 -18.959 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 620 -4.728 14.600 -14.376 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 620 -4.961 13.679 -14.614 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 620 -3.778 14.660 -14.576 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 621 -5.640 15.096 -18.663 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 621 -6.357 14.997 -18.007 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 621 -6.048 15.594 -19.389 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 622 -3.378 12.254 -12.136 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 622 -4.234 12.048 -12.571 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 622 -2.735 12.210 -12.860 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 623 6.433 9.655 -15.501 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 623 6.658 9.053 -16.233 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 623 5.567 9.354 -15.202 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 624 -9.853 13.269 -19.350 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 624 -9.559 14.184 -19.212 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 624 -9.894 13.172 -20.313 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 625 -4.467 9.710 -17.520 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 625 -3.954 9.831 -18.340 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 625 -4.913 10.569 -17.386 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 626 -3.030 15.581 -17.112 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 626 -3.778 15.361 -17.695 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 626 -3.224 16.469 -16.807 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 627 -0.771 13.566 -16.641 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 627 -0.516 13.119 -17.463 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 627 -1.406 14.251 -16.924 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 628 -15.031 9.805 -22.558 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 628 -15.968 9.795 -22.278 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 628 -14.901 8.957 -22.975 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 629 -9.988 12.084 -22.210 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 629 -9.803 11.595 -23.010 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 629 -10.695 11.572 -21.771 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 630 -1.301 17.875 -13.971 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 630 -2.211 17.867 -13.623 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 630 -0.749 18.055 -13.192 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 631 -0.980 19.226 -5.246 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 631 -1.196 19.547 -4.361 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 631 -0.766 18.285 -5.113 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 632 -2.284 18.465 -2.379 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 632 -3.040 18.716 -2.938 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 632 -1.872 17.727 -2.857 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 633 -12.908 17.358 -1.928 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 633 -13.090 17.198 -0.987 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 633 -13.206 16.545 -2.372 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 634 -9.773 16.169 -9.749 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 634 -9.825 16.996 -9.235 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 634 -8.910 15.782 -9.497 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 635 -11.616 17.400 -5.041 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 635 -12.342 17.148 -4.452 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 635 -11.605 16.698 -5.717 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 636 0.203 15.324 -1.588 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 636 -0.279 14.475 -1.518 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 636 0.332 15.599 -0.678 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 637 -4.119 13.111 -2.266 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 637 -3.377 12.494 -2.235 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 637 -4.902 12.550 -2.163 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 638 -0.397 13.262 -6.759 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 638 -0.620 13.341 -5.812 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 638 -1.123 12.724 -7.131 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 639 4.198 16.188 4.449 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 639 3.278 16.227 4.755 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 639 4.406 15.245 4.443 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 640 -2.656 17.951 0.604 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 640 -2.504 18.246 -0.314 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 640 -3.222 17.171 0.507 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 641 -2.943 20.075 -7.387 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 641 -2.805 21.018 -7.515 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 641 -2.437 19.867 -6.572 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 642 -5.159 18.468 -8.713 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 642 -4.708 17.609 -8.816 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 642 -4.463 19.066 -8.382 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 643 3.762 18.211 2.290 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 643 3.025 17.656 1.979 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 643 4.133 17.711 3.040 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 644 -2.813 15.306 -6.599 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 644 -3.539 14.844 -6.123 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 644 -2.068 14.686 -6.552 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 645 -4.375 18.686 -4.646 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 645 -4.922 17.997 -4.225 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 645 -4.505 18.550 -5.586 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 646 -15.044 12.670 9.262 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 646 -15.682 12.203 8.698 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 646 -15.205 13.613 9.069 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 647 -0.743 8.629 -14.352 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 647 -0.272 8.825 -15.179 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 647 -0.041 8.360 -13.734 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 648 -7.121 15.155 -9.007 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 648 -6.758 14.908 -8.132 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 648 -6.371 15.034 -9.620 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 649 -0.564 19.009 2.454 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 649 -1.273 18.886 1.787 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 649 0.029 19.674 2.057 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 650 -2.872 11.738 -6.850 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 650 -2.858 10.856 -6.416 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 650 -3.413 12.292 -6.243 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 651 -3.687 15.485 2.559 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 651 -3.670 14.883 1.795 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 651 -3.932 14.915 3.307 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 652 -0.905 16.368 -4.196 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 652 -0.426 15.981 -3.437 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 652 -1.528 15.668 -4.461 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 653 3.141 14.033 1.299 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 653 3.342 14.266 0.371 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 653 2.498 14.702 1.576 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 654 -8.534 15.531 -6.070 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 654 -9.421 15.209 -6.311 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 654 -7.948 14.762 -6.218 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 655 -5.571 14.282 -11.417 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 655 -5.951 13.461 -11.784 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 655 -5.004 14.620 -12.131 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 656 -8.984 18.415 -12.853 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 656 -9.457 19.084 -12.342 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 656 -8.201 18.204 -12.299 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 657 -1.713 15.234 -11.106 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 657 -1.811 15.022 -12.056 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 657 -1.165 16.038 -11.100 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 658 -0.094 17.786 -11.092 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 658 -0.684 17.963 -10.343 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 658 0.773 17.652 -10.685 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 659 -9.989 19.865 -5.902 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 659 -9.191 19.491 -6.300 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 659 -10.375 19.128 -5.401 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 660 -15.917 15.305 7.976 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 660 -16.705 15.843 8.074 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 660 -15.765 15.277 7.016 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 661 -8.633 14.020 5.168 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 661 -9.449 13.494 5.083 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 661 -8.918 14.931 4.996 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 662 3.441 13.533 -11.240 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 662 2.476 13.413 -11.297 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 662 3.665 14.048 -12.030 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 663 -5.783 17.240 3.855 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 663 -5.351 17.952 4.357 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 663 -5.116 16.975 3.196 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 664 -10.622 21.706 -11.661 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 664 -10.670 22.535 -11.181 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 664 -9.920 21.207 -11.207 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 665 -8.740 17.616 -3.885 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 665 -8.620 17.018 -4.645 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 665 -9.694 17.726 -3.823 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 666 -8.810 19.875 -10.047 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 666 -8.047 19.646 -9.505 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 666 -9.565 19.487 -9.571 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 667 -4.210 15.904 -1.141 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 667 -4.806 16.511 -1.597 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 667 -4.130 15.148 -1.755 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 668 -3.021 13.537 0.440 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 668 -3.566 14.115 -0.131 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 668 -2.390 13.120 -0.182 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 669 4.909 18.074 -5.574 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 669 5.585 18.747 -5.485 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 669 4.760 18.006 -6.537 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 670 -17.900 13.087 5.888 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 670 -17.195 13.622 5.493 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 670 -17.429 12.433 6.431 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 671 -11.168 18.570 -8.521 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 671 -12.137 18.622 -8.514 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 671 -10.904 18.985 -7.684 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 672 -8.796 17.085 4.516 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 672 -7.852 17.147 4.273 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 672 -9.246 17.626 3.863 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 673 -4.092 15.659 -9.230 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 673 -3.416 15.629 -9.937 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 673 -3.593 15.483 -8.413 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 674 -6.027 16.377 -3.536 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 674 -6.143 15.485 -3.879 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 674 -6.929 16.753 -3.526 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 675 -6.109 13.858 3.537 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 675 -6.050 14.818 3.634 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 675 -6.992 13.635 3.892 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 676 -13.504 16.289 0.913 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 676 -13.196 15.552 0.353 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 676 -13.430 15.946 1.816 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 677 -4.154 11.763 2.625 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 677 -3.646 12.066 1.849 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 677 -4.958 12.323 2.617 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 678 -6.784 10.207 5.047 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 678 -7.377 10.210 5.822 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 678 -7.348 10.524 4.313 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 679 1.469 16.805 -8.455 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 679 0.556 17.038 -8.222 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 679 1.506 15.838 -8.341 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 680 -12.135 20.168 -2.802 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 680 -11.191 20.248 -2.930 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 680 -12.266 19.237 -2.537 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 681 -1.646 14.786 -14.060 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 681 -1.474 15.739 -14.161 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 681 -1.220 14.383 -14.842 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 682 -1.550 17.454 -8.323 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 682 -1.937 16.834 -7.676 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 682 -1.898 18.321 -8.058 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 683 -1.826 13.537 -4.220 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 683 -2.803 13.423 -4.286 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 683 -1.531 12.785 -3.665 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 684 1.908 20.586 1.653 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 684 2.549 19.914 1.943 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 684 2.439 21.364 1.489 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 685 -11.365 9.992 5.926 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 685 -11.312 9.142 5.440 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 685 -11.923 9.799 6.687 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 686 -0.165 13.759 1.359 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 686 -0.035 13.120 0.641 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 686 -1.127 13.808 1.459 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 687 3.425 9.478 -14.699 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 687 3.436 9.077 -15.586 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 687 3.359 10.438 -14.871 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 688 -2.209 12.830 -9.521 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 688 -1.930 13.745 -9.681 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 688 -2.549 12.532 -10.389 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 689 0.141 10.375 13.083 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 689 -0.598 10.351 13.703 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 689 0.398 9.433 12.982 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 690 -12.451 10.908 13.710 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 690 -12.990 10.838 12.900 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 690 -11.575 11.204 13.392 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 691 -4.161 19.464 5.390 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 691 -4.365 20.402 5.422 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 691 -3.183 19.431 5.416 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 692 -0.387 11.112 19.772 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 692 -0.631 11.949 20.211 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 692 -0.563 11.285 18.828 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 693 1.066 18.900 7.598 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 693 1.349 19.271 8.441 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 693 0.754 18.019 7.821 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 694 -1.499 6.059 16.055 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 694 -2.256 5.459 16.005 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 694 -0.975 5.848 15.251 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 695 -9.991 7.602 14.537 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 695 -10.228 6.954 15.226 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 695 -10.709 7.519 13.876 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 696 -4.639 17.089 7.300 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 696 -5.585 16.938 7.466 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 696 -4.614 17.912 6.784 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 697 -9.897 9.881 16.438 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 697 -9.741 9.463 15.574 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 697 -10.702 9.442 16.770 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 698 -1.106 8.287 18.713 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 698 -0.913 9.175 19.055 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 698 -0.508 7.713 19.203 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 699 -11.314 12.776 4.817 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 699 -11.390 12.413 3.915 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 699 -11.376 11.994 5.390 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 700 -15.189 11.085 15.320 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 700 -14.530 11.091 16.038 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 700 -14.670 11.230 14.524 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 701 -16.907 10.858 7.703 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 701 -17.600 10.448 8.251 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 701 -16.124 10.298 7.847 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 702 -4.955 8.485 11.487 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 702 -4.072 8.089 11.499 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 702 -4.794 9.433 11.445 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 703 -6.122 11.379 9.487 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 703 -7.018 11.326 9.848 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 703 -6.195 12.032 8.771 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 704 -2.853 9.895 14.185 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 704 -3.233 10.794 14.130 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 704 -2.876 9.685 15.139 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 705 -3.627 14.798 5.556 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 705 -4.012 15.531 6.069 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 705 -2.766 14.641 5.977 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 706 -9.752 11.584 12.522 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 706 -9.295 10.815 12.157 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 706 -9.649 12.265 11.845 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 707 -1.624 16.860 4.315 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 707 -1.368 17.693 3.879 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 707 -2.350 16.517 3.765 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 708 -1.547 16.613 7.378 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 708 -2.450 16.800 7.691 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 708 -1.563 16.879 6.440 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 709 1.148 15.837 4.933 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 709 1.288 15.828 3.977 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 709 0.211 16.076 5.032 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 710 -1.575 10.151 10.622 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 710 -0.963 10.349 11.355 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 710 -1.431 9.222 10.441 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 711 -6.457 13.576 7.230 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 711 -6.581 14.458 7.615 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 711 -7.250 13.449 6.677 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 712 -3.305 12.416 9.675 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 712 -4.257 12.273 9.801 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 712 -2.896 11.597 10.001 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 713 -8.746 10.271 7.316 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 713 -8.588 9.316 7.473 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 713 -9.615 10.299 6.881 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 714 -3.393 12.832 14.627 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 714 -2.524 13.174 14.352 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 714 -3.661 13.413 15.338 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 715 -19.351 9.877 9.205 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 715 -19.772 10.239 8.412 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 715 -19.698 10.426 9.927 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 716 -13.458 8.312 14.921 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 716 -13.207 9.155 14.509 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 716 -13.529 7.697 14.183 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 717 -7.695 16.516 7.404 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 717 -8.169 16.661 6.567 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 717 -8.367 16.639 8.081 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 718 -9.248 6.685 18.911 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 718 -9.801 6.098 19.448 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 718 -9.483 6.463 17.999 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 719 -6.985 7.760 20.790 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 719 -7.302 8.642 20.547 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 719 -7.360 7.177 20.109 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 720 1.227 16.454 1.800 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 720 0.656 15.676 1.664 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 720 0.602 17.187 1.937 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 721 -1.093 19.801 5.547 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 721 -0.634 19.718 4.700 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 721 -0.407 19.615 6.212 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 722 5.086 10.438 27.749 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 722 5.645 10.942 28.346 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 722 5.008 9.575 28.166 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 723 3.153 9.560 -1.985 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 723 2.512 10.255 -2.163 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 723 3.392 9.217 -2.866 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 724 -0.679 13.641 10.603 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 724 -1.245 12.867 10.663 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 724 0.110 13.405 11.126 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 725 0.660 15.943 9.313 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 725 -0.110 16.164 8.759 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 725 0.343 15.205 9.873 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 726 -0.453 13.340 14.212 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 726 0.357 13.710 14.597 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 726 -0.152 12.920 13.392 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 727 2.441 13.453 15.050 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 727 3.062 13.757 15.735 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 727 2.321 12.505 15.242 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 728 -16.500 7.548 17.417 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 728 -16.894 8.398 17.138 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 728 -16.118 7.183 16.596 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 729 5.104 11.390 15.932 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 729 4.537 10.612 15.784 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 729 4.483 12.101 16.128 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 730 -22.244 13.735 8.289 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 730 -21.637 14.146 7.669 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 730 -22.824 13.189 7.729 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 731 -16.278 7.110 20.422 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 731 -17.209 6.935 20.615 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 731 -16.274 7.395 19.485 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 732 2.221 10.524 15.738 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 732 2.330 10.525 14.768 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 732 1.552 9.835 15.902 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 733 -6.849 9.643 16.277 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 733 -6.496 9.801 17.171 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 733 -7.787 9.891 16.343 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 734 -12.093 12.161 9.801 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 734 -12.445 11.655 10.543 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 734 -12.881 12.548 9.385 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 735 -2.580 7.241 12.961 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 735 -2.507 8.166 13.258 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 735 -1.658 6.903 13.025 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 736 -9.100 12.333 9.498 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 736 -8.926 11.710 8.772 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 736 -10.073 12.400 9.527 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 737 -1.302 13.475 7.339 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 737 -1.758 13.180 8.147 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 737 -0.900 14.317 7.587 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 738 -4.646 13.009 21.001 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 738 -5.570 12.749 21.114 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 738 -4.169 12.164 20.936 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 739 -0.812 11.453 16.720 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 739 -0.669 10.548 16.395 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 739 -0.898 11.984 15.917 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 740 2.902 11.822 25.970 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 740 3.481 11.493 26.672 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 740 2.011 11.758 26.351 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 741 10.475 -6.615 -16.844 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 741 10.509 -5.942 -16.146 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 741 9.656 -6.417 -17.327 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 742 11.394 -9.473 -17.006 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 742 12.336 -9.494 -17.172 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 742 11.167 -8.518 -17.029 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 743 3.965 -11.047 -16.031 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 743 3.282 -10.603 -16.562 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 743 3.580 -11.077 -15.125 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 744 7.483 -6.923 -18.183 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 744 6.789 -6.466 -17.680 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 744 7.526 -7.804 -17.787 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 745 7.425 -12.296 -19.325 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 745 7.576 -12.717 -18.459 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 745 6.598 -12.666 -19.625 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 746 8.406 -9.880 -17.707 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 746 9.378 -9.888 -17.678 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 746 8.184 -10.474 -18.447 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 747 6.406 -9.262 -15.516 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 747 7.033 -9.379 -16.247 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 747 5.609 -9.743 -15.803 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 748 -0.319 -18.528 -8.253 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 748 -0.928 -17.768 -8.303 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 748 -0.084 -18.703 -9.184 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 749 2.050 -15.217 -15.875 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 749 2.969 -14.920 -15.715 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 749 2.071 -16.162 -15.700 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 750 8.010 -10.891 -10.523 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 750 7.275 -10.758 -11.152 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 750 8.787 -10.565 -11.000 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 751 5.337 -12.643 -10.362 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 751 4.709 -13.374 -10.224 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 751 5.016 -12.207 -11.171 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 752 5.816 -4.553 -17.168 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 752 5.282 -4.654 -16.354 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 752 5.562 -3.677 -17.513 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 753 10.246 -4.296 -14.829 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 753 9.472 -4.349 -14.250 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 753 9.922 -3.822 -15.614 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 754 7.695 -17.126 -0.523 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 754 7.886 -17.637 -1.320 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 754 8.207 -16.300 -0.646 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 755 5.558 -17.280 -4.206 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 755 6.513 -17.122 -4.088 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 755 5.189 -17.172 -3.315 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 756 12.868 -10.757 -1.439 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 756 12.949 -9.792 -1.551 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 756 13.708 -11.016 -1.013 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 757 13.215 -15.841 1.182 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 757 12.499 -16.300 1.655 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 757 13.899 -16.510 1.085 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 758 3.876 -17.979 1.834 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 758 4.337 -18.646 1.299 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 758 3.147 -17.684 1.270 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 759 8.499 -13.919 -10.749 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 759 8.327 -12.980 -10.566 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 759 8.001 -14.094 -11.565 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 760 8.531 -16.836 -3.501 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 760 9.021 -17.114 -4.303 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 760 9.091 -16.148 -3.112 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 761 8.546 -16.151 -8.720 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 761 7.606 -16.040 -8.508 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 761 8.690 -15.566 -9.492 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 762 8.769 -11.278 -4.943 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 762 9.211 -10.945 -4.144 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 762 8.023 -11.785 -4.607 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 763 5.777 -15.869 -7.461 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 763 6.034 -15.632 -6.547 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 763 5.478 -16.792 -7.392 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 764 12.857 -12.366 3.676 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 764 13.499 -11.992 4.295 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 764 12.643 -11.629 3.076 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 765 9.796 -8.547 -11.213 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 765 10.561 -8.975 -10.780 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 765 9.968 -8.656 -12.163 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 766 9.243 -14.629 -1.129 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 766 9.358 -14.243 -2.013 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 766 9.955 -14.224 -0.600 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 767 14.471 -18.574 7.175 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 767 13.991 -18.375 6.345 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 767 13.782 -18.826 7.790 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 768 14.394 -18.801 1.934 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 768 14.711 -19.532 1.405 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 768 15.189 -18.253 2.091 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 769 1.030 -18.103 -10.970 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 769 0.617 -17.696 -11.756 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 769 1.948 -18.220 -11.222 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 770 2.528 -17.414 -8.261 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 770 3.131 -18.029 -7.810 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 770 1.693 -17.908 -8.337 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 771 10.526 -14.145 4.132 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 771 10.392 -13.865 5.053 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 771 11.308 -13.630 3.840 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 772 9.974 -16.989 -6.123 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 772 10.380 -16.108 -6.113 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 772 9.509 -17.027 -6.977 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 773 4.703 -17.044 -1.267 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 773 5.505 -16.679 -0.866 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 773 4.741 -17.994 -1.048 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 774 14.584 -15.488 7.809 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 774 13.830 -15.760 8.369 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 774 14.976 -16.320 7.522 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 775 15.628 -10.553 3.610 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 775 16.266 -9.888 3.882 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 775 15.534 -11.129 4.396 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 776 10.102 -14.033 -7.019 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 776 9.681 -14.542 -7.734 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 776 10.142 -13.127 -7.364 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 777 8.367 -11.534 -14.412 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 777 9.203 -11.092 -14.194 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 777 7.796 -10.816 -14.735 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 778 6.503 -13.536 -13.084 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 778 5.735 -12.945 -12.956 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 778 7.175 -12.968 -13.505 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 779 10.602 -8.355 0.083 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 779 10.132 -7.668 -0.424 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 779 11.525 -8.277 -0.225 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 780 12.116 -10.280 1.698 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 780 11.437 -9.912 1.099 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 780 12.848 -10.526 1.104 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 781 16.131 -8.103 0.905 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 781 15.329 -8.049 1.454 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 781 16.837 -7.786 1.485 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 782 6.923 -12.909 -7.841 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 782 6.567 -12.602 -8.699 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 782 6.431 -13.718 -7.659 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 783 6.204 -9.776 -12.579 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 783 5.398 -10.315 -12.744 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 783 6.380 -9.346 -13.440 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 784 11.759 -10.168 -9.592 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 784 11.046 -10.567 -9.059 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 784 12.578 -10.523 -9.197 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 785 12.872 -7.488 -8.573 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 785 13.683 -7.630 -8.063 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 785 12.591 -8.384 -8.828 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 786 3.281 -8.155 -13.117 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 786 3.118 -7.354 -13.649 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 786 2.877 -8.878 -13.629 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 787 13.542 -7.615 2.528 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 787 13.000 -8.411 2.396 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 787 13.819 -7.668 3.463 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 788 8.166 -7.197 -13.645 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 788 7.955 -7.138 -12.704 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 788 7.920 -6.333 -13.998 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 789 5.301 -15.580 2.998 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 789 4.626 -14.940 3.288 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 789 4.786 -16.378 2.765 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 790 16.409 -16.619 2.622 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 790 16.771 -17.005 3.441 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 790 15.794 -15.930 2.934 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 791 15.026 -12.375 5.946 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 791 15.077 -13.308 5.672 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 791 14.504 -12.394 6.761 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 792 16.903 -17.882 5.380 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 792 17.670 -18.053 5.923 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 792 16.150 -18.137 5.940 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 793 11.606 -13.383 0.349 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 793 12.133 -12.786 -0.188 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 793 12.220 -14.113 0.570 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 794 7.922 -17.050 2.486 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 794 7.024 -17.015 2.847 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 794 7.802 -17.372 1.572 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 795 5.130 -7.722 -10.747 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 795 5.497 -8.372 -11.376 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 795 4.278 -7.472 -11.146 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 796 7.042 -14.350 -5.057 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 796 7.645 -14.723 -4.401 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 796 7.626 -13.953 -5.720 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 797 4.839 -18.784 -6.755 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 797 5.471 -19.501 -6.840 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 797 5.011 -18.416 -5.866 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 798 15.330 -5.096 1.973 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 798 16.105 -5.510 2.375 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 798 14.735 -5.836 1.784 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 799 9.011 -8.589 -2.822 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 799 8.121 -8.344 -2.530 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 799 9.541 -7.779 -2.678 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 800 15.023 -10.947 0.626 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 800 15.170 -11.156 1.567 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 800 15.605 -10.185 0.457 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 801 10.033 -14.049 -3.971 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 801 10.191 -13.989 -4.929 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 801 10.215 -13.153 -3.644 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 802 10.370 -9.246 -14.115 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 802 9.695 -8.552 -14.231 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 802 10.762 -9.347 -14.996 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 803 13.270 -5.219 10.511 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 803 12.891 -6.108 10.336 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 803 13.574 -5.268 11.431 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 804 1.275 -9.766 6.334 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 804 1.819 -10.034 5.575 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 804 1.853 -9.908 7.100 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 805 12.219 -7.890 9.748 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 805 11.355 -7.948 10.184 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 805 12.330 -8.757 9.312 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 806 1.483 -16.171 11.482 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 806 1.500 -17.084 11.765 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 806 1.751 -16.207 10.540 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 807 -2.737 -7.731 16.812 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 807 -1.876 -7.745 16.351 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 807 -2.790 -8.603 17.230 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 808 14.275 -5.165 13.524 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 808 14.374 -4.905 14.446 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 808 15.114 -4.901 13.108 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 809 3.332 -10.938 8.428 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 809 2.607 -11.119 9.044 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 809 3.938 -11.692 8.545 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 810 14.638 -8.102 5.332 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 810 14.677 -7.689 6.216 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 810 13.926 -8.760 5.409 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 811 12.950 -10.059 7.829 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 811 12.480 -9.895 6.995 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 811 12.882 -11.020 7.960 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 812 13.103 -17.950 4.572 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 812 12.225 -17.728 4.215 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 812 13.558 -18.383 3.827 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 813 7.143 -15.255 5.593 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 813 6.220 -15.552 5.645 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 813 7.081 -14.280 5.598 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 814 9.304 -14.870 10.365 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 814 9.021 -15.333 9.566 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 814 8.958 -13.967 10.253 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 815 8.600 -9.518 9.467 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 815 8.991 -8.868 10.072 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 815 7.923 -9.012 8.982 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 816 9.903 -12.908 6.830 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 816 9.265 -12.471 6.220 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 816 9.529 -12.743 7.716 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 817 7.996 -12.425 9.095 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 817 8.061 -11.459 9.248 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 817 7.043 -12.588 8.992 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 818 9.615 -7.437 11.393 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 818 9.475 -6.507 11.640 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 818 9.466 -7.924 12.208 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 819 14.600 -6.815 8.032 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 819 14.018 -7.333 8.613 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 819 14.573 -5.923 8.403 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 820 6.475 -6.947 12.973 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 820 5.942 -6.171 13.214 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 820 7.362 -6.589 12.830 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 821 2.480 -16.075 8.594 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 821 1.792 -16.325 7.954 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 821 3.231 -15.823 8.040 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 822 10.867 -16.868 2.914 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 822 9.972 -17.218 2.767 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 822 10.714 -15.982 3.295 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 823 5.194 -13.381 8.367 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 823 5.248 -13.188 7.409 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 823 4.794 -14.253 8.407 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 824 14.382 -15.008 4.283 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 824 13.835 -15.768 4.524 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 824 13.762 -14.385 3.872 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 825 12.769 -13.083 8.004 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 825 13.270 -13.918 7.970 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 825 11.872 -13.330 7.741 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 826 9.496 -15.957 7.286 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 826 8.677 -16.126 6.783 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 826 9.700 -15.028 7.095 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 827 11.928 -16.148 9.166 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 827 11.228 -16.313 8.510 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 827 11.470 -15.698 9.895 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 828 1.911 -13.152 10.930 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 828 1.377 -13.056 10.122 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 828 1.921 -14.110 11.093 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 829 4.587 -7.478 15.349 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 829 3.976 -7.050 14.730 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 829 5.397 -7.610 14.830 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 830 10.161 1.231 19.352 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 830 10.032 1.607 18.462 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 830 9.867 0.314 19.268 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 831 3.573 -7.536 12.159 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 831 4.532 -7.478 12.282 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 831 3.467 -7.655 11.201 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 832 4.094 -8.046 9.160 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 832 3.986 -8.982 8.927 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 832 3.632 -7.571 8.454 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 833 5.446 -1.591 -17.961 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 833 5.855 -0.777 -17.602 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 833 5.225 -1.365 -18.865 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 834 7.897 5.050 -16.710 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 834 7.013 5.083 -16.297 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 834 7.826 4.331 -17.366 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 835 7.640 -6.170 -24.190 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 835 6.677 -6.139 -24.078 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 835 7.972 -6.450 -23.321 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 836 6.727 -3.206 -24.692 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 836 7.432 -3.867 -24.790 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 836 5.918 -3.735 -24.601 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 837 7.773 -1.894 -15.651 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 837 7.386 -1.088 -16.042 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 837 8.678 -1.626 -15.391 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 838 11.213 6.109 -18.298 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 838 10.316 6.434 -18.208 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 838 11.105 5.165 -18.518 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 839 6.762 -1.875 -21.851 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 839 7.534 -1.287 -21.934 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 839 6.565 -2.142 -22.768 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 840 4.736 5.535 -18.264 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 840 4.761 5.489 -17.288 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 840 4.605 4.606 -18.539 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 841 15.636 1.160 -15.005 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 841 16.387 1.706 -14.781 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 841 16.024 0.292 -15.216 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 842 9.048 -3.599 -20.599 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 842 9.855 -3.077 -20.526 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 842 8.409 -2.993 -21.010 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 843 7.477 2.765 -18.632 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 843 6.728 2.885 -19.232 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 843 7.151 2.113 -17.969 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 844 6.882 7.707 -17.852 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 844 6.163 7.205 -18.263 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 844 7.474 7.026 -17.493 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 845 -0.180 4.547 -21.850 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 845 0.759 4.443 -21.618 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 845 -0.475 5.314 -21.318 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 846 4.523 2.588 -18.533 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 846 3.776 1.981 -18.723 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 846 4.903 2.253 -17.691 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 847 8.803 -4.092 -17.558 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 847 7.866 -4.190 -17.313 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 847 8.797 -4.122 -18.529 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 848 17.135 -1.539 -15.191 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 848 16.546 -2.199 -15.609 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 848 18.003 -1.942 -15.231 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 849 5.684 -4.480 -20.628 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 849 6.452 -5.071 -20.682 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 849 6.027 -3.615 -20.912 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 850 3.095 -7.257 -17.442 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 850 3.034 -6.968 -18.367 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 850 3.076 -6.432 -16.938 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 851 15.471 -3.811 -16.473 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 851 14.918 -3.238 -17.034 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 851 14.838 -4.257 -15.886 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 852 13.758 -1.652 -17.930 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 852 13.821 -0.723 -18.203 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 852 12.841 -1.901 -18.129 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 853 13.383 1.515 -18.085 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 853 14.000 2.245 -18.181 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 853 13.052 1.599 -17.171 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 854 9.601 -0.733 -22.231 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 854 10.021 -0.668 -23.092 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 854 10.222 -0.280 -21.627 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 855 5.877 4.881 -21.048 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 855 5.437 5.515 -21.644 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 855 5.725 5.243 -20.168 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 856 8.084 -6.458 -21.123 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 856 7.884 -6.816 -20.239 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 856 8.602 -5.655 -20.944 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 857 10.640 -1.849 -18.287 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 857 10.322 -1.089 -17.773 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 857 10.102 -2.597 -17.963 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 858 1.698 8.004 -12.647 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 858 2.367 8.504 -13.151 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 858 1.818 7.078 -12.947 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 859 3.562 8.314 -17.475 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 859 3.035 8.170 -18.288 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 859 4.119 7.530 -17.420 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 860 10.435 3.151 -18.396 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 860 9.523 3.149 -18.741 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 860 10.542 2.268 -18.009 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 861 9.685 0.668 -16.740 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 861 8.735 0.819 -16.561 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 861 10.009 0.197 -15.940 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 862 7.437 -4.271 -14.022 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 862 6.535 -4.644 -14.123 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 862 7.493 -3.591 -14.727 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 863 11.709 0.204 -20.260 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 863 12.215 0.864 -19.755 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 863 11.369 -0.405 -19.583 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 864 13.073 -0.598 -10.774 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 864 13.984 -0.749 -11.074 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 864 12.555 -0.527 -11.607 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 865 12.644 1.781 -15.131 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 865 13.604 1.732 -14.979 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 865 12.262 1.190 -14.447 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 866 7.839 -5.591 -10.958 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 866 8.764 -5.586 -10.658 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 866 7.786 -4.859 -11.581 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 867 13.461 -1.520 -14.912 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 867 13.530 -1.356 -15.865 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 867 12.541 -1.256 -14.687 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 868 15.378 -1.391 -12.555 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 868 16.269 -1.404 -12.912 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 868 14.809 -1.277 -13.341 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 869 10.270 -6.182 -9.213 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 869 11.080 -6.696 -9.029 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 869 10.570 -5.254 -9.186 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 870 1.702 -0.751 -21.172 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 870 2.067 -0.118 -20.536 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 870 0.795 -0.455 -21.306 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 871 2.483 -4.155 -16.784 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 871 3.072 -4.259 -16.004 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 871 1.598 -4.078 -16.400 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 872 2.882 -5.150 -19.676 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 872 3.814 -4.970 -19.907 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 872 2.753 -4.685 -18.828 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 873 0.682 -7.275 -21.203 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 873 -0.216 -6.892 -21.217 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 873 1.195 -6.692 -21.767 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 874 2.556 4.415 -20.521 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 874 3.073 4.982 -21.122 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 874 3.161 3.703 -20.288 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 875 11.385 -0.514 -8.161 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 875 10.471 -0.256 -8.319 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 875 11.865 -0.203 -8.950 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 876 11.018 -2.012 -3.569 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 876 11.498 -2.530 -4.227 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 876 10.674 -2.682 -2.940 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 877 12.944 5.785 -2.202 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 877 12.008 6.046 -2.048 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 877 13.401 6.620 -2.332 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 878 10.943 3.964 -3.633 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 878 10.087 4.252 -3.280 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 878 11.572 4.609 -3.282 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 879 15.637 -3.332 -7.432 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 879 15.585 -3.847 -8.254 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 879 14.717 -3.163 -7.196 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 880 9.537 -11.160 -7.869 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 880 8.758 -11.513 -8.337 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 880 9.279 -11.183 -6.925 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 881 14.441 4.078 -7.455 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 881 15.302 3.725 -7.672 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 881 14.062 3.425 -6.831 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 882 12.528 11.262 -0.519 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 882 12.424 10.301 -0.567 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 882 11.709 11.606 -0.910 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 883 10.404 14.545 -2.460 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 883 9.682 14.192 -3.012 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 883 10.159 15.458 -2.307 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 884 12.114 2.133 -10.113 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 884 11.552 2.334 -10.884 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 884 12.608 1.338 -10.378 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 885 12.925 2.390 -5.474 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 885 12.302 2.680 -4.786 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 885 13.102 1.461 -5.262 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 886 15.319 1.518 0.969 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 886 14.711 2.012 0.394 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 886 15.956 1.136 0.367 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 887 13.157 2.827 -0.822 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 887 13.106 3.627 -1.364 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 887 12.839 2.116 -1.415 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 888 12.471 5.527 -13.186 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 888 12.978 5.828 -13.961 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 888 11.888 4.835 -13.537 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 889 9.283 10.394 -5.168 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 889 8.619 10.880 -5.671 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 889 10.132 10.661 -5.568 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 890 6.051 7.493 -9.619 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 890 6.655 7.586 -10.372 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 890 5.376 6.863 -9.931 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 891 5.058 11.415 -9.865 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 891 4.511 12.107 -10.283 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 891 5.342 10.852 -10.616 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 892 13.919 5.277 -10.582 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 892 13.401 5.331 -11.412 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 892 14.812 5.092 -10.874 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 893 13.512 -7.825 -0.790 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 893 14.436 -7.858 -0.493 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 893 13.394 -6.909 -1.106 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 894 13.018 -4.868 -1.480 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 894 12.127 -5.210 -1.746 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 894 12.876 -3.924 -1.370 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 895 10.206 2.830 -12.343 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 895 10.543 2.024 -12.772 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 895 9.427 3.083 -12.888 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 896 15.919 -7.925 -8.158 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 896 15.910 -7.429 -7.317 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 896 15.921 -7.237 -8.840 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 897 12.603 -2.795 -6.442 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 897 12.199 -2.035 -6.904 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 897 12.277 -3.564 -6.922 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 898 14.392 -10.584 -8.141 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 898 15.016 -11.308 -8.173 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 898 14.951 -9.787 -8.074 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 899 15.520 -6.038 -5.845 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 899 15.672 -5.180 -6.271 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 899 15.434 -5.818 -4.900 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 900 13.185 -4.492 -14.531 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 900 12.245 -4.721 -14.638 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 900 13.206 -3.523 -14.650 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 901 13.315 -3.603 -11.652 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 901 13.207 -4.022 -12.523 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 901 13.862 -2.822 -11.833 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 902 9.909 5.616 -10.896 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 902 9.521 6.290 -11.465 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 902 9.900 4.810 -11.440 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 903 17.200 6.811 3.051 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 903 16.850 6.046 2.584 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 903 17.034 6.612 3.994 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 904 12.495 0.596 -2.772 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 904 11.818 -0.094 -2.863 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 904 13.170 0.351 -3.428 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 905 4.510 8.597 -4.514 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 905 5.295 8.895 -4.028 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 905 4.835 8.426 -5.408 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 906 14.699 4.801 3.443 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 906 14.386 4.849 2.524 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 906 14.651 5.722 3.760 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 907 9.584 6.516 -14.030 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 907 9.391 5.711 -14.544 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 907 10.536 6.492 -13.904 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 908 14.273 8.588 1.305 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 908 14.263 7.614 1.272 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 908 13.651 8.854 0.608 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 909 12.782 12.789 -3.359 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 909 13.027 12.333 -2.542 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 909 12.048 13.377 -3.095 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 910 7.916 3.724 -13.952 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 910 7.826 3.942 -14.890 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 910 7.156 4.159 -13.533 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 911 15.647 -4.914 -3.005 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 911 14.836 -4.840 -2.479 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 911 16.311 -5.232 -2.378 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 912 18.251 -6.198 -1.838 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 912 18.763 -5.706 -2.483 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 912 18.486 -7.115 -1.994 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 913 7.700 7.894 -12.188 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 913 8.376 7.805 -12.882 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 913 7.154 7.081 -12.283 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 914 11.496 -3.439 -9.236 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 914 12.085 -3.424 -10.018 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 914 11.411 -2.506 -8.986 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 915 14.821 -5.366 -9.688 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 915 14.042 -5.904 -9.472 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 915 14.517 -4.789 -10.409 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 916 3.279 6.163 -10.032 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 916 2.311 6.110 -10.166 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 916 3.648 5.680 -10.786 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 917 13.395 5.651 -16.109 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 917 12.602 5.101 -16.000 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 917 13.164 6.254 -16.829 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 918 18.838 3.635 6.967 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 918 19.359 4.239 7.529 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 918 18.944 3.987 6.083 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 919 10.791 4.091 -15.415 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 919 10.247 4.058 -16.216 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 919 11.232 3.220 -15.391 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 920 11.600 2.153 1.815 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 920 12.234 2.294 1.089 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 920 11.060 2.966 1.813 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 921 12.541 6.643 6.888 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 921 12.205 7.434 7.330 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 921 13.079 6.998 6.154 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 922 15.317 -3.681 8.075 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 922 15.785 -2.837 8.163 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 922 14.388 -3.427 7.958 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 923 13.504 1.265 6.928 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 923 14.029 2.050 6.691 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 923 12.930 1.126 6.160 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 924 13.018 -3.771 3.359 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 924 13.938 -3.893 3.056 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 924 12.546 -4.533 2.987 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 925 11.485 -5.583 1.392 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 925 11.334 -5.545 0.427 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 925 11.847 -6.470 1.539 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 926 7.049 13.237 -12.996 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 926 7.184 13.067 -13.947 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 926 7.226 12.393 -12.576 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 927 13.818 1.090 3.598 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 927 13.394 1.721 2.995 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 927 14.715 0.999 3.244 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 928 16.441 9.792 2.959 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 928 17.048 9.033 2.872 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 928 15.834 9.702 2.196 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 929 13.636 5.603 0.787 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 929 12.701 5.494 1.032 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 929 13.667 5.336 -0.144 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 930 14.060 -0.509 -5.134 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 930 14.966 -0.778 -5.301 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 930 13.525 -1.237 -5.499 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 931 10.005 -11.433 -2.174 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 931 10.937 -11.356 -1.908 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 931 9.675 -10.517 -2.148 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 932 3.077 9.059 -9.337 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 932 3.176 8.115 -9.583 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 932 3.866 9.485 -9.708 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 933 7.115 12.587 -15.989 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 933 7.499 12.633 -16.864 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 933 6.947 11.635 -15.850 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 934 2.213 5.492 -14.016 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 934 2.990 5.133 -13.528 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 934 2.178 4.958 -14.825 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 935 17.025 -7.121 3.745 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 935 16.262 -7.481 4.236 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 935 17.450 -6.519 4.379 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 936 13.069 4.140 13.987 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 936 13.904 4.014 14.480 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 936 12.648 3.265 14.009 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 937 12.582 1.406 15.128 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 937 12.348 1.050 14.254 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 937 12.097 0.827 15.750 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 938 10.387 4.694 14.989 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 938 9.876 4.372 14.229 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 938 11.315 4.599 14.705 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 939 22.430 1.683 16.080 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 939 21.801 2.351 16.421 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 939 22.241 0.887 16.603 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 940 16.986 -3.302 17.537 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 940 17.678 -3.425 16.867 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 940 16.154 -3.411 17.045 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 941 9.279 -2.438 11.468 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 941 10.157 -2.503 11.867 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 941 9.247 -1.543 11.106 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 942 10.273 2.199 13.166 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 942 9.357 1.872 13.286 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 942 10.664 1.567 12.549 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 943 19.327 -0.283 17.796 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 943 18.931 -0.464 16.929 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 943 18.990 0.604 18.029 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 944 7.328 0.510 9.153 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 944 7.330 -0.424 8.877 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 944 6.547 0.579 9.736 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 945 19.274 -3.426 15.408 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 945 20.111 -3.428 14.938 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 945 18.863 -2.575 15.160 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 946 4.335 -4.768 13.551 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 946 3.486 -4.529 13.979 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 946 4.158 -4.644 12.599 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 947 11.233 2.339 8.747 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 947 10.650 2.536 7.995 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 947 11.981 1.862 8.349 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 948 11.171 1.708 4.887 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 948 10.694 0.852 4.905 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 948 11.985 1.514 4.398 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 949 13.220 2.054 11.806 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 949 12.632 1.444 12.264 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 949 13.533 1.546 11.032 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 950 17.593 -3.429 20.540 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 950 17.527 -4.371 20.714 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 950 17.485 -3.358 19.574 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 951 9.246 4.785 11.981 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 951 9.518 5.271 11.179 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 951 9.874 4.047 12.041 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 952 5.052 0.655 11.172 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 952 4.526 1.301 11.652 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 952 4.822 -0.197 11.588 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 953 14.375 0.485 9.643 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 953 14.062 0.738 8.750 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 953 15.238 0.067 9.478 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 954 3.173 3.093 13.615 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 954 3.475 2.217 13.930 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 954 2.964 3.576 14.427 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 955 9.222 9.042 17.068 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 955 9.583 9.545 17.815 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 955 8.461 8.566 17.450 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 956 10.283 4.065 6.329 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 956 10.406 4.762 5.684 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 956 10.484 3.242 5.831 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 957 18.594 6.865 7.421 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 957 19.453 7.207 7.119 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 957 18.698 6.780 8.387 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 958 11.320 6.876 16.758 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 958 10.851 6.345 16.086 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 958 10.792 7.688 16.832 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 959 20.803 10.849 5.769 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 959 20.619 9.943 6.074 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 959 19.935 11.295 5.797 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 960 16.887 -0.431 21.087 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 960 16.937 -1.377 20.889 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 960 17.071 -0.374 22.041 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 961 4.522 -2.057 16.246 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 961 3.618 -1.731 16.201 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 961 4.431 -2.973 16.545 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 962 16.768 -0.911 8.487 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 962 17.346 -1.530 8.001 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 962 17.298 -0.089 8.547 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 963 6.911 3.121 10.943 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 963 7.060 2.444 10.264 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 963 7.765 3.569 11.024 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 964 9.884 0.458 10.704 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 964 10.410 1.001 10.089 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 964 8.985 0.480 10.327 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 965 13.271 -2.080 10.761 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 965 12.827 -2.526 10.024 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 965 13.648 -1.277 10.362 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 966 11.829 -0.453 12.871 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 966 11.043 -0.467 12.300 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 966 12.254 -1.316 12.710 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 967 1.481 -0.813 15.500 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 967 1.500 -1.456 14.762 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 967 1.174 -1.335 16.261 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 968 14.804 -1.246 18.699 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 968 15.521 -1.888 18.590 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 968 14.021 -1.793 18.893 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 969 11.637 -3.535 13.297 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 969 12.458 -3.998 13.072 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 969 10.981 -4.241 13.380 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 970 18.050 10.580 20.737 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 970 17.454 10.944 21.405 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 970 18.364 11.361 20.249 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 971 6.478 7.302 21.479 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 971 7.338 7.402 21.922 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 971 6.632 6.633 20.808 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 972 8.835 -2.399 15.335 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 972 8.207 -1.661 15.425 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 972 8.279 -3.193 15.398 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 973 10.948 9.662 9.489 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 973 10.555 9.052 10.134 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 973 10.220 9.866 8.876 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 974 18.614 -3.182 7.705 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 974 19.022 -3.511 8.525 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 974 18.352 -3.980 7.232 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 975 11.181 -0.818 16.418 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 975 10.760 -1.371 15.732 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 975 10.452 -0.600 17.024 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 976 16.355 -4.584 11.280 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 976 15.691 -4.584 10.579 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 976 17.194 -4.475 10.815 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 977 3.736 3.439 10.275 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 977 3.830 2.994 9.405 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 977 4.634 3.420 10.646 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 978 7.504 1.093 13.453 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 978 6.828 0.991 12.769 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 978 7.133 0.636 14.228 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 979 17.982 4.392 11.194 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 979 17.345 3.786 11.607 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 979 18.715 3.817 10.915 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 980 10.235 7.645 11.558 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 980 9.266 7.584 11.533 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 980 10.426 8.073 12.417 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 981 16.178 3.476 8.415 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 981 17.071 3.427 8.032 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 981 15.593 3.588 7.647 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 982 21.270 8.108 7.026 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 982 22.097 7.598 7.012 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 982 21.229 8.473 7.927 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 983 3.992 -4.981 16.943 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 983 3.257 -4.891 16.303 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 983 4.277 -5.906 16.844 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 984 15.986 2.885 12.812 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 984 15.948 2.785 13.784 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 984 15.120 2.563 12.508 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 985 15.164 -2.204 13.100 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 985 16.027 -2.280 12.650 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 985 14.513 -2.374 12.392 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 986 12.258 -3.428 8.247 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 986 12.630 -4.039 8.913 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 986 11.370 -3.783 8.081 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 987 14.334 -2.980 15.942 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 987 13.430 -2.659 16.024 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 987 14.629 -2.646 15.078 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 988 16.375 0.841 17.198 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 988 16.092 0.756 16.269 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 988 16.015 0.047 17.632 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 989 6.756 -4.575 15.316 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 989 6.066 -4.441 14.638 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 989 6.259 -4.765 16.120 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 990 13.399 6.105 22.687 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 990 13.873 5.303 22.973 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 990 12.467 5.823 22.636 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 991 10.740 4.802 22.217 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 991 11.266 4.061 21.868 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 991 9.825 4.553 22.029 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 992 16.302 6.131 5.837 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 992 15.661 5.536 6.238 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 992 17.005 6.222 6.513 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 993 4.322 4.301 21.345 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 993 3.740 5.072 21.434 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 993 4.894 4.346 22.118 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 994 9.362 2.169 16.494 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 994 9.355 1.639 15.689 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 994 9.736 3.019 16.218 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 995 14.103 4.096 6.329 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 995 14.254 4.179 5.365 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 995 13.377 4.722 6.513 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 996 4.211 0.475 14.441 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 996 4.427 -0.381 14.026 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 996 3.474 0.270 15.035 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 997 9.966 5.235 9.103 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 997 10.392 4.362 9.148 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 997 9.780 5.353 8.161 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 998 4.008 -1.799 12.470 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 998 3.209 -2.177 12.902 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 998 4.192 -2.417 11.742 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 999 12.442 2.762 20.675 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 999 11.653 2.194 20.598 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 999 13.068 2.373 20.048 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1000 9.019 -1.552 18.514 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1000 8.871 -2.192 17.805 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1000 8.424 -1.850 19.231 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1001 12.078 -2.597 18.730 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1001 11.339 -2.391 19.308 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1001 11.878 -2.119 17.911 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1002 18.240 0.122 23.747 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1002 18.147 0.151 24.698 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1002 19.187 0.262 23.594 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1003 1.073 -2.079 24.055 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1003 1.937 -1.949 24.450 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1003 1.258 -2.185 23.104 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1004 17.368 7.414 22.126 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1004 16.898 8.067 22.667 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1004 16.989 7.525 21.237 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1005 20.518 2.887 10.841 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1005 20.829 3.645 10.315 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1005 21.210 2.775 11.528 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1006 19.370 -3.701 10.645 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1006 18.851 -2.945 10.981 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1006 20.077 -3.803 11.280 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1007 18.572 1.397 9.100 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1007 19.311 1.699 9.653 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1007 18.618 1.966 8.313 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1008 15.363 0.447 14.439 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1008 14.462 0.781 14.582 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1008 15.244 -0.332 13.866 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1009 19.228 1.522 20.807 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1009 18.561 0.826 20.958 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1009 18.979 1.906 19.942 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1010 20.449 -3.064 18.343 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1010 19.898 -2.257 18.286 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1010 20.231 -3.554 17.542 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1011 17.099 -5.718 6.516 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1011 16.701 -6.458 6.999 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1011 16.550 -4.955 6.761 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1012 18.272 -0.595 14.907 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1012 18.660 -0.071 14.187 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1012 17.338 -0.337 14.906 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1013 13.299 1.448 18.036 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1013 13.710 0.578 18.182 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1013 13.182 1.499 17.075 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1014 7.105 -2.987 20.393 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1014 6.188 -2.990 20.051 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1014 7.059 -3.512 21.194 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1015 6.664 7.953 18.219 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1015 5.710 7.919 18.028 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1015 6.845 7.100 18.651 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1016 12.617 8.972 19.562 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1016 11.887 8.336 19.575 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1016 12.966 8.954 20.469 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1017 15.636 8.073 19.754 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1017 14.977 8.513 20.319 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1017 15.555 8.532 18.897 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1018 8.832 -4.998 12.930 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1018 8.419 -4.652 13.737 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1018 8.797 -4.248 12.303 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1019 14.973 11.450 6.915 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1019 15.458 10.669 6.588 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1019 14.478 11.111 7.685 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1020 18.716 7.077 10.380 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1020 18.458 6.170 10.646 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1020 18.282 7.654 11.034 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1021 4.227 -3.264 19.487 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1021 3.390 -2.781 19.538 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1021 4.103 -3.883 18.749 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1022 18.648 10.905 24.389 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1022 19.334 11.567 24.582 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1022 19.099 10.248 23.832 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1023 14.032 8.946 22.223 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1023 14.743 9.132 22.868 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1023 13.741 8.035 22.445 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1024 14.821 3.562 23.656 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1024 14.427 3.177 24.462 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1024 15.677 3.907 23.955 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1025 14.059 3.447 29.562 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1025 13.188 3.181 29.865 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1025 14.404 3.991 30.273 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1026 14.434 2.812 26.568 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1026 14.248 3.148 27.462 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1026 15.086 2.126 26.705 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1027 20.932 13.015 24.464 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1027 21.699 13.328 24.942 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1027 21.306 12.517 23.714 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1028 10.819 4.707 18.799 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1028 11.134 5.319 18.110 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1028 11.628 4.347 19.189 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1029 9.211 7.774 22.753 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1029 8.994 8.722 22.858 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1029 9.749 7.567 23.519 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1030 13.084 11.849 21.935 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1030 13.899 12.002 21.429 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1030 13.220 10.983 22.347 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1031 16.102 9.331 24.340 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1031 15.925 9.053 25.243 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1031 16.916 9.868 24.409 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1032 6.901 -0.171 16.198 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1032 6.895 0.319 17.021 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1032 6.052 -0.661 16.204 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1033 8.548 3.603 20.437 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1033 8.720 2.655 20.330 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1033 9.235 4.031 19.888 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1034 17.613 4.821 23.710 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1034 18.540 4.519 23.673 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1034 17.627 5.691 23.271 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1035 8.219 10.651 22.919 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1035 8.537 11.481 23.305 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1035 7.344 10.518 23.333 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1036 0.052 2.687 26.063 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1036 -0.277 3.377 25.459 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1036 0.982 2.883 26.162 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1037 13.519 15.425 27.659 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1037 13.266 15.710 28.535 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1037 12.674 15.171 27.234 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1038 9.884 7.464 19.840 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1038 10.043 6.560 19.536 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1038 9.705 7.369 20.795 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1039 -1.514 8.682 -22.206 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1039 -1.673 9.383 -21.552 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1039 -1.485 7.860 -21.668 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1040 5.211 9.718 -12.261 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1040 4.642 9.565 -13.033 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1040 5.988 9.152 -12.417 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1041 4.478 17.179 -8.477 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1041 3.510 17.280 -8.529 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1041 4.633 16.246 -8.700 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1042 5.774 17.467 0.032 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1042 6.280 16.733 0.414 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1042 5.343 17.885 0.793 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1043 2.158 12.837 -2.072 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1043 2.007 13.746 -1.771 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1043 1.263 12.454 -2.131 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1044 4.076 15.235 -1.269 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1044 4.650 15.954 -0.948 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1044 3.682 15.592 -2.084 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1045 3.058 16.164 -4.011 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1045 2.230 16.653 -4.018 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1045 3.674 16.729 -4.519 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1046 10.681 4.666 0.556 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1046 10.379 5.027 -0.300 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1046 10.513 5.386 1.190 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1047 9.984 11.108 -2.201 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1047 9.869 10.142 -2.082 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1047 10.003 11.222 -3.166 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1048 14.023 7.699 4.372 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1048 13.250 8.182 4.038 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1048 14.774 8.135 3.952 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1049 7.931 13.744 -4.012 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1049 7.472 14.419 -4.548 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1049 7.624 12.901 -4.386 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1050 0.492 12.869 -11.122 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1050 0.421 11.895 -11.144 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1050 -0.419 13.175 -11.170 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1051 4.796 14.131 -8.411 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1051 5.026 13.797 -9.293 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1051 3.827 14.007 -8.355 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1052 5.481 9.607 -7.473 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1052 5.569 10.224 -8.227 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1052 5.671 8.733 -7.865 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1053 4.380 13.322 -3.989 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1053 3.945 13.092 -3.146 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1053 4.354 14.295 -4.013 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1054 11.817 8.306 -0.378 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1054 11.624 7.702 0.359 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1054 11.148 8.071 -1.060 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1055 4.617 15.158 -13.507 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1055 4.870 16.073 -13.376 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1055 5.431 14.653 -13.323 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1056 6.417 11.590 -5.439 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1056 6.061 10.898 -6.024 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1056 5.628 12.036 -5.081 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1057 7.616 12.659 -1.179 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1057 7.442 13.204 -1.967 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1057 8.510 12.293 -1.341 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1058 6.912 9.883 -3.051 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1058 7.731 9.361 -2.917 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1058 7.101 10.422 -3.843 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1059 8.983 14.495 3.304 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1059 8.683 15.295 3.775 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1059 8.574 14.566 2.431 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1060 13.641 10.940 4.090 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1060 13.877 11.592 4.769 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1060 14.417 10.905 3.512 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1061 8.662 9.273 0.811 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1061 9.389 9.801 1.155 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1061 8.997 8.930 -0.047 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1062 18.087 11.946 6.414 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1062 17.749 11.034 6.394 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1062 17.298 12.492 6.330 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1063 12.406 9.641 6.583 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1063 12.993 9.979 5.886 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1063 11.554 10.068 6.400 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1064 9.896 10.560 5.287 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1064 9.462 10.380 6.146 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1064 9.259 11.123 4.818 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1065 6.877 14.732 0.993 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1065 7.101 14.119 0.270 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1065 6.392 14.187 1.628 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1066 1.839 13.772 -8.499 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1066 1.455 13.471 -9.343 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1066 1.160 13.529 -7.829 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1067 8.007 16.795 5.066 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1067 7.293 16.787 5.729 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1067 7.917 17.647 4.634 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1068 12.028 11.515 -6.081 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1068 12.870 11.578 -6.532 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1068 12.195 11.916 -5.207 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1069 -1.664 9.939 -8.831 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1069 -0.983 10.139 -9.504 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1069 -1.920 10.812 -8.484 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1070 6.162 15.259 -5.954 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1070 5.963 14.897 -6.835 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1070 5.872 16.181 -6.005 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1071 4.046 12.487 -15.071 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1071 4.985 12.446 -15.304 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1071 3.956 13.328 -14.595 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1072 16.768 9.205 5.969 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1072 16.864 9.303 5.008 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1072 16.718 8.247 6.107 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1073 10.819 18.572 17.763 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1073 10.047 18.861 18.268 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1073 10.574 18.731 16.834 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1074 6.516 16.550 10.986 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1074 5.947 17.256 10.627 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1074 6.526 15.875 10.287 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1075 1.471 18.412 10.792 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1075 1.232 17.532 10.439 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1075 1.068 18.434 11.662 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1076 21.519 10.042 14.928 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1076 21.978 10.835 14.588 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1076 22.227 9.510 15.324 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1077 15.460 18.628 15.787 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1077 15.135 19.181 15.070 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1077 16.204 19.116 16.147 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1078 20.006 11.569 11.708 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1078 19.709 12.057 10.923 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1078 20.875 11.949 11.910 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1079 1.868 13.574 12.088 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1079 2.717 13.685 11.647 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1079 2.102 13.441 13.020 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1080 5.601 17.244 6.944 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1080 5.109 16.781 7.629 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1080 5.087 17.082 6.135 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1081 15.948 9.871 17.488 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1081 16.904 9.957 17.377 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1081 15.731 10.515 18.183 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1082 7.468 18.291 22.533 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1082 7.880 18.271 21.645 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1082 6.982 19.119 22.547 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1083 19.210 10.487 16.880 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1083 18.574 10.111 16.244 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1083 20.050 10.512 16.386 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1084 17.400 9.356 14.850 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1084 17.644 9.374 13.904 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1084 16.883 8.537 14.946 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1085 16.420 13.001 17.491 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1085 16.123 12.484 16.720 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1085 16.260 13.927 17.233 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1086 4.952 18.723 13.268 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1086 4.955 18.853 12.309 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1086 4.444 17.901 13.395 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1087 3.695 15.989 13.844 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1087 4.283 15.416 13.318 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1087 3.073 15.373 14.257 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1088 20.836 9.242 9.884 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1088 20.611 9.971 10.484 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1088 20.136 8.582 10.036 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1089 17.043 15.481 23.119 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1089 16.584 15.423 23.979 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1089 17.761 16.092 23.276 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1090 14.951 14.567 21.079 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1090 14.408 14.224 21.814 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1090 15.766 14.878 21.508 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1091 13.832 13.582 9.704 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1091 13.457 12.750 9.389 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1091 13.056 14.126 9.923 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1092 6.348 13.867 9.542 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1092 6.406 12.934 9.790 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1092 6.242 13.847 8.567 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1093 10.362 15.741 20.416 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1093 10.110 15.644 21.353 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1093 11.242 16.165 20.449 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1094 12.856 14.735 13.023 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1094 12.625 15.092 12.152 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1094 12.023 14.360 13.355 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1095 6.918 16.264 18.122 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1095 6.265 15.998 18.789 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1095 6.386 16.722 17.436 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1096 7.572 12.091 4.419 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1096 6.808 12.424 3.919 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1096 8.252 12.784 4.298 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1097 4.984 13.718 12.337 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1097 5.410 13.969 11.504 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1097 5.261 12.799 12.479 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1098 3.110 13.156 5.423 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1098 2.964 13.824 6.116 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1098 2.405 12.514 5.562 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1099 15.573 15.622 16.341 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1099 15.597 16.585 16.212 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1099 15.670 15.259 15.438 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1100 8.581 14.386 11.648 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1100 8.044 15.178 11.795 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1100 7.997 13.790 11.167 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1101 2.949 15.731 7.359 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1101 2.309 15.976 6.666 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1101 2.428 15.747 8.179 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1102 5.903 13.208 6.712 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1102 5.097 13.174 6.178 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1102 6.614 12.997 6.087 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1103 15.549 11.044 12.031 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1103 14.583 11.145 12.067 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1103 15.867 11.906 11.713 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1104 10.299 14.900 6.168 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1104 9.641 15.599 6.042 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1104 10.419 14.528 5.285 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1105 13.524 17.397 17.851 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1105 12.698 17.927 17.810 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1105 14.106 17.811 17.195 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1106 8.596 18.094 19.770 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1106 7.960 17.649 19.181 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1106 9.273 17.416 19.940 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1107 9.757 16.403 23.443 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1107 9.074 17.085 23.312 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1107 10.566 16.906 23.637 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1108 12.517 11.677 11.853 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1108 12.537 12.600 12.151 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1108 11.579 11.449 11.846 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1109 10.303 18.893 14.761 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1109 9.954 19.747 14.509 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1109 9.660 18.256 14.404 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1110 16.310 13.951 8.101 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1110 15.988 13.122 7.701 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1110 15.531 14.303 8.564 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1111 15.332 11.544 15.023 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1111 15.572 12.216 14.364 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1111 16.004 10.848 14.910 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1112 5.216 13.497 3.321 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1112 4.586 13.757 2.617 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1112 4.643 13.186 4.043 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1113 5.063 17.447 16.182 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1113 4.575 16.814 15.632 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1113 5.114 18.241 15.638 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1114 13.672 24.770 21.853 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1114 13.912 25.593 21.424 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1114 13.004 25.019 22.492 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1115 7.846 17.326 13.683 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1115 7.074 17.871 13.891 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1115 7.692 17.042 12.770 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1116 13.128 16.938 20.741 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1116 13.765 16.215 20.885 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1116 13.374 17.302 19.868 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1117 6.938 15.246 22.145 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1117 7.001 16.198 22.327 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1117 6.299 14.917 22.808 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1118 15.249 11.637 19.882 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1118 15.642 12.211 19.198 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1118 15.749 11.853 20.684 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1119 4.848 15.110 20.029 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1119 3.944 15.034 20.385 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1119 5.416 15.102 20.817 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1120 9.904 10.537 19.479 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1120 9.811 9.633 19.830 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1120 9.891 11.102 20.272 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1121 17.000 13.663 11.192 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1121 16.583 13.837 10.335 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1121 17.948 13.723 11.010 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1122 19.123 12.776 18.878 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1122 19.209 12.107 18.172 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1122 18.331 13.272 18.631 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1123 4.345 14.007 17.315 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1123 3.604 13.516 17.719 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1123 4.655 14.591 18.027 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1124 21.992 10.963 22.433 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1124 22.868 10.548 22.319 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1124 21.377 10.206 22.490 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1125 23.732 10.108 5.483 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1125 22.768 10.261 5.543 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1125 23.981 10.508 4.648 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1126 4.457 18.636 10.189 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1126 4.582 19.303 9.511 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1126 3.494 18.631 10.347 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1127 21.970 11.800 19.518 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1127 21.162 12.306 19.344 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1127 21.944 11.631 20.477 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1128 15.707 14.219 13.775 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1128 16.276 14.110 12.990 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1128 14.834 14.459 13.407 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1129 13.878 10.245 9.478 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1129 13.040 9.921 9.103 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1129 13.615 10.659 10.314 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1130 19.216 13.147 9.067 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1130 18.438 13.635 8.737 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1130 19.446 12.559 8.336 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1131 11.216 14.944 10.355 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1131 10.797 15.204 9.525 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1131 10.471 14.673 10.923 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1132 16.674 12.450 22.620 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1132 17.239 12.048 23.301 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1132 16.885 13.397 22.667 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1133 12.515 17.857 23.547 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1133 12.772 17.704 22.616 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1133 12.670 18.793 23.682 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1134 10.347 12.742 21.436 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1134 11.256 12.500 21.730 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1134 9.862 12.887 22.267 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1135 8.847 13.562 23.877 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1135 8.024 13.738 23.397 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1135 9.299 14.428 23.894 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1136 0.187 11.502 27.382 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1136 -0.029 12.381 27.746 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1136 -0.624 11.215 26.966 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1137 3.632 11.661 21.370 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1137 3.223 11.057 20.730 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1137 4.551 11.727 21.075 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1138 15.537 14.554 25.580 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1138 15.908 13.767 25.983 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1138 14.955 14.929 26.274 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1139 5.753 10.677 24.738 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1139 4.963 10.250 24.372 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1139 5.597 10.681 25.698 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1140 5.032 13.675 23.970 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1140 5.383 12.791 24.155 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1140 4.094 13.605 24.187 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1141 13.052 14.750 23.569 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1141 12.874 15.699 23.679 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1141 13.788 14.575 24.177 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1142 -0.602 14.293 28.250 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1142 -1.419 14.514 28.700 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1142 -0.093 15.107 28.266 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1143 5.526 10.629 19.079 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1143 4.613 10.312 18.962 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1143 6.065 9.820 19.041 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1144 11.149 14.453 26.019 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1144 10.216 14.396 25.807 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1144 11.597 14.237 25.187 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1145 22.628 -0.960 17.728 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1145 22.058 -1.695 18.006 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1145 22.449 -0.262 18.377 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1146 23.100 3.531 7.795 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1146 23.758 4.202 8.035 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1146 23.405 2.726 8.246 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1147 18.561 1.194 12.478 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1147 17.787 1.779 12.501 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1147 19.247 1.720 12.037 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1148 24.334 3.091 18.222 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1148 23.669 2.388 18.320 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1148 23.872 3.785 17.721 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1149 22.929 5.109 16.347 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1149 22.729 6.048 16.513 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1149 22.087 4.645 16.561 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1150 22.846 4.783 11.632 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1150 23.753 4.532 11.848 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1150 22.947 5.511 10.986 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1151 27.048 2.398 16.930 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1151 27.691 2.916 17.423 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1151 26.278 2.352 17.520 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1152 25.808 4.879 15.476 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1152 26.177 4.067 15.857 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1152 24.898 4.917 15.826 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1153 25.842 3.001 21.920 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1153 26.251 3.493 21.188 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1153 26.574 2.780 22.496 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1154 26.751 4.505 19.340 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1154 26.479 5.438 19.310 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1154 25.967 4.021 19.022 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1155 21.729 1.693 19.084 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1155 21.131 2.236 18.526 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1155 21.133 1.279 19.727 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1156 18.051 7.252 17.961 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1156 18.872 7.651 18.292 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1156 17.400 7.443 18.655 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1157 24.061 -0.017 12.087 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1157 24.681 0.294 12.772 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1157 23.574 -0.733 12.515 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1158 25.507 4.795 9.392 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1158 25.384 3.847 9.560 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1158 25.776 5.155 10.253 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1159 18.946 4.882 20.127 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1159 19.781 5.371 20.016 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1159 18.972 4.200 19.425 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1160 20.290 -1.965 21.242 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1160 20.699 -2.405 20.482 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1160 19.350 -2.193 21.168 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1161 22.995 -1.412 14.657 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1161 23.895 -1.067 14.721 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1161 22.664 -1.374 15.569 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1162 25.146 1.083 14.737 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1162 25.949 1.360 15.204 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1162 24.419 1.444 15.276 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1163 21.682 4.300 26.473 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1163 22.045 3.497 26.055 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1163 21.156 3.969 27.200 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1164 22.044 2.077 13.199 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1164 22.158 1.885 14.147 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1164 22.606 1.421 12.755 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1165 21.277 0.469 22.736 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1165 21.148 -0.404 22.319 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1165 20.704 1.064 22.220 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1166 25.755 5.348 12.420 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1166 25.770 5.048 13.343 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1166 25.207 6.156 12.438 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1167 24.818 6.848 19.128 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1167 24.410 7.661 18.785 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1167 24.314 6.648 19.930 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1168 24.306 7.492 7.004 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1168 25.061 6.989 6.690 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1168 24.263 8.262 6.407 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1169 24.802 1.756 9.707 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1169 24.422 1.266 10.461 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1169 25.515 1.193 9.396 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1170 21.374 6.304 24.179 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1170 20.946 5.521 23.785 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1170 21.569 6.030 25.093 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1171 20.295 3.849 22.725 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1171 21.172 3.591 22.384 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1171 19.735 3.892 21.929 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1172 20.756 5.152 8.799 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1172 21.229 5.899 9.195 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1172 21.445 4.674 8.295 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1173 18.024 9.365 12.034 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1173 17.201 9.862 11.841 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1173 18.728 10.044 11.983 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1174 17.598 -1.406 11.427 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1174 17.329 -1.163 10.527 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1174 17.996 -0.589 11.786 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1175 22.915 3.479 21.295 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1175 22.665 2.977 20.504 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1175 23.803 3.142 21.522 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1176 23.637 6.282 22.068 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1176 23.571 5.328 21.865 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1176 23.126 6.385 22.890 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1177 21.527 6.399 19.868 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1177 22.148 6.337 20.610 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1177 21.109 7.274 19.979 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1178 21.592 7.694 17.091 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1178 21.385 7.211 17.910 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1178 22.329 8.278 17.343 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1179 27.205 7.401 14.605 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1179 27.340 7.240 13.666 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1179 26.876 6.548 14.949 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1180 23.011 7.051 9.686 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1180 23.663 7.197 8.976 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1180 22.669 7.933 9.885 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1181 20.096 8.638 22.745 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1181 20.507 7.898 23.235 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1181 19.307 8.243 22.336 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1182 22.401 1.558 25.340 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1182 23.213 1.050 25.305 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1182 21.934 1.319 24.517 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1183 25.206 11.454 16.553 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1183 25.290 12.269 17.055 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1183 26.063 11.000 16.684 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1184 27.477 9.440 16.842 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1184 28.182 9.106 17.399 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1184 27.464 8.831 16.079 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1185 24.321 8.606 15.528 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1185 25.086 8.013 15.515 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1185 24.667 9.434 15.902 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1186 22.693 11.741 8.097 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1186 21.914 11.617 7.533 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1186 23.386 11.236 7.655 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1187 23.516 12.133 14.076 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1187 23.984 11.789 13.303 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1187 24.188 12.157 14.774 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1188 23.632 9.564 18.482 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1188 24.132 10.174 17.920 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1188 23.016 10.146 18.973 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1189 24.491 10.690 11.491 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1189 25.206 10.845 10.873 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1189 23.818 11.356 11.252 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1190 20.122 8.994 19.438 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1190 19.530 9.391 20.105 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1190 20.089 9.617 18.692 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1191 22.593 12.989 10.862 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1191 22.425 13.930 10.808 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1191 22.533 12.680 9.935 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1192 24.050 7.904 12.608 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1192 24.016 8.215 13.526 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1192 24.168 8.715 12.085 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1193 24.433 9.239 21.678 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1193 24.304 8.305 21.910 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1193 24.896 9.211 20.837 1.00 0.00 WAT1 END