REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1000.95, 80.3593, 107.161, 48.2996, 564.124, -596.257, -1207.08, 2.29778, 0.145415 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.340325E-03,0.44086,1.1379,42.2976,3.547721E-03,0.126144 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 39, 5 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:20 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 23.396 -4.209 0.593 1.00 5.51 ATOM 2 CB MET 1 23.076 -3.286 2.503 1.00 20.54 ATOM 3 HB1 MET 1 22.421 -4.054 2.893 1.00 38.98 ATOM 4 HB2 MET 1 22.751 -2.325 2.877 1.00 71.53 ATOM 5 CG MET 1 24.482 -3.551 3.024 1.00 33.31 ATOM 6 HG1 MET 1 24.785 -4.543 2.718 1.00 38.98 ATOM 7 HG2 MET 1 24.469 -3.498 4.103 1.00 54.32 ATOM 8 SD MET 1 25.688 -2.362 2.400 1.00 31.12 ATOM 9 CE MET 1 27.201 -2.987 3.130 1.00 5.33 ATOM 10 HE1 MET 1 27.387 -3.988 2.772 1.00 12.44 ATOM 11 HE2 MET 1 27.104 -3.002 4.206 1.00 3.10 ATOM 12 HE3 MET 1 28.026 -2.347 2.853 1.00 2.30 ATOM 13 C MET 1 21.516 -3.186 0.524 1.00 40.44 ATOM 14 O MET 1 20.730 -2.422 1.088 1.00 22.11 ATOM 15 N MET 1 23.789 -2.161 0.408 1.00 63.23 ATOM 16 HT1 MET 1 23.761 -2.184 -0.632 1.00 38.98 ATOM 17 HT2 MET 1 24.779 -2.239 0.714 1.00 38.98 ATOM 18 HT3 MET 1 23.415 -1.246 0.730 1.00 38.98 ATOM 19 CA MET 1 22.983 -3.282 0.970 1.00 64.22 ATOM 20 N GLY 2 21.155 -3.958 -0.497 1.00 4.42 ATOM 21 HN GLY 2 21.816 -4.566 -0.893 1.00 38.98 ATOM 22 CA GLY 2 19.804 -3.903 -1.045 1.00 44.34 ATOM 23 HA1 GLY 2 19.847 -4.193 -2.086 1.00 38.98 ATOM 24 HA2 GLY 2 19.445 -2.885 -0.988 1.00 70.14 ATOM 25 C GLY 2 18.811 -4.812 -0.327 1.00 32.12 ATOM 26 O GLY 2 18.528 -5.919 -0.787 1.00 11.03 ATOM 27 N HIS 3 18.276 -4.346 0.803 1.00 1.31 ATOM 28 HN HIS 3 18.588 -3.486 1.160 1.00 38.98 ATOM 29 CA HIS 3 17.230 -5.085 1.518 1.00 43.04 ATOM 30 HA HIS 3 17.567 -6.107 1.638 1.00 33.05 ATOM 31 CB HIS 3 16.978 -4.477 2.904 1.00 53.13 ATOM 32 HB1 HIS 3 16.085 -4.920 3.324 1.00 38.98 ATOM 33 HB2 HIS 3 16.826 -3.413 2.800 1.00 54.42 ATOM 34 CG HIS 3 18.094 -4.687 3.884 1.00 20.43 ATOM 35 ND1 HIS 3 18.923 -3.675 4.317 1.00 52.01 ATOM 36 HD1 HIS 3 18.880 -2.738 4.031 1.00 63.33 ATOM 37 CD2 HIS 3 18.494 -5.799 4.542 1.00 40.03 ATOM 38 HD2 HIS 3 18.068 -6.789 4.448 1.00 11.02 ATOM 39 CE1 HIS 3 19.780 -4.155 5.194 1.00 73.15 ATOM 40 HE1 HIS 3 20.548 -3.589 5.702 1.00 45.23 ATOM 41 NE2 HIS 3 19.543 -5.440 5.350 1.00 25.13 ATOM 42 HE2 HIS 3 19.902 -5.988 6.082 1.00 38.98 ATOM 43 C HIS 3 15.919 -5.085 0.715 1.00 55.42 ATOM 44 O HIS 3 15.339 -4.030 0.456 1.00 30.42 ATOM 45 N HIS 4 15.466 -6.265 0.307 1.00 40.40 ATOM 46 HN HIS 4 15.989 -7.071 0.506 1.00 38.98 ATOM 47 CA HIS 4 14.203 -6.396 -0.421 1.00 13.53 ATOM 48 HA HIS 4 13.968 -5.432 -0.856 1.00 53.03 ATOM 49 CB HIS 4 14.343 -7.425 -1.550 1.00 73.13 ATOM 50 HB1 HIS 4 13.413 -7.481 -2.098 1.00 38.98 ATOM 51 HB2 HIS 4 14.564 -8.394 -1.125 1.00 2.55 ATOM 52 CG HIS 4 15.432 -7.086 -2.525 1.00 72.43 ATOM 53 ND1 HIS 4 15.281 -6.149 -3.523 1.00 11.51 ATOM 54 HD1 HIS 4 14.470 -5.623 -3.699 1.00 32.21 ATOM 55 CD2 HIS 4 16.702 -7.548 -2.641 1.00 34.22 ATOM 56 HD2 HIS 4 17.170 -8.300 -2.021 1.00 4.44 ATOM 57 CE1 HIS 4 16.401 -6.049 -4.208 1.00 20.10 ATOM 58 HE1 HIS 4 16.570 -5.390 -5.047 1.00 70.35 ATOM 59 NE2 HIS 4 17.281 -6.884 -3.695 1.00 32.33 ATOM 60 HE2 HIS 4 18.245 -6.855 -3.876 1.00 38.98 ATOM 61 C HIS 4 13.068 -6.789 0.538 1.00 20.01 ATOM 62 O HIS 4 12.889 -7.963 0.865 1.00 52.14 ATOM 63 N HIS 5 12.302 -5.792 0.980 1.00 54.52 ATOM 64 HN HIS 5 12.437 -4.897 0.606 1.00 38.98 ATOM 65 CA HIS 5 11.265 -5.993 2.008 1.00 21.40 ATOM 66 HA HIS 5 11.719 -6.564 2.808 1.00 40.14 ATOM 67 CB HIS 5 10.815 -4.641 2.585 1.00 40.32 ATOM 68 HB1 HIS 5 11.638 -4.204 3.134 1.00 38.98 ATOM 69 HB2 HIS 5 9.989 -4.802 3.262 1.00 64.04 ATOM 70 CG HIS 5 10.376 -3.649 1.551 1.00 45.23 ATOM 71 ND1 HIS 5 9.058 -3.430 1.215 1.00 20.32 ATOM 72 HD1 HIS 5 8.279 -3.872 1.617 1.00 72.05 ATOM 73 CD2 HIS 5 11.100 -2.807 0.777 1.00 5.51 ATOM 74 HD2 HIS 5 12.176 -2.703 0.777 1.00 41.52 ATOM 75 CE1 HIS 5 8.993 -2.502 0.281 1.00 43.11 ATOM 76 HE1 HIS 5 8.089 -2.124 -0.172 1.00 25.24 ATOM 77 NE2 HIS 5 10.215 -2.107 -0.002 1.00 0.31 ATOM 78 HE2 HIS 5 10.459 -1.589 -0.799 1.00 38.98 ATOM 79 C HIS 5 10.050 -6.789 1.492 1.00 31.24 ATOM 80 O HIS 5 9.064 -6.961 2.212 1.00 74.03 ATOM 81 N HIS 6 10.109 -7.258 0.248 1.00 64.23 ATOM 82 HN HIS 6 10.843 -6.969 -0.338 1.00 38.98 ATOM 83 CA HIS 6 9.095 -8.181 -0.273 1.00 14.35 ATOM 84 HA HIS 6 8.129 -7.857 0.096 1.00 50.24 ATOM 85 CB HIS 6 9.079 -8.154 -1.811 1.00 53.00 ATOM 86 HB1 HIS 6 10.050 -8.455 -2.180 1.00 38.98 ATOM 87 HB2 HIS 6 8.872 -7.147 -2.142 1.00 74.21 ATOM 88 CG HIS 6 8.049 -9.057 -2.427 1.00 55.34 ATOM 89 ND1 HIS 6 6.790 -8.629 -2.784 1.00 61.42 ATOM 90 HD1 HIS 6 6.440 -7.720 -2.672 1.00 72.44 ATOM 91 CD2 HIS 6 8.100 -10.371 -2.758 1.00 24.12 ATOM 92 HD2 HIS 6 8.943 -11.034 -2.622 1.00 3.51 ATOM 93 CE1 HIS 6 6.113 -9.632 -3.303 1.00 55.44 ATOM 94 HE1 HIS 6 5.097 -9.586 -3.671 1.00 2.32 ATOM 95 NE2 HIS 6 6.883 -10.700 -3.300 1.00 22.11 ATOM 96 HE2 HIS 6 6.691 -11.528 -3.791 1.00 38.98 ATOM 97 C HIS 6 9.365 -9.607 0.231 1.00 32.14 ATOM 98 O HIS 6 8.466 -10.282 0.734 1.00 1.34 ATOM 99 N HIS 7 10.614 -10.051 0.106 1.00 24.40 ATOM 100 HN HIS 7 11.294 -9.458 -0.282 1.00 38.98 ATOM 101 CA HIS 7 11.010 -11.396 0.541 1.00 20.44 ATOM 102 HA HIS 7 10.120 -11.915 0.873 1.00 33.43 ATOM 103 CB HIS 7 11.624 -12.170 -0.637 1.00 43.54 ATOM 104 HB1 HIS 7 12.523 -11.665 -0.962 1.00 38.98 ATOM 105 HB2 HIS 7 10.917 -12.186 -1.454 1.00 55.23 ATOM 106 CG HIS 7 11.982 -13.594 -0.317 1.00 51.34 ATOM 107 ND1 HIS 7 11.194 -14.666 -0.675 1.00 63.21 ATOM 108 HD1 HIS 7 10.349 -14.614 -1.172 1.00 23.43 ATOM 109 CD2 HIS 7 13.053 -14.122 0.326 1.00 45.31 ATOM 110 HD2 HIS 7 13.884 -13.573 0.748 1.00 43.14 ATOM 111 CE1 HIS 7 11.759 -15.783 -0.266 1.00 61.03 ATOM 112 HE1 HIS 7 11.367 -16.777 -0.410 1.00 62.22 ATOM 113 NE2 HIS 7 12.886 -15.482 0.341 1.00 2.53 ATOM 114 HE2 HIS 7 13.567 -16.134 0.615 1.00 38.98 ATOM 115 C HIS 7 12.006 -11.328 1.713 1.00 1.04 ATOM 116 O HIS 7 13.212 -11.200 1.508 1.00 44.43 ATOM 117 N HIS 8 11.494 -11.401 2.939 1.00 33.12 ATOM 118 HN HIS 8 10.519 -11.456 3.046 1.00 38.98 ATOM 119 CA HIS 8 12.343 -11.392 4.137 1.00 63.00 ATOM 120 HA HIS 8 13.328 -11.053 3.848 1.00 33.40 ATOM 121 CB HIS 8 11.764 -10.417 5.173 1.00 10.34 ATOM 122 HB1 HIS 8 10.783 -10.759 5.470 1.00 38.98 ATOM 123 HB2 HIS 8 11.675 -9.439 4.724 1.00 24.23 ATOM 124 CG HIS 8 12.600 -10.277 6.411 1.00 61.52 ATOM 125 ND1 HIS 8 12.438 -11.071 7.526 1.00 43.12 ATOM 126 HD1 HIS 8 11.779 -11.794 7.626 1.00 51.52 ATOM 127 CD2 HIS 8 13.615 -9.430 6.706 1.00 3.35 ATOM 128 HD2 HIS 8 14.021 -8.666 6.058 1.00 72.12 ATOM 129 CE1 HIS 8 13.311 -10.721 8.447 1.00 4.43 ATOM 130 HE1 HIS 8 13.413 -11.172 9.424 1.00 14.33 ATOM 131 NE2 HIS 8 14.037 -9.729 7.978 1.00 25.12 ATOM 132 HE2 HIS 8 14.638 -9.174 8.518 1.00 38.98 ATOM 133 C HIS 8 12.461 -12.804 4.742 1.00 12.32 ATOM 134 O HIS 8 11.599 -13.658 4.522 1.00 22.42 ATOM 135 N SER 9 13.532 -13.046 5.499 1.00 71.50 ATOM 136 HN SER 9 14.210 -12.344 5.606 1.00 38.98 ATOM 137 CA SER 9 13.733 -14.337 6.175 1.00 53.22 ATOM 138 HA SER 9 13.673 -15.115 5.427 1.00 75.13 ATOM 139 CB SER 9 15.121 -14.385 6.828 1.00 4.11 ATOM 140 HB1 SER 9 15.880 -14.290 6.064 1.00 38.98 ATOM 141 HB2 SER 9 15.246 -15.327 7.341 1.00 51.34 ATOM 142 OG SER 9 15.284 -13.330 7.764 1.00 53.14 ATOM 143 HG SER 9 16.213 -13.264 8.013 1.00 73.21 ATOM 144 C SER 9 12.652 -14.596 7.237 1.00 11.03 ATOM 145 O SER 9 12.002 -13.667 7.722 1.00 3.15 ATOM 146 N HIS 10 12.456 -15.865 7.592 1.00 32.14 ATOM 147 HN HIS 10 13.005 -16.564 7.181 1.00 38.98 ATOM 148 CA HIS 10 11.439 -16.238 8.587 1.00 22.34 ATOM 149 HA HIS 10 10.990 -15.327 8.958 1.00 71.40 ATOM 150 CB HIS 10 10.343 -17.100 7.935 1.00 3.40 ATOM 151 HB1 HIS 10 10.060 -16.652 6.992 1.00 38.98 ATOM 152 HB2 HIS 10 9.480 -17.120 8.586 1.00 64.12 ATOM 153 CG HIS 10 10.749 -18.525 7.666 1.00 5.05 ATOM 154 ND1 HIS 10 10.157 -19.600 8.292 1.00 64.35 ATOM 155 HD1 HIS 10 9.414 -19.553 8.931 1.00 65.23 ATOM 156 CD2 HIS 10 11.690 -19.052 6.842 1.00 1.20 ATOM 157 HD2 HIS 10 12.353 -18.503 6.189 1.00 15.24 ATOM 158 CE1 HIS 10 10.711 -20.717 7.874 1.00 14.04 ATOM 159 HE1 HIS 10 10.447 -21.713 8.198 1.00 4.11 ATOM 160 NE2 HIS 10 11.642 -20.417 6.995 1.00 21.35 ATOM 161 HE2 HIS 10 12.083 -21.068 6.409 1.00 38.98 ATOM 162 C HIS 10 12.068 -16.989 9.773 1.00 20.24 ATOM 163 O HIS 10 13.033 -17.739 9.602 1.00 22.15 ATOM 164 N MET 11 11.509 -16.792 10.967 1.00 41.23 ATOM 165 HN MET 11 10.743 -16.182 11.038 1.00 38.98 ATOM 166 CA MET 11 12.005 -17.458 12.180 1.00 32.05 ATOM 167 HA MET 11 13.040 -17.170 12.313 1.00 74.23 ATOM 168 CB MET 11 11.205 -17.002 13.407 1.00 71.24 ATOM 169 HB1 MET 11 11.560 -17.541 14.274 1.00 38.98 ATOM 170 HB2 MET 11 10.162 -17.240 13.252 1.00 32.42 ATOM 171 CG MET 11 11.318 -15.510 13.695 1.00 55.00 ATOM 172 HG1 MET 11 10.980 -14.961 12.828 1.00 38.98 ATOM 173 HG2 MET 11 12.355 -15.272 13.887 1.00 53.31 ATOM 174 SD MET 11 10.335 -14.995 15.122 1.00 53.34 ATOM 175 CE MET 11 11.102 -15.936 16.442 1.00 31.54 ATOM 176 HE1 MET 11 10.614 -15.707 17.379 1.00 74.33 ATOM 177 HE2 MET 11 12.148 -15.677 16.511 1.00 54.10 ATOM 178 HE3 MET 11 11.005 -16.992 16.236 1.00 31.24 ATOM 179 C MET 11 11.935 -18.989 12.046 1.00 33.15 ATOM 180 O MET 11 10.878 -19.551 11.755 1.00 62.23 ATOM 181 N ASN 12 13.066 -19.652 12.264 1.00 62.01 ATOM 182 HN ASN 12 13.860 -19.148 12.548 1.00 38.98 ATOM 183 CA ASN 12 13.167 -21.106 12.093 1.00 71.52 ATOM 184 HA ASN 12 12.746 -21.348 11.126 1.00 0.52 ATOM 185 CB ASN 12 14.638 -21.537 12.104 1.00 45.41 ATOM 186 HB1 ASN 12 14.695 -22.610 11.982 1.00 38.98 ATOM 187 HB2 ASN 12 15.084 -21.264 13.050 1.00 5.32 ATOM 188 CG ASN 12 15.434 -20.883 10.989 1.00 62.24 ATOM 189 OD1 ASN 12 15.478 -21.377 9.869 1.00 24.25 ATOM 190 ND2 ASN 12 16.063 -19.762 11.277 1.00 65.41 ATOM 191 HD21 ASN 12 15.987 -19.406 12.187 1.00 32.33 ATOM 192 HD22 ASN 12 16.589 -19.334 10.569 1.00 62.43 ATOM 193 C ASN 12 12.383 -21.881 13.170 1.00 5.31 ATOM 194 O ASN 12 11.966 -21.317 14.186 1.00 71.51 ATOM 195 N SER 13 12.212 -23.187 12.934 1.00 33.31 ATOM 196 HN SER 13 12.598 -23.571 12.119 1.00 38.98 ATOM 197 CA SER 13 11.453 -24.079 13.833 1.00 61.42 ATOM 198 HA SER 13 10.406 -23.826 13.744 1.00 74.33 ATOM 199 CB SER 13 11.644 -25.542 13.406 1.00 3.33 ATOM 200 HB1 SER 13 11.013 -26.180 14.010 1.00 38.98 ATOM 201 HB2 SER 13 12.678 -25.825 13.547 1.00 75.43 ATOM 202 OG SER 13 11.306 -25.729 12.041 1.00 20.10 ATOM 203 HG SER 13 11.363 -26.668 11.822 1.00 23.23 ATOM 204 C SER 13 11.876 -23.927 15.301 1.00 32.50 ATOM 205 O SER 13 11.046 -23.996 16.209 1.00 50.42 ATOM 206 N ALA 14 13.168 -23.732 15.531 1.00 63.30 ATOM 207 HN ALA 14 13.791 -23.712 14.773 1.00 38.98 ATOM 208 CA ALA 14 13.689 -23.568 16.890 1.00 62.13 ATOM 209 HA ALA 14 13.238 -24.332 17.509 1.00 42.50 ATOM 210 CB ALA 14 15.191 -23.786 16.902 1.00 72.44 ATOM 211 HB1 ALA 14 15.675 -23.004 16.336 1.00 31.13 ATOM 212 HB2 ALA 14 15.419 -24.744 16.458 1.00 3.54 ATOM 213 HB3 ALA 14 15.549 -23.767 17.921 1.00 63.11 ATOM 214 C ALA 14 13.350 -22.190 17.483 1.00 34.12 ATOM 215 O ALA 14 12.939 -22.090 18.640 1.00 31.33 ATOM 216 N GLU 15 13.518 -21.133 16.684 1.00 34.24 ATOM 217 HN GLU 15 13.789 -21.279 15.755 1.00 38.98 ATOM 218 CA GLU 15 13.292 -19.755 17.153 1.00 23.33 ATOM 219 HA GLU 15 13.991 -19.567 17.957 1.00 33.11 ATOM 220 CB GLU 15 13.560 -18.750 16.023 1.00 74.13 ATOM 221 HB1 GLU 15 13.259 -17.765 16.356 1.00 38.98 ATOM 222 HB2 GLU 15 12.963 -19.026 15.166 1.00 64.14 ATOM 223 CG GLU 15 15.018 -18.677 15.582 1.00 41.23 ATOM 224 HG1 GLU 15 15.319 -19.647 15.211 1.00 38.98 ATOM 225 HG2 GLU 15 15.629 -18.415 16.435 1.00 51.42 ATOM 226 CD GLU 15 15.240 -17.643 14.487 1.00 53.13 ATOM 227 OE1 GLU 15 15.234 -18.024 13.297 1.00 33.33 ATOM 228 OE2 GLU 15 15.402 -16.444 14.810 1.00 2.40 ATOM 229 C GLU 15 11.864 -19.555 17.689 1.00 24.13 ATOM 230 O GLU 15 11.662 -18.957 18.751 1.00 64.12 ATOM 231 N GLN 16 10.874 -20.046 16.942 1.00 22.20 ATOM 232 HN GLN 16 11.091 -20.471 16.083 1.00 38.98 ATOM 233 CA GLN 16 9.472 -19.958 17.365 1.00 11.12 ATOM 234 HA GLN 16 9.247 -18.914 17.539 1.00 71.24 ATOM 235 CB GLN 16 8.539 -20.486 16.261 1.00 63.23 ATOM 236 HB1 GLN 16 8.656 -19.864 15.385 1.00 38.98 ATOM 237 HB2 GLN 16 7.516 -20.417 16.605 1.00 60.13 ATOM 238 CG GLN 16 8.812 -21.933 15.861 1.00 14.50 ATOM 239 HG1 GLN 16 8.801 -22.547 16.752 1.00 38.98 ATOM 240 HG2 GLN 16 9.791 -21.989 15.405 1.00 53.22 ATOM 241 CD GLN 16 7.795 -22.489 14.878 1.00 1.21 ATOM 242 OE1 GLN 16 7.217 -21.764 14.077 1.00 60.42 ATOM 243 NE2 GLN 16 7.575 -23.786 14.931 1.00 62.24 ATOM 244 HE21 GLN 16 8.071 -24.312 15.589 1.00 34.40 ATOM 245 HE22 GLN 16 6.919 -24.167 14.311 1.00 51.12 ATOM 246 C GLN 16 9.237 -20.733 18.674 1.00 72.41 ATOM 247 O GLN 16 8.504 -20.280 19.553 1.00 62.31 ATOM 248 N THR 17 9.886 -21.892 18.802 1.00 41.35 ATOM 249 HN THR 17 10.476 -22.188 18.077 1.00 38.98 ATOM 250 CA THR 17 9.743 -22.742 19.993 1.00 1.41 ATOM 251 HA THR 17 8.688 -22.940 20.129 1.00 20.35 ATOM 252 CB THR 17 10.467 -24.100 19.813 1.00 13.04 ATOM 253 HB THR 17 11.519 -23.909 19.650 1.00 33.31 ATOM 254 OG1 THR 17 9.936 -24.789 18.669 1.00 2.35 ATOM 255 HG1 THR 17 10.559 -24.727 17.938 1.00 71.34 ATOM 256 CG2 THR 17 10.315 -24.983 21.050 1.00 4.42 ATOM 257 HG21 THR 17 10.750 -24.487 21.906 1.00 53.44 ATOM 258 HG22 THR 17 10.822 -25.923 20.886 1.00 21.20 ATOM 259 HG23 THR 17 9.267 -25.170 21.236 1.00 5.44 ATOM 260 C THR 17 10.280 -22.050 21.251 1.00 31.40 ATOM 261 O THR 17 9.613 -22.028 22.285 1.00 61.53 ATOM 262 N VAL 18 11.487 -21.485 21.160 1.00 60.20 ATOM 263 HN VAL 18 11.995 -21.577 20.326 1.00 38.98 ATOM 264 CA VAL 18 12.074 -20.734 22.280 1.00 22.43 ATOM 265 HA VAL 18 12.270 -21.432 23.083 1.00 23.44 ATOM 266 CB VAL 18 13.415 -20.060 21.878 1.00 51.14 ATOM 267 HB VAL 18 13.211 -19.350 21.086 1.00 53.25 ATOM 268 CG1 VAL 18 14.018 -19.295 23.057 1.00 65.21 ATOM 269 HG11 VAL 18 14.949 -18.840 22.753 1.00 32.32 ATOM 270 HG12 VAL 18 14.202 -19.978 23.875 1.00 45.40 ATOM 271 HG13 VAL 18 13.330 -18.526 23.380 1.00 71.23 ATOM 272 CG2 VAL 18 14.405 -21.094 21.343 1.00 31.30 ATOM 273 HG21 VAL 18 14.646 -21.804 22.124 1.00 45.12 ATOM 274 HG22 VAL 18 15.308 -20.598 21.020 1.00 4.25 ATOM 275 HG23 VAL 18 13.965 -21.618 20.506 1.00 31.44 ATOM 276 C VAL 18 11.102 -19.654 22.782 1.00 61.03 ATOM 277 O VAL 18 10.742 -19.617 23.960 1.00 42.14 ATOM 278 N THR 19 10.662 -18.796 21.863 1.00 22.23 ATOM 279 HN THR 19 10.995 -18.878 20.942 1.00 38.98 ATOM 280 CA THR 19 9.704 -17.726 22.181 1.00 64.04 ATOM 281 HA THR 19 10.157 -17.082 22.922 1.00 61.34 ATOM 282 CB THR 19 9.384 -16.880 20.925 1.00 64.31 ATOM 283 HB THR 19 8.824 -17.491 20.230 1.00 73.00 ATOM 284 OG1 THR 19 10.604 -16.463 20.293 1.00 15.21 ATOM 285 HG1 THR 19 10.834 -17.088 19.593 1.00 32.41 ATOM 286 CG2 THR 19 8.549 -15.650 21.278 1.00 52.14 ATOM 287 HG21 THR 19 9.079 -15.047 22.001 1.00 41.55 ATOM 288 HG22 THR 19 7.603 -15.962 21.695 1.00 61.25 ATOM 289 HG23 THR 19 8.371 -15.068 20.385 1.00 44.25 ATOM 290 C THR 19 8.389 -18.292 22.743 1.00 72.32 ATOM 291 O THR 19 7.793 -17.731 23.664 1.00 73.34 ATOM 292 N TRP 20 7.951 -19.412 22.175 1.00 33.22 ATOM 293 HN TRP 20 8.471 -19.801 21.440 1.00 38.98 ATOM 294 CA TRP 20 6.723 -20.090 22.604 1.00 15.42 ATOM 295 HA TRP 20 5.907 -19.387 22.509 1.00 5.33 ATOM 296 CB TRP 20 6.464 -21.283 21.674 1.00 33.52 ATOM 297 HB1 TRP 20 7.289 -21.978 21.757 1.00 38.98 ATOM 298 HB2 TRP 20 6.412 -20.926 20.656 1.00 72.32 ATOM 299 CG TRP 20 5.198 -22.035 21.956 1.00 62.01 ATOM 300 CD1 TRP 20 3.934 -21.524 22.021 1.00 52.30 ATOM 301 HD1 TRP 20 3.692 -20.480 21.890 1.00 31.30 ATOM 302 CD2 TRP 20 5.073 -23.444 22.179 1.00 15.02 ATOM 303 NE1 TRP 20 3.035 -22.527 22.285 1.00 71.41 ATOM 304 HE1 TRP 20 2.063 -22.411 22.385 1.00 12.22 ATOM 305 CE2 TRP 20 3.709 -23.714 22.386 1.00 60.32 ATOM 306 CE3 TRP 20 5.987 -24.502 22.228 1.00 31.01 ATOM 307 HE3 TRP 20 7.043 -24.335 22.075 1.00 14.30 ATOM 308 CZ2 TRP 20 3.234 -24.997 22.636 1.00 61.11 ATOM 309 HZ2 TRP 20 2.184 -25.198 22.794 1.00 14.14 ATOM 310 CZ3 TRP 20 5.514 -25.776 22.477 1.00 31.42 ATOM 311 HZ3 TRP 20 6.203 -26.607 22.520 1.00 1.22 ATOM 312 CH2 TRP 20 4.149 -26.013 22.678 1.00 40.34 ATOM 313 HH2 TRP 20 3.826 -27.024 22.871 1.00 34.43 ATOM 314 C TRP 20 6.819 -20.544 24.074 1.00 1.21 ATOM 315 O TRP 20 5.880 -20.370 24.853 1.00 54.23 ATOM 316 N LEU 21 7.965 -21.108 24.449 1.00 33.25 ATOM 317 HN LEU 21 8.667 -21.251 23.778 1.00 38.98 ATOM 318 CA LEU 21 8.205 -21.530 25.835 1.00 71.11 ATOM 319 HA LEU 21 7.400 -22.190 26.121 1.00 30.15 ATOM 320 CB LEU 21 9.534 -22.293 25.939 1.00 65.35 ATOM 321 HB1 LEU 21 9.682 -22.573 26.973 1.00 38.98 ATOM 322 HB2 LEU 21 10.333 -21.621 25.652 1.00 63.30 ATOM 323 CG LEU 21 9.642 -23.565 25.079 1.00 53.55 ATOM 324 HG LEU 21 9.576 -23.290 24.035 1.00 64.14 ATOM 325 CD1 LEU 21 10.990 -24.247 25.292 1.00 53.10 ATOM 326 HD11 LEU 21 11.784 -23.561 25.039 1.00 32.33 ATOM 327 HD12 LEU 21 11.056 -25.121 24.659 1.00 75.24 ATOM 328 HD13 LEU 21 11.087 -24.544 26.327 1.00 24.34 ATOM 329 CD2 LEU 21 8.497 -24.527 25.384 1.00 73.12 ATOM 330 HD21 LEU 21 7.555 -24.053 25.146 1.00 51.34 ATOM 331 HD22 LEU 21 8.512 -24.791 26.432 1.00 73.01 ATOM 332 HD23 LEU 21 8.609 -25.422 24.787 1.00 70.14 ATOM 333 C LEU 21 8.219 -20.325 26.797 1.00 52.24 ATOM 334 O LEU 21 7.727 -20.406 27.928 1.00 61.35 ATOM 335 N ILE 22 8.782 -19.207 26.338 1.00 34.24 ATOM 336 HN ILE 22 9.159 -19.203 25.431 1.00 38.98 ATOM 337 CA ILE 22 8.868 -17.987 27.151 1.00 75.01 ATOM 338 HA ILE 22 9.311 -18.258 28.100 1.00 44.30 ATOM 339 CB ILE 22 9.784 -16.929 26.481 1.00 75.42 ATOM 340 HB ILE 22 9.367 -16.686 25.512 1.00 4.41 ATOM 341 CG1 ILE 22 11.201 -17.500 26.289 1.00 44.31 ATOM 342 HG11 ILE 22 11.138 -18.408 25.706 1.00 38.98 ATOM 343 HG12 ILE 22 11.626 -17.731 27.255 1.00 54.43 ATOM 344 CG2 ILE 22 9.827 -15.643 27.313 1.00 34.14 ATOM 345 HG21 ILE 22 8.830 -15.237 27.406 1.00 74.32 ATOM 346 HG22 ILE 22 10.465 -14.917 26.827 1.00 20.13 ATOM 347 HG23 ILE 22 10.218 -15.863 28.296 1.00 13.42 ATOM 348 CD1 ILE 22 12.155 -16.560 25.579 1.00 73.50 ATOM 349 HD11 ILE 22 12.249 -15.645 26.145 1.00 53.01 ATOM 350 HD12 ILE 22 11.776 -16.338 24.593 1.00 52.12 ATOM 351 HD13 ILE 22 13.123 -17.030 25.494 1.00 14.51 ATOM 352 C ILE 22 7.479 -17.373 27.416 1.00 24.45 ATOM 353 O ILE 22 7.154 -17.032 28.557 1.00 54.13 ATOM 354 N THR 23 6.658 -17.243 26.368 1.00 72.15 ATOM 355 HN THR 23 6.959 -17.549 25.484 1.00 38.98 ATOM 356 CA THR 23 5.314 -16.645 26.512 1.00 60.04 ATOM 357 HA THR 23 5.441 -15.693 27.010 1.00 50.23 ATOM 358 CB THR 23 4.629 -16.376 25.145 1.00 24.12 ATOM 359 HB THR 23 5.255 -15.704 24.576 1.00 4.12 ATOM 360 OG1 THR 23 3.349 -15.754 25.346 1.00 31.03 ATOM 361 HG1 THR 23 2.806 -15.868 24.554 1.00 40.22 ATOM 362 CG2 THR 23 4.447 -17.660 24.345 1.00 61.54 ATOM 363 HG21 THR 23 3.850 -18.359 24.912 1.00 32.44 ATOM 364 HG22 THR 23 5.413 -18.098 24.138 1.00 42.51 ATOM 365 HG23 THR 23 3.949 -17.436 23.413 1.00 71.00 ATOM 366 C THR 23 4.389 -17.515 27.379 1.00 61.32 ATOM 367 O THR 23 3.520 -17.001 28.080 1.00 10.32 ATOM 368 N LEU 24 4.585 -18.833 27.340 1.00 15.00 ATOM 369 HN LEU 24 5.251 -19.198 26.719 1.00 38.98 ATOM 370 CA LEU 24 3.817 -19.754 28.192 1.00 14.23 ATOM 371 HA LEU 24 2.787 -19.426 28.182 1.00 44.12 ATOM 372 CB LEU 24 3.884 -21.181 27.628 1.00 54.50 ATOM 373 HB1 LEU 24 3.456 -21.855 28.358 1.00 38.98 ATOM 374 HB2 LEU 24 4.925 -21.441 27.492 1.00 35.21 ATOM 375 CG LEU 24 3.153 -21.394 26.290 1.00 1.24 ATOM 376 HG LEU 24 3.557 -20.709 25.558 1.00 12.20 ATOM 377 CD1 LEU 24 3.371 -22.812 25.770 1.00 24.32 ATOM 378 HD11 LEU 24 4.427 -22.984 25.620 1.00 42.41 ATOM 379 HD12 LEU 24 2.853 -22.934 24.828 1.00 62.15 ATOM 380 HD13 LEU 24 2.988 -23.525 26.485 1.00 52.43 ATOM 381 CD2 LEU 24 1.661 -21.102 26.437 1.00 1.21 ATOM 382 HD21 LEU 24 1.525 -20.087 26.784 1.00 31.25 ATOM 383 HD22 LEU 24 1.224 -21.788 27.149 1.00 62.53 ATOM 384 HD23 LEU 24 1.175 -21.219 25.479 1.00 34.55 ATOM 385 C LEU 24 4.319 -19.738 29.649 1.00 1.42 ATOM 386 O LEU 24 3.755 -20.411 30.517 1.00 42.13 ATOM 387 N GLY 25 5.386 -18.976 29.904 1.00 25.10 ATOM 388 HN GLY 25 5.815 -18.496 29.165 1.00 38.98 ATOM 389 CA GLY 25 5.920 -18.840 31.257 1.00 32.52 ATOM 390 HA1 GLY 25 5.117 -18.549 31.921 1.00 38.98 ATOM 391 HA2 GLY 25 6.665 -18.058 31.255 1.00 11.05 ATOM 392 C GLY 25 6.560 -20.117 31.791 1.00 12.01 ATOM 393 O GLY 25 6.640 -20.319 33.005 1.00 71.45 ATOM 394 N VAL 26 7.020 -20.985 30.889 1.00 11.43 ATOM 395 HN VAL 26 6.930 -20.772 29.936 1.00 38.98 ATOM 396 CA VAL 26 7.647 -22.253 31.284 1.00 53.41 ATOM 397 HA VAL 26 7.416 -22.426 32.329 1.00 64.45 ATOM 398 CB VAL 26 7.077 -23.438 30.468 1.00 2.43 ATOM 399 HB VAL 26 7.443 -24.358 30.908 1.00 51.43 ATOM 400 CG1 VAL 26 5.555 -23.447 30.561 1.00 33.34 ATOM 401 HG11 VAL 26 5.256 -23.545 31.596 1.00 25.02 ATOM 402 HG12 VAL 26 5.162 -24.278 29.997 1.00 4.42 ATOM 403 HG13 VAL 26 5.161 -22.523 30.162 1.00 15.43 ATOM 404 CG2 VAL 26 7.536 -23.390 29.011 1.00 32.44 ATOM 405 HG21 VAL 26 7.129 -24.236 28.475 1.00 72.55 ATOM 406 HG22 VAL 26 8.615 -23.425 28.970 1.00 63.12 ATOM 407 HG23 VAL 26 7.190 -22.474 28.552 1.00 45.31 ATOM 408 C VAL 26 9.174 -22.199 31.128 1.00 71.31 ATOM 409 O VAL 26 9.899 -23.024 31.688 1.00 64.23 ATOM 410 N LEU 27 9.652 -21.222 30.362 1.00 63.01 ATOM 411 HN LEU 27 9.021 -20.629 29.902 1.00 38.98 ATOM 412 CA LEU 27 11.090 -20.997 30.185 1.00 35.22 ATOM 413 HA LEU 27 11.618 -21.622 30.894 1.00 72.11 ATOM 414 CB LEU 27 11.519 -21.381 28.759 1.00 35.23 ATOM 415 HB1 LEU 27 10.984 -20.749 28.064 1.00 38.98 ATOM 416 HB2 LEU 27 11.225 -22.406 28.582 1.00 63.55 ATOM 417 CG LEU 27 13.024 -21.253 28.461 1.00 12.45 ATOM 418 HG LEU 27 13.334 -20.234 28.653 1.00 0.42 ATOM 419 CD1 LEU 27 13.841 -22.166 29.373 1.00 61.01 ATOM 420 HD11 LEU 27 13.558 -23.196 29.204 1.00 73.21 ATOM 421 HD12 LEU 27 13.652 -21.907 30.405 1.00 1.44 ATOM 422 HD13 LEU 27 14.893 -22.042 29.159 1.00 2.02 ATOM 423 CD2 LEU 27 13.308 -21.560 26.992 1.00 2.12 ATOM 424 HD21 LEU 27 12.988 -22.568 26.764 1.00 14.44 ATOM 425 HD22 LEU 27 14.368 -21.468 26.802 1.00 41.30 ATOM 426 HD23 LEU 27 12.770 -20.862 26.367 1.00 75.53 ATOM 427 C LEU 27 11.435 -19.528 30.466 1.00 63.12 ATOM 428 O LEU 27 10.629 -18.633 30.203 1.00 22.43 ATOM 429 N GLU 28 12.624 -19.284 31.011 1.00 13.33 ATOM 430 HN GLU 28 13.234 -20.031 31.179 1.00 38.98 ATOM 431 CA GLU 28 13.045 -17.924 31.368 1.00 4.33 ATOM 432 HA GLU 28 12.196 -17.422 31.812 1.00 64.45 ATOM 433 CB GLU 28 14.179 -17.977 32.399 1.00 74.45 ATOM 434 HB1 GLU 28 13.834 -18.532 33.261 1.00 38.98 ATOM 435 HB2 GLU 28 14.415 -16.969 32.708 1.00 31.50 ATOM 436 CG GLU 28 15.459 -18.632 31.891 1.00 12.35 ATOM 437 HG1 GLU 28 15.786 -18.112 31.001 1.00 38.98 ATOM 438 HG2 GLU 28 15.248 -19.664 31.645 1.00 74.04 ATOM 439 CD GLU 28 16.577 -18.592 32.919 1.00 71.30 ATOM 440 OE1 GLU 28 16.767 -19.590 33.644 1.00 0.20 ATOM 441 OE2 GLU 28 17.264 -17.554 33.019 1.00 74.31 ATOM 442 C GLU 28 13.498 -17.118 30.140 1.00 20.22 ATOM 443 O GLU 28 13.797 -17.678 29.083 1.00 4.53 ATOM 444 N SER 29 13.548 -15.796 30.292 1.00 71.21 ATOM 445 HN SER 29 13.254 -15.402 31.142 1.00 38.98 ATOM 446 CA SER 29 14.031 -14.913 29.223 1.00 4.11 ATOM 447 HA SER 29 13.656 -15.296 28.283 1.00 43.30 ATOM 448 CB SER 29 13.510 -13.481 29.420 1.00 33.44 ATOM 449 HB1 SER 29 12.431 -13.497 29.459 1.00 38.98 ATOM 450 HB2 SER 29 13.829 -12.868 28.589 1.00 3.24 ATOM 451 OG SER 29 14.002 -12.905 30.624 1.00 42.43 ATOM 452 HG SER 29 13.362 -13.044 31.334 1.00 23.43 ATOM 453 C SER 29 15.567 -14.904 29.179 1.00 21.35 ATOM 454 O SER 29 16.225 -14.739 30.211 1.00 32.31 ATOM 455 N PRO 30 16.166 -15.082 27.985 1.00 12.33 ATOM 456 CA PRO 30 17.632 -15.129 27.834 1.00 11.20 ATOM 457 HA PRO 30 18.062 -15.911 28.448 1.00 42.52 ATOM 458 CB PRO 30 17.824 -15.480 26.351 1.00 52.21 ATOM 459 HB1 PRO 30 17.962 -16.547 26.248 1.00 38.98 ATOM 460 HB2 PRO 30 18.690 -14.963 25.960 1.00 33.31 ATOM 461 CG PRO 30 16.568 -15.029 25.685 1.00 41.11 ATOM 462 HG1 PRO 30 16.388 -15.618 24.797 1.00 38.98 ATOM 463 HG2 PRO 30 16.642 -13.980 25.430 1.00 22.43 ATOM 464 CD PRO 30 15.471 -15.248 26.691 1.00 73.14 ATOM 465 HD1 PRO 30 15.062 -16.245 26.598 1.00 38.98 ATOM 466 HD2 PRO 30 14.692 -14.507 26.569 1.00 5.23 ATOM 467 C PRO 30 18.318 -13.793 28.173 1.00 71.23 ATOM 468 O PRO 30 17.760 -12.717 27.950 1.00 12.33 ATOM 469 N LYS 31 19.543 -13.867 28.694 1.00 11.24 ATOM 470 HN LYS 31 19.951 -14.749 28.826 1.00 38.98 ATOM 471 CA LYS 31 20.296 -12.664 29.079 1.00 3.32 ATOM 472 HA LYS 31 19.591 -11.928 29.439 1.00 72.54 ATOM 473 CB LYS 31 21.304 -12.979 30.200 1.00 25.25 ATOM 474 HB1 LYS 31 21.725 -12.047 30.550 1.00 38.98 ATOM 475 HB2 LYS 31 22.101 -13.580 29.786 1.00 51.20 ATOM 476 CG LYS 31 20.730 -13.724 31.410 1.00 43.43 ATOM 477 HG1 LYS 31 19.742 -13.337 31.622 1.00 38.98 ATOM 478 HG2 LYS 31 21.373 -13.553 32.261 1.00 63.34 ATOM 479 CD LYS 31 20.631 -15.230 31.162 1.00 13.45 ATOM 480 HD1 LYS 31 21.542 -15.567 30.685 1.00 38.98 ATOM 481 HD2 LYS 31 19.792 -15.422 30.508 1.00 72.44 ATOM 482 CE LYS 31 20.433 -16.014 32.457 1.00 43.31 ATOM 483 HE1 LYS 31 21.240 -15.773 33.135 1.00 38.98 ATOM 484 HE2 LYS 31 20.463 -17.070 32.231 1.00 64.31 ATOM 485 NZ LYS 31 19.139 -15.705 33.117 1.00 2.52 ATOM 486 HZ1 LYS 31 19.095 -16.169 34.046 1.00 35.40 ATOM 487 HZ2 LYS 31 18.347 -16.053 32.540 1.00 72.13 ATOM 488 HZ3 LYS 31 19.034 -14.681 33.249 1.00 33.40 ATOM 489 C LYS 31 21.057 -12.073 27.877 1.00 51.05 ATOM 490 O LYS 31 21.764 -11.071 28.002 1.00 32.03 ATOM 491 N LYS 32 20.904 -12.704 26.716 1.00 74.04 ATOM 492 HN LYS 32 20.261 -13.438 26.661 1.00 38.98 ATOM 493 CA LYS 32 21.659 -12.331 25.514 1.00 74.10 ATOM 494 HA LYS 32 21.721 -11.253 25.472 1.00 51.10 ATOM 495 CB LYS 32 23.075 -12.917 25.595 1.00 25.33 ATOM 496 HB1 LYS 32 23.600 -12.448 26.414 1.00 38.98 ATOM 497 HB2 LYS 32 23.598 -12.700 24.673 1.00 63.44 ATOM 498 CG LYS 32 23.092 -14.429 25.818 1.00 4.21 ATOM 499 HG1 LYS 32 22.517 -14.904 25.034 1.00 38.98 ATOM 500 HG2 LYS 32 22.637 -14.644 26.775 1.00 54.13 ATOM 501 CD LYS 32 24.508 -14.998 25.809 1.00 52.44 ATOM 502 HD1 LYS 32 24.471 -16.030 26.129 1.00 38.98 ATOM 503 HD2 LYS 32 25.118 -14.432 26.501 1.00 74.41 ATOM 504 CE LYS 32 25.147 -14.931 24.424 1.00 71.10 ATOM 505 HE1 LYS 32 25.187 -13.899 24.108 1.00 38.98 ATOM 506 HE2 LYS 32 24.541 -15.497 23.730 1.00 20.23 ATOM 507 NZ LYS 32 26.525 -15.490 24.427 1.00 24.11 ATOM 508 HZ1 LYS 32 26.899 -15.524 23.458 1.00 5.54 ATOM 509 HZ2 LYS 32 26.518 -16.455 24.818 1.00 53.43 ATOM 510 HZ3 LYS 32 27.150 -14.897 25.011 1.00 4.12 ATOM 511 C LYS 32 20.970 -12.843 24.243 1.00 63.24 ATOM 512 O LYS 32 19.916 -13.478 24.309 1.00 2.45 ATOM 513 N THR 33 21.573 -12.564 23.090 1.00 21.12 ATOM 514 HN THR 33 22.353 -11.970 23.091 1.00 38.98 ATOM 515 CA THR 33 21.096 -13.113 21.815 1.00 4.53 ATOM 516 HA THR 33 20.025 -12.961 21.767 1.00 22.54 ATOM 517 CB THR 33 21.744 -12.391 20.606 1.00 14.11 ATOM 518 HB THR 33 22.818 -12.448 20.711 1.00 35.15 ATOM 519 OG1 THR 33 21.353 -11.009 20.591 1.00 34.34 ATOM 520 HG1 THR 33 22.135 -10.458 20.470 1.00 40.03 ATOM 521 CG2 THR 33 21.349 -13.044 19.282 1.00 11.44 ATOM 522 HG21 THR 33 21.704 -14.064 19.261 1.00 2.41 ATOM 523 HG22 THR 33 21.790 -12.493 18.464 1.00 5.03 ATOM 524 HG23 THR 33 20.273 -13.035 19.181 1.00 71.15 ATOM 525 C THR 33 21.392 -14.615 21.720 1.00 0.12 ATOM 526 O THR 33 22.520 -15.052 21.954 1.00 42.31 ATOM 527 N ILE 34 20.377 -15.403 21.380 1.00 11.21 ATOM 528 HN ILE 34 19.505 -15.000 21.181 1.00 38.98 ATOM 529 CA ILE 34 20.530 -16.858 21.287 1.00 1.44 ATOM 530 HA ILE 34 21.142 -17.180 22.120 1.00 73.32 ATOM 531 CB ILE 34 19.160 -17.576 21.391 1.00 23.43 ATOM 532 HB ILE 34 18.541 -17.243 20.568 1.00 24.22 ATOM 533 CG1 ILE 34 18.465 -17.214 22.715 1.00 75.11 ATOM 534 HG11 ILE 34 17.483 -17.670 22.737 1.00 38.98 ATOM 535 HG12 ILE 34 18.358 -16.141 22.775 1.00 1.42 ATOM 536 CG2 ILE 34 19.331 -19.091 21.271 1.00 11.43 ATOM 537 HG21 ILE 34 19.994 -19.446 22.048 1.00 5.34 ATOM 538 HG22 ILE 34 19.751 -19.333 20.305 1.00 25.14 ATOM 539 HG23 ILE 34 18.369 -19.574 21.372 1.00 75.22 ATOM 540 CD1 ILE 34 19.220 -17.672 23.950 1.00 70.31 ATOM 541 HD11 ILE 34 19.332 -18.745 23.928 1.00 0.13 ATOM 542 HD12 ILE 34 18.669 -17.387 24.833 1.00 71.32 ATOM 543 HD13 ILE 34 20.196 -17.207 23.971 1.00 50.25 ATOM 544 C ILE 34 21.227 -17.268 19.980 1.00 4.22 ATOM 545 O ILE 34 20.619 -17.269 18.909 1.00 65.01 ATOM 546 N SER 35 22.514 -17.596 20.079 1.00 43.14 ATOM 547 HN SER 35 22.952 -17.533 20.954 1.00 38.98 ATOM 548 CA SER 35 23.298 -18.043 18.918 1.00 62.10 ATOM 549 HA SER 35 23.119 -17.348 18.109 1.00 13.35 ATOM 550 CB SER 35 24.798 -18.045 19.252 1.00 61.20 ATOM 551 HB1 SER 35 25.357 -18.391 18.394 1.00 38.98 ATOM 552 HB2 SER 35 24.977 -18.708 20.087 1.00 51.30 ATOM 553 OG SER 35 25.257 -16.744 19.601 1.00 35.45 ATOM 554 HG SER 35 26.086 -16.564 19.131 1.00 41.44 ATOM 555 C SER 35 22.869 -19.446 18.469 1.00 63.15 ATOM 556 O SER 35 22.772 -19.731 17.274 1.00 75.43 ATOM 557 N ASP 36 22.621 -20.317 19.442 1.00 71.42 ATOM 558 HN ASP 36 22.742 -20.032 20.372 1.00 38.98 ATOM 559 CA ASP 36 22.189 -21.693 19.178 1.00 44.24 ATOM 560 HA ASP 36 22.127 -21.822 18.106 1.00 31.35 ATOM 561 CB ASP 36 23.233 -22.677 19.732 1.00 4.33 ATOM 562 HB1 ASP 36 24.146 -22.579 19.162 1.00 38.98 ATOM 563 HB2 ASP 36 22.859 -23.686 19.627 1.00 32.33 ATOM 564 CG ASP 36 23.555 -22.427 21.201 1.00 4.13 ATOM 565 OD1 ASP 36 23.167 -23.252 22.054 1.00 52.10 ATOM 566 OD2 ASP 36 24.190 -21.394 21.509 1.00 44.33 ATOM 567 C ASP 36 20.797 -21.966 19.786 1.00 23.45 ATOM 568 O ASP 36 20.677 -22.350 20.948 1.00 65.54 ATOM 569 N PRO 37 19.713 -21.756 19.012 1.00 73.13 ATOM 570 CA PRO 37 18.342 -21.949 19.515 1.00 72.41 ATOM 571 HA PRO 37 18.156 -21.319 20.375 1.00 65.21 ATOM 572 CB PRO 37 17.457 -21.491 18.345 1.00 43.32 ATOM 573 HB1 PRO 37 17.129 -20.474 18.515 1.00 38.98 ATOM 574 HB2 PRO 37 16.594 -22.139 18.262 1.00 3.14 ATOM 575 CG PRO 37 18.329 -21.584 17.136 1.00 22.52 ATOM 576 HG1 PRO 37 18.026 -20.847 16.405 1.00 38.98 ATOM 577 HG2 PRO 37 18.265 -22.577 16.713 1.00 61.25 ATOM 578 CD PRO 37 19.732 -21.305 17.607 1.00 22.12 ATOM 579 HD1 PRO 37 19.951 -20.249 17.547 1.00 38.98 ATOM 580 HD2 PRO 37 20.447 -21.873 17.028 1.00 53.30 ATOM 581 C PRO 37 18.050 -23.411 19.903 1.00 4.50 ATOM 582 O PRO 37 17.552 -23.682 20.996 1.00 12.50 ATOM 583 N GLU 38 18.374 -24.347 19.010 1.00 62.04 ATOM 584 HN GLU 38 18.754 -24.072 18.151 1.00 38.98 ATOM 585 CA GLU 38 18.172 -25.781 19.275 1.00 71.53 ATOM 586 HA GLU 38 17.137 -25.914 19.562 1.00 70.51 ATOM 587 CB GLU 38 18.434 -26.599 17.999 1.00 61.14 ATOM 588 HB1 GLU 38 18.423 -27.651 18.248 1.00 38.98 ATOM 589 HB2 GLU 38 19.411 -26.341 17.610 1.00 51.41 ATOM 590 CG GLU 38 17.395 -26.354 16.904 1.00 61.52 ATOM 591 HG1 GLU 38 17.367 -25.294 16.689 1.00 38.98 ATOM 592 HG2 GLU 38 16.428 -26.665 17.274 1.00 10.54 ATOM 593 CD GLU 38 17.676 -27.107 15.611 1.00 62.32 ATOM 594 OE1 GLU 38 17.591 -28.353 15.606 1.00 31.31 ATOM 595 OE2 GLU 38 17.956 -26.452 14.582 1.00 43.21 ATOM 596 C GLU 38 19.060 -26.277 20.432 1.00 14.02 ATOM 597 O GLU 38 18.621 -27.073 21.266 1.00 24.14 ATOM 598 N GLY 39 20.301 -25.795 20.484 1.00 62.31 ATOM 599 HN GLY 39 20.612 -25.199 19.773 1.00 38.98 ATOM 600 CA GLY 39 21.202 -26.148 21.581 1.00 21.04 ATOM 601 HA1 GLY 39 22.179 -25.737 21.376 1.00 38.98 ATOM 602 HA2 GLY 39 21.282 -27.225 21.634 1.00 1.43 ATOM 603 C GLY 39 20.722 -25.620 22.931 1.00 1.43 ATOM 604 O GLY 39 20.680 -26.357 23.921 1.00 14.52 ATOM 605 N PHE 40 20.365 -24.338 22.967 1.00 54.25 ATOM 606 HN PHE 40 20.510 -23.787 22.169 1.00 38.98 ATOM 607 CA PHE 40 19.786 -23.713 24.161 1.00 53.42 ATOM 608 HA PHE 40 20.536 -23.732 24.939 1.00 4.23 ATOM 609 CB PHE 40 19.420 -22.253 23.856 1.00 40.42 ATOM 610 HB1 PHE 40 18.743 -22.232 23.013 1.00 38.98 ATOM 611 HB2 PHE 40 20.319 -21.713 23.594 1.00 43.53 ATOM 612 CG PHE 40 18.761 -21.521 25.005 1.00 4.13 ATOM 613 CD1 PHE 40 19.510 -21.085 26.090 1.00 0.42 ATOM 614 HD1 PHE 40 20.573 -21.277 26.113 1.00 24.13 ATOM 615 CD2 PHE 40 17.394 -21.263 24.996 1.00 4.23 ATOM 616 HD2 PHE 40 16.797 -21.597 24.158 1.00 44.55 ATOM 617 CE1 PHE 40 18.912 -20.408 27.138 1.00 65.42 ATOM 618 HE1 PHE 40 19.507 -20.076 27.976 1.00 64.24 ATOM 619 CE2 PHE 40 16.793 -20.589 26.042 1.00 74.54 ATOM 620 HE2 PHE 40 15.729 -20.395 26.022 1.00 15.01 ATOM 621 CZ PHE 40 17.553 -20.161 27.113 1.00 43.32 ATOM 622 HZ PHE 40 17.083 -19.632 27.931 1.00 2.40 ATOM 623 C PHE 40 18.545 -24.482 24.650 1.00 44.21 ATOM 624 O PHE 40 18.368 -24.700 25.852 1.00 62.03 ATOM 625 N LEU 41 17.687 -24.886 23.710 1.00 23.24 ATOM 626 HN LEU 41 17.850 -24.633 22.776 1.00 38.98 ATOM 627 CA LEU 41 16.505 -25.693 24.036 1.00 55.53 ATOM 628 HA LEU 41 15.902 -25.122 24.729 1.00 33.23 ATOM 629 CB LEU 41 15.673 -25.977 22.774 1.00 23.42 ATOM 630 HB1 LEU 41 14.935 -26.729 23.015 1.00 38.98 ATOM 631 HB2 LEU 41 16.334 -26.380 22.019 1.00 24.34 ATOM 632 CG LEU 41 14.941 -24.765 22.177 1.00 3.00 ATOM 633 HG LEU 41 15.665 -23.997 21.940 1.00 4.34 ATOM 634 CD1 LEU 41 14.226 -25.147 20.880 1.00 61.15 ATOM 635 HD11 LEU 41 13.725 -24.280 20.473 1.00 11.00 ATOM 636 HD12 LEU 41 13.499 -25.921 21.082 1.00 13.51 ATOM 637 HD13 LEU 41 14.949 -25.512 20.164 1.00 74.40 ATOM 638 CD2 LEU 41 13.955 -24.188 23.189 1.00 31.32 ATOM 639 HD21 LEU 41 14.490 -23.875 24.074 1.00 44.41 ATOM 640 HD22 LEU 41 13.228 -24.942 23.455 1.00 45.35 ATOM 641 HD23 LEU 41 13.449 -23.337 22.756 1.00 34.15 ATOM 642 C LEU 41 16.900 -27.017 24.710 1.00 43.21 ATOM 643 O LEU 41 16.450 -27.311 25.813 1.00 11.15 ATOM 644 N GLN 42 17.757 -27.798 24.050 1.00 10.13 ATOM 645 HN GLN 42 18.108 -27.493 23.185 1.00 38.98 ATOM 646 CA GLN 42 18.193 -29.101 24.578 1.00 1.15 ATOM 647 HA GLN 42 17.325 -29.747 24.604 1.00 24.23 ATOM 648 CB GLN 42 19.243 -29.726 23.635 1.00 73.55 ATOM 649 HB1 GLN 42 20.112 -29.082 23.612 1.00 38.98 ATOM 650 HB2 GLN 42 18.824 -29.773 22.639 1.00 74.14 ATOM 651 CG GLN 42 19.703 -31.139 24.022 1.00 15.01 ATOM 652 HG1 GLN 42 20.112 -31.623 23.145 1.00 38.98 ATOM 653 HG2 GLN 42 18.846 -31.699 24.366 1.00 21.55 ATOM 654 CD GLN 42 20.761 -31.160 25.119 1.00 41.23 ATOM 655 OE1 GLN 42 21.555 -30.235 25.252 1.00 1.50 ATOM 656 NE2 GLN 42 20.783 -32.212 25.912 1.00 1.45 ATOM 657 HE21 GLN 42 20.127 -32.923 25.759 1.00 3.22 ATOM 658 HE22 GLN 42 21.459 -32.240 26.619 1.00 33.32 ATOM 659 C GLN 42 18.747 -28.974 26.010 1.00 14.41 ATOM 660 O GLN 42 18.321 -29.694 26.915 1.00 12.31 ATOM 661 N ALA 43 19.680 -28.044 26.214 1.00 43.31 ATOM 662 HN ALA 43 19.969 -27.486 25.457 1.00 38.98 ATOM 663 CA ALA 43 20.293 -27.833 27.533 1.00 54.04 ATOM 664 HA ALA 43 20.764 -28.762 27.829 1.00 44.25 ATOM 665 CB ALA 43 21.382 -26.766 27.438 1.00 32.20 ATOM 666 HB1 ALA 43 22.094 -27.046 26.677 1.00 41.41 ATOM 667 HB2 ALA 43 21.888 -26.678 28.389 1.00 4.53 ATOM 668 HB3 ALA 43 20.936 -25.815 27.180 1.00 10.34 ATOM 669 C ALA 43 19.255 -27.444 28.603 1.00 22.22 ATOM 670 O ALA 43 19.370 -27.836 29.768 1.00 23.01 ATOM 671 N SER 44 18.244 -26.677 28.202 1.00 52.31 ATOM 672 HN SER 44 18.197 -26.409 27.257 1.00 38.98 ATOM 673 CA SER 44 17.200 -26.212 29.133 1.00 3.12 ATOM 674 HA SER 44 17.678 -25.987 30.076 1.00 74.03 ATOM 675 CB SER 44 16.540 -24.932 28.599 1.00 2.44 ATOM 676 HB1 SER 44 15.766 -24.616 29.282 1.00 38.98 ATOM 677 HB2 SER 44 16.103 -25.133 27.632 1.00 5.43 ATOM 678 OG SER 44 17.485 -23.878 28.461 1.00 53.43 ATOM 679 HG SER 44 17.945 -23.973 27.616 1.00 61.51 ATOM 680 C SER 44 16.119 -27.280 29.375 1.00 15.22 ATOM 681 O SER 44 15.579 -27.394 30.476 1.00 11.03 ATOM 682 N LEU 45 15.808 -28.057 28.340 1.00 34.41 ATOM 683 HN LEU 45 16.309 -27.952 27.504 1.00 38.98 ATOM 684 CA LEU 45 14.738 -29.066 28.403 1.00 4.12 ATOM 685 HA LEU 45 13.983 -28.709 29.089 1.00 74.01 ATOM 686 CB LEU 45 14.102 -29.242 27.014 1.00 32.15 ATOM 687 HB1 LEU 45 13.308 -29.972 27.096 1.00 38.98 ATOM 688 HB2 LEU 45 14.857 -29.635 26.345 1.00 10.42 ATOM 689 CG LEU 45 13.516 -27.967 26.383 1.00 42.15 ATOM 690 HG LEU 45 14.302 -27.228 26.291 1.00 71.24 ATOM 691 CD1 LEU 45 12.981 -28.252 24.981 1.00 54.10 ATOM 692 HD11 LEU 45 13.786 -28.607 24.352 1.00 43.34 ATOM 693 HD12 LEU 45 12.572 -27.345 24.559 1.00 31.01 ATOM 694 HD13 LEU 45 12.206 -29.005 25.034 1.00 14.42 ATOM 695 CD2 LEU 45 12.421 -27.381 27.268 1.00 24.41 ATOM 696 HD21 LEU 45 11.616 -28.096 27.372 1.00 33.22 ATOM 697 HD22 LEU 45 12.041 -26.474 26.821 1.00 43.00 ATOM 698 HD23 LEU 45 12.828 -27.156 28.242 1.00 33.32 ATOM 699 C LEU 45 15.256 -30.427 28.903 1.00 65.23 ATOM 700 O LEU 45 14.468 -31.302 29.255 1.00 54.33 ATOM 701 N LYS 46 16.581 -30.583 28.935 1.00 23.21 ATOM 702 HN LYS 46 17.145 -29.820 28.688 1.00 38.98 ATOM 703 CA LYS 46 17.238 -31.855 29.299 1.00 13.23 ATOM 704 HA LYS 46 17.135 -32.531 28.464 1.00 11.10 ATOM 705 CB LYS 46 18.733 -31.605 29.550 1.00 43.25 ATOM 706 HB1 LYS 46 18.843 -31.047 30.471 1.00 38.98 ATOM 707 HB2 LYS 46 19.130 -31.014 28.735 1.00 34.42 ATOM 708 CG LYS 46 19.562 -32.881 29.663 1.00 41.55 ATOM 709 HG1 LYS 46 19.633 -33.336 28.685 1.00 38.98 ATOM 710 HG2 LYS 46 19.063 -33.563 30.337 1.00 51.13 ATOM 711 CD LYS 46 20.973 -32.619 30.189 1.00 65.40 ATOM 712 HD1 LYS 46 21.359 -31.722 29.725 1.00 38.98 ATOM 713 HD2 LYS 46 21.602 -33.456 29.923 1.00 23.50 ATOM 714 CE LYS 46 21.006 -32.446 31.709 1.00 72.24 ATOM 715 HE1 LYS 46 22.035 -32.487 32.036 1.00 38.98 ATOM 716 HE2 LYS 46 20.460 -33.260 32.161 1.00 14.43 ATOM 717 NZ LYS 46 20.408 -31.163 32.169 1.00 14.10 ATOM 718 HZ1 LYS 46 20.522 -31.065 33.199 1.00 30.32 ATOM 719 HZ2 LYS 46 19.393 -31.131 31.948 1.00 54.33 ATOM 720 HZ3 LYS 46 20.877 -30.362 31.706 1.00 2.12 ATOM 721 C LYS 46 16.630 -32.516 30.554 1.00 70.20 ATOM 722 O LYS 46 16.464 -33.734 30.612 1.00 63.05 ATOM 723 N ASP 47 16.313 -31.702 31.554 1.00 63.33 ATOM 724 HN ASP 47 16.389 -30.734 31.420 1.00 38.98 ATOM 725 CA ASP 47 15.864 -32.206 32.857 1.00 22.24 ATOM 726 HA ASP 47 16.369 -33.144 33.040 1.00 64.12 ATOM 727 CB ASP 47 16.283 -31.209 33.937 1.00 44.42 ATOM 728 HB1 ASP 47 16.077 -31.629 34.912 1.00 38.98 ATOM 729 HB2 ASP 47 15.723 -30.291 33.816 1.00 11.45 ATOM 730 CG ASP 47 17.766 -30.890 33.847 1.00 21.13 ATOM 731 OD1 ASP 47 18.561 -31.491 34.599 1.00 33.23 ATOM 732 OD2 ASP 47 18.148 -30.070 32.983 1.00 74.54 ATOM 733 C ASP 47 14.344 -32.456 32.904 1.00 14.31 ATOM 734 O ASP 47 13.806 -32.846 33.942 1.00 41.43 ATOM 735 N GLY 48 13.657 -32.221 31.788 1.00 75.11 ATOM 736 HN GLY 48 14.131 -31.866 31.006 1.00 38.98 ATOM 737 CA GLY 48 12.224 -32.506 31.694 1.00 3.24 ATOM 738 HA1 GLY 48 12.035 -33.470 32.146 1.00 38.98 ATOM 739 HA2 GLY 48 11.959 -32.562 30.649 1.00 34.11 ATOM 740 C GLY 48 11.320 -31.469 32.368 1.00 20.42 ATOM 741 O GLY 48 10.229 -31.186 31.874 1.00 75.12 ATOM 742 N VAL 49 11.774 -30.901 33.489 1.00 11.41 ATOM 743 HN VAL 49 12.671 -31.137 33.802 1.00 38.98 ATOM 744 CA VAL 49 10.973 -29.951 34.286 1.00 3.11 ATOM 745 HA VAL 49 10.217 -30.522 34.805 1.00 72.43 ATOM 746 CB VAL 49 11.848 -29.239 35.352 1.00 14.33 ATOM 747 HB VAL 49 12.579 -28.631 34.836 1.00 54.43 ATOM 748 CG1 VAL 49 11.001 -28.313 36.228 1.00 21.21 ATOM 749 HG11 VAL 49 10.230 -28.887 36.722 1.00 4.21 ATOM 750 HG12 VAL 49 10.543 -27.551 35.612 1.00 32.54 ATOM 751 HG13 VAL 49 11.629 -27.843 36.970 1.00 13.34 ATOM 752 CG2 VAL 49 12.600 -30.259 36.209 1.00 2.51 ATOM 753 HG21 VAL 49 13.248 -30.852 35.579 1.00 61.42 ATOM 754 HG22 VAL 49 11.893 -30.907 36.707 1.00 3.34 ATOM 755 HG23 VAL 49 13.194 -29.742 36.949 1.00 61.43 ATOM 756 C VAL 49 10.271 -28.882 33.422 1.00 35.23 ATOM 757 O VAL 49 9.071 -28.636 33.575 1.00 63.44 ATOM 758 N VAL 50 11.018 -28.250 32.516 1.00 60.34 ATOM 759 HN VAL 50 11.968 -28.470 32.446 1.00 38.98 ATOM 760 CA VAL 50 10.450 -27.226 31.626 1.00 64.13 ATOM 761 HA VAL 50 10.033 -26.446 32.249 1.00 60.42 ATOM 762 CB VAL 50 11.539 -26.593 30.722 1.00 31.35 ATOM 763 HB VAL 50 11.934 -27.368 30.077 1.00 73.31 ATOM 764 CG1 VAL 50 10.948 -25.494 29.835 1.00 53.31 ATOM 765 HG11 VAL 50 11.729 -25.063 29.223 1.00 13.11 ATOM 766 HG12 VAL 50 10.512 -24.725 30.455 1.00 42.14 ATOM 767 HG13 VAL 50 10.186 -25.916 29.196 1.00 61.30 ATOM 768 CG2 VAL 50 12.690 -26.047 31.565 1.00 70.53 ATOM 769 HG21 VAL 50 12.318 -25.287 32.237 1.00 33.01 ATOM 770 HG22 VAL 50 13.441 -25.616 30.917 1.00 25.14 ATOM 771 HG23 VAL 50 13.129 -26.849 32.139 1.00 74.24 ATOM 772 C VAL 50 9.324 -27.803 30.745 1.00 63.54 ATOM 773 O VAL 50 8.297 -27.158 30.528 1.00 2.40 ATOM 774 N LEU 51 9.518 -29.028 30.257 1.00 12.12 ATOM 775 HN LEU 51 10.355 -29.495 30.459 1.00 38.98 ATOM 776 CA LEU 51 8.503 -29.707 29.441 1.00 42.32 ATOM 777 HA LEU 51 8.224 -29.040 28.637 1.00 61.53 ATOM 778 CB LEU 51 9.069 -31.001 28.839 1.00 44.42 ATOM 779 HB1 LEU 51 8.260 -31.532 28.357 1.00 38.98 ATOM 780 HB2 LEU 51 9.443 -31.613 29.649 1.00 44.43 ATOM 781 CG LEU 51 10.197 -30.818 27.813 1.00 62.53 ATOM 782 HG LEU 51 11.036 -30.333 28.293 1.00 23.10 ATOM 783 CD1 LEU 51 10.671 -32.173 27.295 1.00 71.34 ATOM 784 HD11 LEU 51 11.472 -32.027 26.586 1.00 14.33 ATOM 785 HD12 LEU 51 9.851 -32.683 26.810 1.00 2.14 ATOM 786 HD13 LEU 51 11.028 -32.771 28.121 1.00 71.25 ATOM 787 CD2 LEU 51 9.735 -29.930 26.658 1.00 41.42 ATOM 788 HD21 LEU 51 9.429 -28.967 27.040 1.00 3.32 ATOM 789 HD22 LEU 51 8.901 -30.396 26.152 1.00 50.55 ATOM 790 HD23 LEU 51 10.548 -29.795 25.959 1.00 64.23 ATOM 791 C LEU 51 7.251 -30.029 30.269 1.00 2.02 ATOM 792 O LEU 51 6.128 -29.965 29.770 1.00 15.22 ATOM 793 N CYS 52 7.452 -30.382 31.537 1.00 52.33 ATOM 794 HN CYS 52 8.372 -30.474 31.866 1.00 38.98 ATOM 795 CA CYS 52 6.336 -30.652 32.446 1.00 64.24 ATOM 796 HA CYS 52 5.739 -31.440 32.008 1.00 42.22 ATOM 797 CB CYS 52 6.856 -31.124 33.807 1.00 25.32 ATOM 798 HB1 CYS 52 6.014 -31.401 34.429 1.00 38.98 ATOM 799 HB2 CYS 52 7.394 -30.317 34.281 1.00 4.32 ATOM 800 SG CYS 52 7.971 -32.549 33.715 1.00 61.31 ATOM 801 HG CYS 52 7.429 -33.444 32.899 1.00 23.35 ATOM 802 C CYS 52 5.455 -29.405 32.615 1.00 34.20 ATOM 803 O CYS 52 4.234 -29.474 32.474 1.00 54.13 ATOM 804 N ARG 53 6.082 -28.262 32.906 1.00 20.24 ATOM 805 HN ARG 53 7.047 -28.279 33.086 1.00 38.98 ATOM 806 CA ARG 53 5.363 -26.984 32.964 1.00 41.40 ATOM 807 HA ARG 53 4.605 -27.067 33.732 1.00 1.42 ATOM 808 CB ARG 53 6.317 -25.832 33.326 1.00 62.01 ATOM 809 HB1 ARG 53 5.799 -24.893 33.180 1.00 38.98 ATOM 810 HB2 ARG 53 7.168 -25.867 32.662 1.00 50.33 ATOM 811 CG ARG 53 6.832 -25.873 34.763 1.00 23.13 ATOM 812 HG1 ARG 53 7.417 -26.773 34.900 1.00 38.98 ATOM 813 HG2 ARG 53 5.988 -25.888 35.438 1.00 52.35 ATOM 814 CD ARG 53 7.705 -24.660 35.090 1.00 1.33 ATOM 815 HD1 ARG 53 7.157 -23.760 34.846 1.00 38.98 ATOM 816 HD2 ARG 53 8.603 -24.705 34.491 1.00 43.32 ATOM 817 NE ARG 53 8.082 -24.613 36.503 1.00 12.30 ATOM 818 HE ARG 53 7.657 -25.261 37.104 1.00 14.20 ATOM 819 CZ ARG 53 8.937 -23.762 37.011 1.00 34.53 ATOM 820 NH1 ARG 53 9.503 -22.866 36.265 1.00 1.31 ATOM 821 HH11 ARG 53 9.285 -22.816 35.291 1.00 63.25 ATOM 822 HH12 ARG 53 10.148 -22.220 36.663 1.00 12.03 ATOM 823 NH2 ARG 53 9.202 -23.792 38.275 1.00 52.00 ATOM 824 HH21 ARG 53 8.749 -24.460 38.865 1.00 24.00 ATOM 825 HH22 ARG 53 9.850 -23.144 38.664 1.00 51.20 ATOM 826 C ARG 53 4.674 -26.689 31.623 1.00 74.34 ATOM 827 O ARG 53 3.515 -26.276 31.585 1.00 33.12 ATOM 828 N LEU 54 5.402 -26.918 30.529 1.00 43.21 ATOM 829 HN LEU 54 6.330 -27.220 30.636 1.00 38.98 ATOM 830 CA LEU 54 4.873 -26.730 29.171 1.00 21.41 ATOM 831 HA LEU 54 4.714 -25.673 29.021 1.00 63.01 ATOM 832 CB LEU 54 5.905 -27.227 28.147 1.00 20.35 ATOM 833 HB1 LEU 54 6.122 -28.263 28.368 1.00 38.98 ATOM 834 HB2 LEU 54 6.813 -26.655 28.283 1.00 34.33 ATOM 835 CG LEU 54 5.491 -27.127 26.670 1.00 41.43 ATOM 836 HG LEU 54 4.593 -27.711 26.513 1.00 25.24 ATOM 837 CD1 LEU 54 5.180 -25.682 26.293 1.00 63.11 ATOM 838 HD11 LEU 54 6.053 -25.068 26.464 1.00 15.02 ATOM 839 HD12 LEU 54 4.362 -25.319 26.899 1.00 44.23 ATOM 840 HD13 LEU 54 4.902 -25.631 25.250 1.00 22.20 ATOM 841 CD2 LEU 54 6.585 -27.697 25.767 1.00 73.22 ATOM 842 HD21 LEU 54 6.269 -27.641 24.735 1.00 41.00 ATOM 843 HD22 LEU 54 6.770 -28.728 26.029 1.00 13.14 ATOM 844 HD23 LEU 54 7.494 -27.126 25.894 1.00 24.22 ATOM 845 C LEU 54 3.537 -27.462 28.977 1.00 41.00 ATOM 846 O LEU 54 2.538 -26.864 28.571 1.00 32.12 ATOM 847 N LEU 55 3.523 -28.754 29.289 1.00 20.24 ATOM 848 HN LEU 55 4.346 -29.175 29.620 1.00 38.98 ATOM 849 CA LEU 55 2.315 -29.567 29.144 1.00 51.44 ATOM 850 HA LEU 55 1.952 -29.430 28.134 1.00 32.15 ATOM 851 CB LEU 55 2.653 -31.053 29.346 1.00 52.43 ATOM 852 HB1 LEU 55 2.941 -31.197 30.379 1.00 38.98 ATOM 853 HB2 LEU 55 3.503 -31.295 28.720 1.00 62.22 ATOM 854 CG LEU 55 1.518 -32.039 29.020 1.00 73.23 ATOM 855 HG LEU 55 0.673 -31.826 29.660 1.00 13.25 ATOM 856 CD1 LEU 55 1.056 -31.884 27.571 1.00 61.25 ATOM 857 HD11 LEU 55 0.680 -30.883 27.417 1.00 64.15 ATOM 858 HD12 LEU 55 0.269 -32.597 27.364 1.00 1.24 ATOM 859 HD13 LEU 55 1.887 -32.062 26.903 1.00 31.12 ATOM 860 CD2 LEU 55 1.960 -33.474 29.290 1.00 42.53 ATOM 861 HD21 LEU 55 2.228 -33.578 30.331 1.00 62.44 ATOM 862 HD22 LEU 55 2.815 -33.712 28.673 1.00 3.54 ATOM 863 HD23 LEU 55 1.150 -34.150 29.058 1.00 30.24 ATOM 864 C LEU 55 1.212 -29.122 30.124 1.00 53.32 ATOM 865 O LEU 55 0.033 -29.154 29.791 1.00 0.33 ATOM 866 N GLU 56 1.603 -28.684 31.322 1.00 24.24 ATOM 867 HN GLU 56 2.561 -28.675 31.536 1.00 38.98 ATOM 868 CA GLU 56 0.635 -28.234 32.341 1.00 0.15 ATOM 869 HA GLU 56 -0.164 -28.960 32.370 1.00 22.41 ATOM 870 CB GLU 56 1.300 -28.187 33.725 1.00 60.14 ATOM 871 HB1 GLU 56 0.628 -27.702 34.421 1.00 38.98 ATOM 872 HB2 GLU 56 2.208 -27.605 33.655 1.00 42.11 ATOM 873 CG GLU 56 1.658 -29.561 34.288 1.00 22.01 ATOM 874 HG1 GLU 56 2.272 -29.423 35.168 1.00 38.98 ATOM 875 HG2 GLU 56 2.225 -30.101 33.543 1.00 22.12 ATOM 876 CD GLU 56 0.439 -30.395 34.667 1.00 75.12 ATOM 877 OE1 GLU 56 -0.161 -31.029 33.777 1.00 63.13 ATOM 878 OE2 GLU 56 0.079 -30.421 35.863 1.00 1.21 ATOM 879 C GLU 56 0.021 -26.859 32.008 1.00 74.13 ATOM 880 O GLU 56 -1.023 -26.492 32.553 1.00 1.15 ATOM 881 N ARG 57 0.675 -26.090 31.138 1.00 31.22 ATOM 882 HN ARG 57 1.540 -26.398 30.786 1.00 38.98 ATOM 883 CA ARG 57 0.141 -24.789 30.701 1.00 21.33 ATOM 884 HA ARG 57 -0.416 -24.368 31.527 1.00 45.13 ATOM 885 CB ARG 57 1.291 -23.834 30.343 1.00 64.15 ATOM 886 HB1 ARG 57 0.877 -22.927 29.924 1.00 38.98 ATOM 887 HB2 ARG 57 1.921 -24.307 29.602 1.00 40.13 ATOM 888 CG ARG 57 2.163 -23.453 31.537 1.00 2.25 ATOM 889 HG1 ARG 57 3.020 -22.899 31.182 1.00 38.98 ATOM 890 HG2 ARG 57 2.498 -24.355 32.029 1.00 63.23 ATOM 891 CD ARG 57 1.405 -22.597 32.546 1.00 44.53 ATOM 892 HD1 ARG 57 2.013 -22.486 33.433 1.00 38.98 ATOM 893 HD2 ARG 57 0.482 -23.098 32.805 1.00 62.40 ATOM 894 NE ARG 57 1.096 -21.269 32.014 1.00 41.22 ATOM 895 HE ARG 57 1.765 -20.850 31.433 1.00 12.51 ATOM 896 CZ ARG 57 0.007 -20.597 32.285 1.00 30.02 ATOM 897 NH1 ARG 57 -0.922 -21.108 33.033 1.00 24.53 ATOM 898 HH11 ARG 57 -0.813 -22.025 33.411 1.00 64.35 ATOM 899 HH12 ARG 57 -1.744 -20.581 33.232 1.00 0.11 ATOM 900 NH2 ARG 57 -0.151 -19.409 31.801 1.00 52.14 ATOM 901 HH21 ARG 57 0.557 -19.008 31.222 1.00 21.44 ATOM 902 HH22 ARG 57 -0.974 -18.887 32.019 1.00 24.41 ATOM 903 C ARG 57 -0.812 -24.948 29.505 1.00 43.40 ATOM 904 O ARG 57 -1.595 -24.048 29.192 1.00 70.40 ATOM 905 N LEU 58 -0.731 -26.099 28.842 1.00 60.50 ATOM 906 HN LEU 58 -0.058 -26.754 29.122 1.00 38.98 ATOM 907 CA LEU 58 -1.602 -26.422 27.705 1.00 71.34 ATOM 908 HA LEU 58 -2.050 -25.505 27.349 1.00 24.13 ATOM 909 CB LEU 58 -0.761 -27.040 26.580 1.00 72.51 ATOM 910 HB1 LEU 58 -1.404 -27.216 25.730 1.00 38.98 ATOM 911 HB2 LEU 58 -0.382 -27.993 26.926 1.00 75.14 ATOM 912 CG LEU 58 0.432 -26.183 26.116 1.00 52.24 ATOM 913 HG LEU 58 1.045 -25.947 26.975 1.00 24.00 ATOM 914 CD1 LEU 58 1.302 -26.952 25.127 1.00 14.23 ATOM 915 HD11 LEU 58 1.640 -27.871 25.585 1.00 70.41 ATOM 916 HD12 LEU 58 2.159 -26.352 24.856 1.00 61.12 ATOM 917 HD13 LEU 58 0.729 -27.183 24.241 1.00 1.10 ATOM 918 CD2 LEU 58 -0.051 -24.864 25.508 1.00 34.34 ATOM 919 HD21 LEU 58 -0.672 -25.067 24.647 1.00 73.44 ATOM 920 HD22 LEU 58 0.801 -24.273 25.205 1.00 42.44 ATOM 921 HD23 LEU 58 -0.622 -24.315 26.242 1.00 61.31 ATOM 922 C LEU 58 -2.721 -27.393 28.131 1.00 12.05 ATOM 923 O LEU 58 -3.907 -27.131 27.927 1.00 3.40 ATOM 924 N LEU 59 -2.319 -28.526 28.706 1.00 40.13 ATOM 925 HN LEU 59 -1.363 -28.731 28.718 1.00 38.98 ATOM 926 CA LEU 59 -3.249 -29.492 29.310 1.00 73.24 ATOM 927 HA LEU 59 -4.261 -29.186 29.077 1.00 60.12 ATOM 928 CB LEU 59 -3.000 -30.896 28.733 1.00 61.54 ATOM 929 HB1 LEU 59 -3.663 -31.589 29.232 1.00 38.98 ATOM 930 HB2 LEU 59 -1.980 -31.178 28.963 1.00 32.21 ATOM 931 CG LEU 59 -3.207 -31.045 27.216 1.00 72.32 ATOM 932 HG LEU 59 -2.604 -30.309 26.703 1.00 32.51 ATOM 933 CD1 LEU 59 -2.761 -32.428 26.744 1.00 55.30 ATOM 934 HD11 LEU 59 -3.333 -33.190 27.255 1.00 72.01 ATOM 935 HD12 LEU 59 -1.710 -32.563 26.960 1.00 61.22 ATOM 936 HD13 LEU 59 -2.920 -32.515 25.678 1.00 55.44 ATOM 937 CD2 LEU 59 -4.667 -30.799 26.848 1.00 30.34 ATOM 938 HD21 LEU 59 -5.293 -31.532 27.338 1.00 3.31 ATOM 939 HD22 LEU 59 -4.787 -30.882 25.778 1.00 31.14 ATOM 940 HD23 LEU 59 -4.958 -29.808 27.165 1.00 51.11 ATOM 941 C LEU 59 -3.070 -29.522 30.844 1.00 32.52 ATOM 942 O LEU 59 -2.342 -30.365 31.374 1.00 54.44 ATOM 943 N PRO 60 -3.729 -28.601 31.577 1.00 75.34 ATOM 944 CA PRO 60 -3.520 -28.443 33.031 1.00 22.11 ATOM 945 HA PRO 60 -2.477 -28.263 33.253 1.00 4.11 ATOM 946 CB PRO 60 -4.332 -27.184 33.371 1.00 65.22 ATOM 947 HB1 PRO 60 -3.683 -26.319 33.357 1.00 38.98 ATOM 948 HB2 PRO 60 -4.776 -27.288 34.352 1.00 51.35 ATOM 949 CG PRO 60 -5.372 -27.100 32.305 1.00 22.10 ATOM 950 HG1 PRO 60 -5.664 -26.070 32.155 1.00 38.98 ATOM 951 HG2 PRO 60 -6.232 -27.696 32.582 1.00 54.42 ATOM 952 CD PRO 60 -4.732 -27.649 31.058 1.00 75.32 ATOM 953 HD1 PRO 60 -4.256 -26.858 30.496 1.00 38.98 ATOM 954 HD2 PRO 60 -5.467 -28.156 30.447 1.00 54.24 ATOM 955 C PRO 60 -4.005 -29.647 33.860 1.00 13.53 ATOM 956 O PRO 60 -5.209 -29.857 34.035 1.00 5.21 ATOM 957 N GLY 61 -3.061 -30.436 34.375 1.00 43.54 ATOM 958 HN GLY 61 -2.116 -30.243 34.181 1.00 38.98 ATOM 959 CA GLY 61 -3.407 -31.581 35.216 1.00 5.41 ATOM 960 HA1 GLY 61 -4.465 -31.545 35.443 1.00 38.98 ATOM 961 HA2 GLY 61 -2.855 -31.508 36.140 1.00 54.10 ATOM 962 C GLY 61 -3.091 -32.924 34.568 1.00 60.23 ATOM 963 O GLY 61 -3.670 -33.949 34.931 1.00 4.23 ATOM 964 N THR 62 -2.170 -32.921 33.612 1.00 74.44 ATOM 965 HN THR 62 -1.745 -32.071 33.365 1.00 38.98 ATOM 966 CA THR 62 -1.775 -34.146 32.907 1.00 41.32 ATOM 967 HA THR 62 -2.600 -34.846 32.962 1.00 31.44 ATOM 968 CB THR 62 -1.486 -33.860 31.417 1.00 51.23 ATOM 969 HB THR 62 -0.620 -33.216 31.349 1.00 25.03 ATOM 970 OG1 THR 62 -2.607 -33.194 30.821 1.00 54.21 ATOM 971 HG1 THR 62 -2.532 -32.246 30.977 1.00 73.52 ATOM 972 CG2 THR 62 -1.199 -35.145 30.652 1.00 75.22 ATOM 973 HG21 THR 62 -1.015 -34.913 29.614 1.00 10.03 ATOM 974 HG22 THR 62 -2.049 -35.809 30.726 1.00 62.32 ATOM 975 HG23 THR 62 -0.329 -35.630 31.073 1.00 4.10 ATOM 976 C THR 62 -0.533 -34.792 33.540 1.00 42.22 ATOM 977 O THR 62 -0.440 -36.018 33.638 1.00 43.10 ATOM 978 N ILE 63 0.422 -33.964 33.962 1.00 74.41 ATOM 979 HN ILE 63 0.304 -32.995 33.837 1.00 38.98 ATOM 980 CA ILE 63 1.638 -34.457 34.622 1.00 64.23 ATOM 981 HA ILE 63 2.054 -35.251 34.014 1.00 1.15 ATOM 982 CB ILE 63 2.702 -33.334 34.760 1.00 4.02 ATOM 983 HB ILE 63 2.282 -32.552 35.378 1.00 12.24 ATOM 984 CG1 ILE 63 3.054 -32.743 33.383 1.00 61.30 ATOM 985 HG11 ILE 63 3.737 -31.915 33.517 1.00 38.98 ATOM 986 HG12 ILE 63 2.152 -32.381 32.911 1.00 51.01 ATOM 987 CG2 ILE 63 3.958 -33.857 35.462 1.00 2.13 ATOM 988 HG21 ILE 63 3.703 -34.192 36.457 1.00 11.41 ATOM 989 HG22 ILE 63 4.694 -33.068 35.526 1.00 32.43 ATOM 990 HG23 ILE 63 4.367 -34.685 34.899 1.00 11.13 ATOM 991 CD1 ILE 63 3.702 -33.727 32.435 1.00 3.30 ATOM 992 HD11 ILE 63 3.892 -33.242 31.489 1.00 61.14 ATOM 993 HD12 ILE 63 3.043 -34.570 32.283 1.00 63.32 ATOM 994 HD13 ILE 63 4.636 -34.071 32.857 1.00 51.31 ATOM 995 C ILE 63 1.307 -35.011 36.016 1.00 62.34 ATOM 996 O ILE 63 0.923 -34.258 36.914 1.00 45.54 ATOM 997 N GLU 64 1.461 -36.322 36.197 1.00 61.41 ATOM 998 HN GLU 64 1.848 -36.863 35.474 1.00 38.98 ATOM 999 CA GLU 64 1.084 -36.974 37.455 1.00 41.44 ATOM 1000 HA GLU 64 0.114 -36.587 37.739 1.00 70.40 ATOM 1001 CB GLU 64 0.963 -38.492 37.255 1.00 61.44 ATOM 1002 HB1 GLU 64 1.925 -38.883 36.949 1.00 38.98 ATOM 1003 HB2 GLU 64 0.244 -38.683 36.469 1.00 30.03 ATOM 1004 CG GLU 64 0.516 -39.244 38.502 1.00 20.43 ATOM 1005 HG1 GLU 64 -0.341 -38.737 38.926 1.00 38.98 ATOM 1006 HG2 GLU 64 1.324 -39.237 39.221 1.00 2.53 ATOM 1007 CD GLU 64 0.137 -40.685 38.208 1.00 62.21 ATOM 1008 OE1 GLU 64 1.044 -41.533 38.096 1.00 51.42 ATOM 1009 OE2 GLU 64 -1.075 -40.971 38.088 1.00 40.33 ATOM 1010 C GLU 64 2.080 -36.646 38.578 1.00 63.40 ATOM 1011 O GLU 64 1.680 -36.346 39.705 1.00 21.34 ATOM 1012 N LYS 65 3.373 -36.709 38.274 1.00 32.12 ATOM 1013 HN LYS 65 3.643 -37.064 37.396 1.00 38.98 ATOM 1014 CA LYS 65 4.403 -36.261 39.219 1.00 41.23 ATOM 1015 HA LYS 65 4.000 -35.405 39.748 1.00 52.40 ATOM 1016 CB LYS 65 4.748 -37.349 40.250 1.00 75.24 ATOM 1017 HB1 LYS 65 5.085 -38.234 39.730 1.00 38.98 ATOM 1018 HB2 LYS 65 3.859 -37.588 40.818 1.00 75.35 ATOM 1019 CG LYS 65 5.846 -36.912 41.224 1.00 62.42 ATOM 1020 HG1 LYS 65 5.559 -35.970 41.670 1.00 38.98 ATOM 1021 HG2 LYS 65 6.766 -36.779 40.671 1.00 53.51 ATOM 1022 CD LYS 65 6.088 -37.931 42.333 1.00 64.40 ATOM 1023 HD1 LYS 65 6.342 -38.882 41.886 1.00 38.98 ATOM 1024 HD2 LYS 65 5.183 -38.037 42.913 1.00 20.01 ATOM 1025 CE LYS 65 7.222 -37.501 43.263 1.00 44.23 ATOM 1026 HE1 LYS 65 8.136 -37.433 42.690 1.00 38.98 ATOM 1027 HE2 LYS 65 7.339 -38.250 44.033 1.00 32.32 ATOM 1028 NZ LYS 65 6.958 -36.185 43.913 1.00 41.44 ATOM 1029 HZ1 LYS 65 6.066 -36.221 44.443 1.00 10.54 ATOM 1030 HZ2 LYS 65 6.891 -35.432 43.200 1.00 43.45 ATOM 1031 HZ3 LYS 65 7.728 -35.949 44.575 1.00 61.40 ATOM 1032 C LYS 65 5.681 -35.814 38.499 1.00 4.01 ATOM 1033 O LYS 65 6.253 -36.554 37.696 1.00 62.01 ATOM 1034 N VAL 66 6.129 -34.603 38.815 1.00 42.02 ATOM 1035 HN VAL 66 5.612 -34.060 39.447 1.00 38.98 ATOM 1036 CA VAL 66 7.369 -34.054 38.265 1.00 72.23 ATOM 1037 HA VAL 66 7.771 -34.766 37.554 1.00 31.12 ATOM 1038 CB VAL 66 7.114 -32.714 37.524 1.00 4.44 ATOM 1039 HB VAL 66 6.413 -32.900 36.721 1.00 55.20 ATOM 1040 CG1 VAL 66 6.492 -31.682 38.464 1.00 23.55 ATOM 1041 HG11 VAL 66 7.169 -31.485 39.283 1.00 34.50 ATOM 1042 HG12 VAL 66 5.559 -32.065 38.855 1.00 33.13 ATOM 1043 HG13 VAL 66 6.303 -30.764 37.925 1.00 61.32 ATOM 1044 CG2 VAL 66 8.410 -32.180 36.909 1.00 23.52 ATOM 1045 HG21 VAL 66 8.821 -32.920 36.236 1.00 60.23 ATOM 1046 HG22 VAL 66 9.126 -31.972 37.692 1.00 43.11 ATOM 1047 HG23 VAL 66 8.205 -31.272 36.360 1.00 3.12 ATOM 1048 C VAL 66 8.404 -33.823 39.375 1.00 65.34 ATOM 1049 O VAL 66 8.053 -33.492 40.509 1.00 54.30 ATOM 1050 N TYR 67 9.672 -34.015 39.045 1.00 3.35 ATOM 1051 HN TYR 67 9.880 -34.362 38.155 1.00 38.98 ATOM 1052 CA TYR 67 10.767 -33.727 39.966 1.00 42.31 ATOM 1053 HA TYR 67 10.377 -33.747 40.975 1.00 5.51 ATOM 1054 CB TYR 67 11.868 -34.791 39.833 1.00 11.53 ATOM 1055 HB1 TYR 67 12.649 -34.582 40.553 1.00 38.98 ATOM 1056 HB2 TYR 67 12.285 -34.742 38.837 1.00 52.43 ATOM 1057 CG TYR 67 11.387 -36.213 40.066 1.00 71.04 ATOM 1058 CD1 TYR 67 10.801 -36.948 39.040 1.00 31.35 ATOM 1059 HD1 TYR 67 10.682 -36.489 38.068 1.00 34.43 ATOM 1060 CD2 TYR 67 11.524 -36.822 41.308 1.00 44.14 ATOM 1061 HD2 TYR 67 11.973 -36.265 42.117 1.00 71.44 ATOM 1062 CE1 TYR 67 10.372 -38.245 39.245 1.00 74.15 ATOM 1063 HE1 TYR 67 9.922 -38.797 38.433 1.00 52.30 ATOM 1064 CE2 TYR 67 11.096 -38.119 41.521 1.00 63.45 ATOM 1065 HE2 TYR 67 11.212 -38.572 42.495 1.00 24.41 ATOM 1066 CZ TYR 67 10.519 -38.825 40.487 1.00 71.21 ATOM 1067 OH TYR 67 10.095 -40.120 40.692 1.00 55.12 ATOM 1068 HH TYR 67 10.371 -40.667 39.948 1.00 2.32 ATOM 1069 C TYR 67 11.348 -32.334 39.676 1.00 12.31 ATOM 1070 O TYR 67 12.136 -32.172 38.740 1.00 32.44 ATOM 1071 N PRO 68 10.966 -31.303 40.464 1.00 53.15 ATOM 1072 CA PRO 68 11.459 -29.923 40.264 1.00 50.54 ATOM 1073 HA PRO 68 11.197 -29.548 39.283 1.00 33.40 ATOM 1074 CB PRO 68 10.717 -29.115 41.344 1.00 23.15 ATOM 1075 HB1 PRO 68 9.855 -28.630 40.907 1.00 38.98 ATOM 1076 HB2 PRO 68 11.377 -28.368 41.765 1.00 14.14 ATOM 1077 CG PRO 68 10.312 -30.123 42.367 1.00 32.45 ATOM 1078 HG1 PRO 68 9.420 -29.792 42.880 1.00 38.98 ATOM 1079 HG2 PRO 68 11.117 -30.275 43.073 1.00 34.12 ATOM 1080 CD PRO 68 10.038 -31.392 41.606 1.00 24.35 ATOM 1081 HD1 PRO 68 9.011 -31.420 41.266 1.00 38.98 ATOM 1082 HD2 PRO 68 10.258 -32.255 42.219 1.00 65.14 ATOM 1083 C PRO 68 12.979 -29.820 40.457 1.00 64.20 ATOM 1084 O PRO 68 13.617 -28.849 40.038 1.00 25.33 ATOM 1085 N GLU 69 13.537 -30.838 41.100 1.00 72.04 ATOM 1086 HN GLU 69 12.954 -31.545 41.443 1.00 38.98 ATOM 1087 CA GLU 69 14.974 -30.951 41.323 1.00 23.03 ATOM 1088 HA GLU 69 15.476 -30.337 40.587 1.00 64.12 ATOM 1089 CB GLU 69 15.323 -30.434 42.729 1.00 31.13 ATOM 1090 HB1 GLU 69 15.191 -29.361 42.748 1.00 38.98 ATOM 1091 HB2 GLU 69 16.359 -30.661 42.937 1.00 62.23 ATOM 1092 CG GLU 69 14.465 -31.040 43.839 1.00 73.03 ATOM 1093 HG1 GLU 69 14.678 -32.099 43.902 1.00 38.98 ATOM 1094 HG2 GLU 69 13.422 -30.902 43.587 1.00 23.33 ATOM 1095 CD GLU 69 14.719 -30.408 45.197 1.00 13.01 ATOM 1096 OE1 GLU 69 14.271 -29.261 45.416 1.00 13.14 ATOM 1097 OE2 GLU 69 15.349 -31.054 46.060 1.00 62.23 ATOM 1098 C GLU 69 15.426 -32.412 41.138 1.00 3.55 ATOM 1099 O GLU 69 15.509 -33.180 42.094 1.00 65.41 ATOM 1100 N PRO 70 15.680 -32.831 39.885 1.00 55.52 ATOM 1101 CA PRO 70 16.057 -34.218 39.581 1.00 24.01 ATOM 1102 HA PRO 70 15.424 -34.919 40.109 1.00 60.11 ATOM 1103 CB PRO 70 15.783 -34.322 38.076 1.00 52.55 ATOM 1104 HB1 PRO 70 14.763 -34.642 37.914 1.00 38.98 ATOM 1105 HB2 PRO 70 16.463 -35.035 37.626 1.00 32.42 ATOM 1106 CG PRO 70 16.009 -32.940 37.556 1.00 25.24 ATOM 1107 HG1 PRO 70 15.396 -32.771 36.681 1.00 38.98 ATOM 1108 HG2 PRO 70 17.054 -32.808 37.308 1.00 44.24 ATOM 1109 CD PRO 70 15.610 -31.996 38.667 1.00 34.05 ATOM 1110 HD1 PRO 70 14.605 -31.632 38.508 1.00 38.98 ATOM 1111 HD2 PRO 70 16.305 -31.169 38.727 1.00 11.14 ATOM 1112 C PRO 70 17.530 -34.528 39.903 1.00 61.13 ATOM 1113 O PRO 70 18.444 -34.033 39.239 1.00 20.12 ATOM 1114 N ARG 71 17.756 -35.338 40.936 1.00 62.43 ATOM 1115 HN ARG 71 16.987 -35.676 41.452 1.00 38.98 ATOM 1116 CA ARG 71 19.116 -35.738 41.327 1.00 52.43 ATOM 1117 HA ARG 71 19.784 -34.920 41.090 1.00 12.51 ATOM 1118 CB ARG 71 19.189 -36.015 42.840 1.00 33.55 ATOM 1119 HB1 ARG 71 20.082 -36.591 43.046 1.00 38.98 ATOM 1120 HB2 ARG 71 18.328 -36.602 43.127 1.00 42.23 ATOM 1121 CG ARG 71 19.221 -34.765 43.722 1.00 62.15 ATOM 1122 HG1 ARG 71 20.120 -34.207 43.499 1.00 38.98 ATOM 1123 HG2 ARG 71 19.243 -35.074 44.756 1.00 21.21 ATOM 1124 CD ARG 71 18.012 -33.860 43.510 1.00 74.22 ATOM 1125 HD1 ARG 71 17.117 -34.468 43.522 1.00 38.98 ATOM 1126 HD2 ARG 71 18.100 -33.379 42.546 1.00 40.31 ATOM 1127 NE ARG 71 17.894 -32.833 44.546 1.00 3.34 ATOM 1128 HE ARG 71 17.500 -33.103 45.401 1.00 31.12 ATOM 1129 CZ ARG 71 18.219 -31.577 44.389 1.00 12.14 ATOM 1130 NH1 ARG 71 18.803 -31.169 43.307 1.00 4.55 ATOM 1131 HH11 ARG 71 19.022 -31.816 42.582 1.00 50.11 ATOM 1132 HH12 ARG 71 19.021 -30.199 43.196 1.00 35.35 ATOM 1133 NH2 ARG 71 17.972 -30.728 45.331 1.00 53.40 ATOM 1134 HH21 ARG 71 17.528 -31.032 46.174 1.00 71.35 ATOM 1135 HH22 ARG 71 18.224 -29.770 45.216 1.00 21.42 ATOM 1136 C ARG 71 19.575 -36.982 40.550 1.00 31.31 ATOM 1137 O ARG 71 20.683 -37.025 40.015 1.00 73.34 ATOM 1138 N SER 72 18.714 -37.991 40.495 1.00 14.40 ATOM 1139 HN SER 72 17.839 -37.887 40.918 1.00 38.98 ATOM 1140 CA SER 72 19.036 -39.255 39.816 1.00 61.40 ATOM 1141 HA SER 72 20.092 -39.444 39.949 1.00 22.43 ATOM 1142 CB SER 72 18.243 -40.419 40.431 1.00 75.42 ATOM 1143 HB1 SER 72 18.577 -41.349 39.995 1.00 38.98 ATOM 1144 HB2 SER 72 17.190 -40.285 40.225 1.00 61.42 ATOM 1145 OG SER 72 18.423 -40.485 41.837 1.00 71.22 ATOM 1146 HG SER 72 17.890 -39.794 42.258 1.00 71.43 ATOM 1147 C SER 72 18.733 -39.175 38.316 1.00 11.13 ATOM 1148 O SER 72 17.836 -38.448 37.886 1.00 4.13 ATOM 1149 N GLU 73 19.478 -39.946 37.531 1.00 73.22 ATOM 1150 HN GLU 73 20.181 -40.494 37.942 1.00 38.98 ATOM 1151 CA GLU 73 19.294 -40.010 36.076 1.00 70.44 ATOM 1152 HA GLU 73 19.541 -39.042 35.665 1.00 55.33 ATOM 1153 CB GLU 73 20.254 -41.057 35.495 1.00 20.53 ATOM 1154 HB1 GLU 73 20.133 -41.979 36.048 1.00 38.98 ATOM 1155 HB2 GLU 73 21.267 -40.705 35.628 1.00 63.03 ATOM 1156 CG GLU 73 20.049 -41.359 34.015 1.00 34.10 ATOM 1157 HG1 GLU 73 20.150 -40.439 33.456 1.00 38.98 ATOM 1158 HG2 GLU 73 19.054 -41.758 33.874 1.00 53.21 ATOM 1159 CD GLU 73 21.055 -42.369 33.490 1.00 43.14 ATOM 1160 OE1 GLU 73 21.793 -42.046 32.537 1.00 43.43 ATOM 1161 OE2 GLU 73 21.129 -43.485 34.051 1.00 43.13 ATOM 1162 C GLU 73 17.840 -40.353 35.702 1.00 3.12 ATOM 1163 O GLU 73 17.232 -39.702 34.846 1.00 43.51 ATOM 1164 N SER 74 17.287 -41.365 36.366 1.00 73.13 ATOM 1165 HN SER 74 17.822 -41.836 37.040 1.00 38.98 ATOM 1166 CA SER 74 15.906 -41.809 36.112 1.00 12.42 ATOM 1167 HA SER 74 15.833 -42.054 35.061 1.00 30.22 ATOM 1168 CB SER 74 15.584 -43.067 36.934 1.00 51.12 ATOM 1169 HB1 SER 74 15.644 -42.831 37.988 1.00 38.98 ATOM 1170 HB2 SER 74 16.299 -43.840 36.700 1.00 10.51 ATOM 1171 OG SER 74 14.279 -43.555 36.651 1.00 22.02 ATOM 1172 HG SER 74 14.040 -44.224 37.306 1.00 50.34 ATOM 1173 C SER 74 14.883 -40.704 36.427 1.00 53.05 ATOM 1174 O SER 74 13.798 -40.668 35.846 1.00 14.21 ATOM 1175 N GLU 75 15.235 -39.796 37.343 1.00 54.41 ATOM 1176 HN GLU 75 16.102 -39.882 37.791 1.00 38.98 ATOM 1177 CA GLU 75 14.363 -38.664 37.684 1.00 15.24 ATOM 1178 HA GLU 75 13.394 -39.067 37.950 1.00 72.44 ATOM 1179 CB GLU 75 14.924 -37.886 38.888 1.00 4.23 ATOM 1180 HB1 GLU 75 14.352 -36.975 39.011 1.00 38.98 ATOM 1181 HB2 GLU 75 15.953 -37.625 38.683 1.00 45.40 ATOM 1182 CG GLU 75 14.882 -38.658 40.208 1.00 33.23 ATOM 1183 HG1 GLU 75 15.446 -39.573 40.091 1.00 38.98 ATOM 1184 HG2 GLU 75 13.853 -38.900 40.437 1.00 0.02 ATOM 1185 CD GLU 75 15.465 -37.869 41.376 1.00 42.21 ATOM 1186 OE1 GLU 75 15.026 -36.726 41.606 1.00 23.23 ATOM 1187 OE2 GLU 75 16.368 -38.389 42.068 1.00 70.24 ATOM 1188 C GLU 75 14.185 -37.724 36.479 1.00 31.21 ATOM 1189 O GLU 75 13.063 -37.359 36.126 1.00 2.51 ATOM 1190 N CYS 76 15.296 -37.344 35.844 1.00 33.30 ATOM 1191 HN CYS 76 16.169 -37.616 36.205 1.00 38.98 ATOM 1192 CA CYS 76 15.247 -36.525 34.621 1.00 32.33 ATOM 1193 HA CYS 76 14.753 -35.595 34.865 1.00 44.04 ATOM 1194 CB CYS 76 16.665 -36.219 34.114 1.00 32.45 ATOM 1195 HB1 CYS 76 16.598 -35.660 33.192 1.00 38.98 ATOM 1196 HB2 CYS 76 17.182 -37.149 33.927 1.00 5.42 ATOM 1197 SG CYS 76 17.676 -35.257 35.264 1.00 55.41 ATOM 1198 HG CYS 76 17.061 -34.102 35.479 1.00 53.15 ATOM 1199 C CYS 76 14.450 -37.238 33.518 1.00 34.43 ATOM 1200 O CYS 76 13.590 -36.642 32.868 1.00 10.23 ATOM 1201 N LEU 77 14.740 -38.525 33.327 1.00 73.52 ATOM 1202 HN LEU 77 15.457 -38.934 33.861 1.00 38.98 ATOM 1203 CA LEU 77 14.030 -39.349 32.342 1.00 62.40 ATOM 1204 HA LEU 77 14.160 -38.888 31.373 1.00 43.43 ATOM 1205 CB LEU 77 14.629 -40.764 32.306 1.00 31.45 ATOM 1206 HB1 LEU 77 14.068 -41.353 31.593 1.00 38.98 ATOM 1207 HB2 LEU 77 14.507 -41.208 33.285 1.00 41.41 ATOM 1208 CG LEU 77 16.118 -40.840 31.925 1.00 64.32 ATOM 1209 HG LEU 77 16.690 -40.257 32.634 1.00 63.32 ATOM 1210 CD1 LEU 77 16.626 -42.280 31.994 1.00 54.02 ATOM 1211 HD11 LEU 77 17.668 -42.310 31.707 1.00 71.14 ATOM 1212 HD12 LEU 77 16.052 -42.901 31.322 1.00 43.52 ATOM 1213 HD13 LEU 77 16.523 -42.652 33.003 1.00 55.44 ATOM 1214 CD2 LEU 77 16.352 -40.250 30.535 1.00 12.34 ATOM 1215 HD21 LEU 77 16.056 -39.211 30.529 1.00 42.04 ATOM 1216 HD22 LEU 77 15.769 -40.794 29.807 1.00 40.45 ATOM 1217 HD23 LEU 77 17.400 -40.325 30.284 1.00 60.34 ATOM 1218 C LEU 77 12.525 -39.424 32.653 1.00 21.21 ATOM 1219 O LEU 77 11.694 -39.433 31.745 1.00 74.44 ATOM 1220 N SER 78 12.184 -39.472 33.942 1.00 72.14 ATOM 1221 HN SER 78 12.893 -39.487 34.620 1.00 38.98 ATOM 1222 CA SER 78 10.779 -39.510 34.377 1.00 13.44 ATOM 1223 HA SER 78 10.300 -40.332 33.863 1.00 11.52 ATOM 1224 CB SER 78 10.681 -39.749 35.890 1.00 2.50 ATOM 1225 HB1 SER 78 11.202 -38.959 36.413 1.00 38.98 ATOM 1226 HB2 SER 78 11.136 -40.698 36.133 1.00 20.33 ATOM 1227 OG SER 78 9.328 -39.771 36.328 1.00 41.22 ATOM 1228 HG SER 78 8.797 -40.291 35.712 1.00 24.44 ATOM 1229 C SER 78 10.046 -38.214 34.013 1.00 63.15 ATOM 1230 O SER 78 8.929 -38.249 33.500 1.00 31.23 ATOM 1231 N ASN 79 10.683 -37.072 34.272 1.00 61.24 ATOM 1232 HN ASN 79 11.557 -37.102 34.720 1.00 38.98 ATOM 1233 CA ASN 79 10.105 -35.770 33.914 1.00 42.35 ATOM 1234 HA ASN 79 9.183 -35.658 34.468 1.00 43.23 ATOM 1235 CB ASN 79 11.060 -34.638 34.304 1.00 41.24 ATOM 1236 HB1 ASN 79 10.635 -33.693 33.999 1.00 38.98 ATOM 1237 HB2 ASN 79 12.006 -34.782 33.799 1.00 3.24 ATOM 1238 CG ASN 79 11.320 -34.584 35.796 1.00 75.43 ATOM 1239 OD1 ASN 79 10.498 -35.004 36.595 1.00 62.22 ATOM 1240 ND2 ASN 79 12.462 -34.056 36.183 1.00 22.51 ATOM 1241 HD21 ASN 79 13.077 -33.730 35.495 1.00 74.53 ATOM 1242 HD22 ASN 79 12.639 -34.003 37.143 1.00 32.25 ATOM 1243 C ASN 79 9.788 -35.698 32.409 1.00 73.35 ATOM 1244 O ASN 79 8.693 -35.291 32.008 1.00 50.22 ATOM 1245 N ILE 80 10.753 -36.105 31.583 1.00 71.12 ATOM 1246 HN ILE 80 11.626 -36.354 31.958 1.00 38.98 ATOM 1247 CA ILE 80 10.547 -36.187 30.132 1.00 63.34 ATOM 1248 HA ILE 80 10.230 -35.213 29.783 1.00 21.54 ATOM 1249 CB ILE 80 11.858 -36.573 29.395 1.00 44.00 ATOM 1250 HB ILE 80 12.140 -37.569 29.711 1.00 43.43 ATOM 1251 CG1 ILE 80 12.992 -35.595 29.755 1.00 61.42 ATOM 1252 HG11 ILE 80 13.112 -35.572 30.830 1.00 38.98 ATOM 1253 HG12 ILE 80 12.732 -34.606 29.407 1.00 71.13 ATOM 1254 CG2 ILE 80 11.637 -36.602 27.881 1.00 23.33 ATOM 1255 HG21 ILE 80 12.562 -36.858 27.383 1.00 3.53 ATOM 1256 HG22 ILE 80 11.306 -35.630 27.545 1.00 73.20 ATOM 1257 HG23 ILE 80 10.885 -37.340 27.639 1.00 11.14 ATOM 1258 CD1 ILE 80 14.332 -35.961 29.146 1.00 50.33 ATOM 1259 HD11 ILE 80 15.073 -35.234 29.444 1.00 24.35 ATOM 1260 HD12 ILE 80 14.250 -35.970 28.068 1.00 63.43 ATOM 1261 HD13 ILE 80 14.631 -36.940 29.492 1.00 71.15 ATOM 1262 C ILE 80 9.457 -37.219 29.795 1.00 43.22 ATOM 1263 O ILE 80 8.644 -37.017 28.892 1.00 65.43 ATOM 1264 N ARG 81 9.439 -38.320 30.547 1.00 63.31 ATOM 1265 HN ARG 81 10.103 -38.417 31.265 1.00 38.98 ATOM 1266 CA ARG 81 8.461 -39.391 30.336 1.00 0.44 ATOM 1267 HA ARG 81 8.547 -39.714 29.307 1.00 22.20 ATOM 1268 CB ARG 81 8.767 -40.580 31.257 1.00 12.14 ATOM 1269 HB1 ARG 81 8.527 -40.304 32.274 1.00 38.98 ATOM 1270 HB2 ARG 81 9.823 -40.802 31.197 1.00 73.01 ATOM 1271 CG ARG 81 7.990 -41.847 30.909 1.00 14.41 ATOM 1272 HG1 ARG 81 6.933 -41.622 30.908 1.00 38.98 ATOM 1273 HG2 ARG 81 8.198 -42.602 31.654 1.00 43.02 ATOM 1274 CD ARG 81 8.383 -42.386 29.538 1.00 30.52 ATOM 1275 HD1 ARG 81 9.438 -42.626 29.549 1.00 38.98 ATOM 1276 HD2 ARG 81 8.200 -41.620 28.797 1.00 4.10 ATOM 1277 NE ARG 81 7.631 -43.583 29.172 1.00 73.43 ATOM 1278 HE ARG 81 6.804 -43.767 29.665 1.00 51.32 ATOM 1279 CZ ARG 81 7.978 -44.400 28.214 1.00 50.20 ATOM 1280 NH1 ARG 81 9.087 -44.231 27.567 1.00 22.20 ATOM 1281 HH11 ARG 81 9.687 -43.471 27.795 1.00 70.52 ATOM 1282 HH12 ARG 81 9.337 -44.864 26.833 1.00 15.14 ATOM 1283 NH2 ARG 81 7.225 -45.402 27.920 1.00 12.10 ATOM 1284 HH21 ARG 81 6.374 -45.547 28.417 1.00 32.10 ATOM 1285 HH22 ARG 81 7.496 -46.033 27.193 1.00 53.13 ATOM 1286 C ARG 81 7.025 -38.896 30.580 1.00 51.53 ATOM 1287 O ARG 81 6.101 -39.280 29.867 1.00 3.13 ATOM 1288 N GLU 82 6.846 -38.048 31.596 1.00 42.14 ATOM 1289 HN GLU 82 7.609 -37.830 32.173 1.00 38.98 ATOM 1290 CA GLU 82 5.538 -37.439 31.883 1.00 73.04 ATOM 1291 HA GLU 82 4.827 -38.241 32.023 1.00 0.22 ATOM 1292 CB GLU 82 5.607 -36.606 33.172 1.00 31.21 ATOM 1293 HB1 GLU 82 4.682 -36.056 33.285 1.00 38.98 ATOM 1294 HB2 GLU 82 6.422 -35.900 33.086 1.00 55.23 ATOM 1295 CG GLU 82 5.827 -37.434 34.435 1.00 64.31 ATOM 1296 HG1 GLU 82 5.964 -36.761 35.272 1.00 38.98 ATOM 1297 HG2 GLU 82 6.721 -38.027 34.308 1.00 75.03 ATOM 1298 CD GLU 82 4.663 -38.369 34.745 1.00 20.10 ATOM 1299 OE1 GLU 82 4.672 -39.524 34.259 1.00 53.43 ATOM 1300 OE2 GLU 82 3.741 -37.958 35.482 1.00 42.24 ATOM 1301 C GLU 82 5.064 -36.565 30.709 1.00 4.44 ATOM 1302 O GLU 82 3.884 -36.572 30.345 1.00 73.24 ATOM 1303 N PHE 83 5.994 -35.819 30.115 1.00 12.00 ATOM 1304 HN PHE 83 6.897 -35.790 30.498 1.00 38.98 ATOM 1305 CA PHE 83 5.703 -35.034 28.910 1.00 53.20 ATOM 1306 HA PHE 83 4.903 -34.347 29.146 1.00 60.10 ATOM 1307 CB PHE 83 6.947 -34.235 28.497 1.00 61.11 ATOM 1308 HB1 PHE 83 7.767 -34.921 28.333 1.00 38.98 ATOM 1309 HB2 PHE 83 7.211 -33.558 29.297 1.00 61.32 ATOM 1310 CG PHE 83 6.766 -33.414 27.243 1.00 54.34 ATOM 1311 CD1 PHE 83 7.344 -33.811 26.044 1.00 35.24 ATOM 1312 HD1 PHE 83 7.928 -34.720 26.012 1.00 3.52 ATOM 1313 CD2 PHE 83 6.021 -32.244 27.266 1.00 2.11 ATOM 1314 HD2 PHE 83 5.564 -31.923 28.192 1.00 62.11 ATOM 1315 CE1 PHE 83 7.182 -33.058 24.896 1.00 64.14 ATOM 1316 HE1 PHE 83 7.638 -33.378 23.970 1.00 63.25 ATOM 1317 CE2 PHE 83 5.856 -31.488 26.122 1.00 55.13 ATOM 1318 HE2 PHE 83 5.274 -30.579 26.154 1.00 52.32 ATOM 1319 CZ PHE 83 6.438 -31.895 24.936 1.00 30.32 ATOM 1320 HZ PHE 83 6.311 -31.305 24.040 1.00 54.04 ATOM 1321 C PHE 83 5.248 -35.953 27.763 1.00 11.32 ATOM 1322 O PHE 83 4.248 -35.690 27.090 1.00 34.12 ATOM 1323 N LEU 84 5.985 -37.044 27.567 1.00 73.11 ATOM 1324 HN LEU 84 6.783 -37.177 28.119 1.00 38.98 ATOM 1325 CA LEU 84 5.639 -38.051 26.557 1.00 73.33 ATOM 1326 HA LEU 84 5.524 -37.544 25.609 1.00 64.14 ATOM 1327 CB LEU 84 6.764 -39.090 26.438 1.00 71.24 ATOM 1328 HB1 LEU 84 6.465 -39.829 25.708 1.00 38.98 ATOM 1329 HB2 LEU 84 6.871 -39.582 27.397 1.00 61.55 ATOM 1330 CG LEU 84 8.139 -38.532 26.024 1.00 64.32 ATOM 1331 HG LEU 84 8.432 -37.764 26.727 1.00 43.15 ATOM 1332 CD1 LEU 84 9.206 -39.626 26.061 1.00 60.34 ATOM 1333 HD11 LEU 84 8.966 -40.395 25.339 1.00 54.24 ATOM 1334 HD12 LEU 84 9.243 -40.062 27.050 1.00 10.22 ATOM 1335 HD13 LEU 84 10.170 -39.198 25.823 1.00 1.50 ATOM 1336 CD2 LEU 84 8.065 -37.893 24.638 1.00 12.22 ATOM 1337 HD21 LEU 84 9.034 -37.497 24.372 1.00 61.22 ATOM 1338 HD22 LEU 84 7.342 -37.091 24.649 1.00 33.33 ATOM 1339 HD23 LEU 84 7.768 -38.635 23.910 1.00 72.10 ATOM 1340 C LEU 84 4.317 -38.750 26.907 1.00 31.32 ATOM 1341 O LEU 84 3.571 -39.172 26.022 1.00 1.24 ATOM 1342 N ARG 85 4.041 -38.866 28.207 1.00 53.51 ATOM 1343 HN ARG 85 4.699 -38.540 28.857 1.00 38.98 ATOM 1344 CA ARG 85 2.795 -39.461 28.701 1.00 10.42 ATOM 1345 HA ARG 85 2.767 -40.495 28.388 1.00 4.32 ATOM 1346 CB ARG 85 2.760 -39.394 30.237 1.00 51.44 ATOM 1347 HB1 ARG 85 2.747 -38.354 30.535 1.00 38.98 ATOM 1348 HB2 ARG 85 3.660 -39.850 30.625 1.00 2.31 ATOM 1349 CG ARG 85 1.555 -40.087 30.875 1.00 1.25 ATOM 1350 HG1 ARG 85 0.772 -40.182 30.136 1.00 38.98 ATOM 1351 HG2 ARG 85 1.198 -39.483 31.697 1.00 13.35 ATOM 1352 CD ARG 85 1.907 -41.472 31.404 1.00 32.32 ATOM 1353 HD1 ARG 85 2.311 -42.064 30.596 1.00 38.98 ATOM 1354 HD2 ARG 85 1.008 -41.941 31.779 1.00 1.44 ATOM 1355 NE ARG 85 2.891 -41.402 32.483 1.00 21.32 ATOM 1356 HE ARG 85 3.175 -40.514 32.784 1.00 40.31 ATOM 1357 CZ ARG 85 3.409 -42.438 33.073 1.00 12.45 ATOM 1358 NH1 ARG 85 3.070 -43.640 32.724 1.00 34.42 ATOM 1359 HH11 ARG 85 2.405 -43.780 31.996 1.00 2.11 ATOM 1360 HH12 ARG 85 3.473 -44.425 33.191 1.00 70.13 ATOM 1361 NH2 ARG 85 4.268 -42.266 34.020 1.00 72.01 ATOM 1362 HH21 ARG 85 4.525 -41.338 34.296 1.00 72.53 ATOM 1363 HH22 ARG 85 4.680 -43.053 34.468 1.00 24.32 ATOM 1364 C ARG 85 1.573 -38.725 28.134 1.00 15.13 ATOM 1365 O ARG 85 0.766 -39.301 27.406 1.00 62.13 ATOM 1366 N GLY 86 1.466 -37.436 28.452 1.00 44.35 ATOM 1367 HN GLY 86 2.181 -37.013 28.983 1.00 38.98 ATOM 1368 CA GLY 86 0.314 -36.649 28.020 1.00 62.04 ATOM 1369 HA1 GLY 86 0.361 -35.680 28.493 1.00 38.98 ATOM 1370 HA2 GLY 86 -0.588 -37.149 28.346 1.00 62.34 ATOM 1371 C GLY 86 0.247 -36.453 26.510 1.00 72.03 ATOM 1372 O GLY 86 -0.803 -36.657 25.891 1.00 43.31 ATOM 1373 N CYS 87 1.373 -36.066 25.912 1.00 42.32 ATOM 1374 HN CYS 87 2.176 -35.915 26.459 1.00 38.98 ATOM 1375 CA CYS 87 1.450 -35.850 24.463 1.00 32.45 ATOM 1376 HA CYS 87 0.679 -35.142 24.200 1.00 43.54 ATOM 1377 CB CYS 87 2.812 -35.253 24.089 1.00 74.32 ATOM 1378 HB1 CYS 87 2.858 -35.117 23.018 1.00 38.98 ATOM 1379 HB2 CYS 87 3.592 -35.935 24.394 1.00 42.25 ATOM 1380 SG CYS 87 3.151 -33.654 24.860 1.00 34.23 ATOM 1381 HG CYS 87 4.466 -33.491 24.910 1.00 32.35 ATOM 1382 C CYS 87 1.210 -37.148 23.676 1.00 43.24 ATOM 1383 O CYS 87 0.726 -37.118 22.546 1.00 43.41 ATOM 1384 N GLY 88 1.554 -38.284 24.277 1.00 12.04 ATOM 1385 HN GLY 88 1.972 -38.247 25.163 1.00 38.98 ATOM 1386 CA GLY 88 1.338 -39.578 23.633 1.00 42.43 ATOM 1387 HA1 GLY 88 2.080 -40.272 24.001 1.00 38.98 ATOM 1388 HA2 GLY 88 1.474 -39.465 22.567 1.00 13.12 ATOM 1389 C GLY 88 -0.051 -40.166 23.890 1.00 52.01 ATOM 1390 O GLY 88 -0.602 -40.866 23.038 1.00 14.34 ATOM 1391 N ALA 89 -0.617 -39.886 25.065 1.00 40.51 ATOM 1392 HN ALA 89 -0.136 -39.310 25.698 1.00 38.98 ATOM 1393 CA ALA 89 -1.934 -40.421 25.444 1.00 30.33 ATOM 1394 HA ALA 89 -2.059 -41.377 24.948 1.00 55.53 ATOM 1395 CB ALA 89 -1.989 -40.668 26.949 1.00 54.24 ATOM 1396 HB1 ALA 89 -1.856 -39.733 27.474 1.00 52.04 ATOM 1397 HB2 ALA 89 -1.204 -41.354 27.233 1.00 14.13 ATOM 1398 HB3 ALA 89 -2.948 -41.094 27.211 1.00 73.23 ATOM 1399 C ALA 89 -3.081 -39.492 25.014 1.00 31.33 ATOM 1400 O ALA 89 -3.891 -39.849 24.157 1.00 72.14 ATOM 1401 N SER 90 -3.149 -38.300 25.615 1.00 32.45 ATOM 1402 HN SER 90 -2.464 -38.059 26.276 1.00 38.98 ATOM 1403 CA SER 90 -4.227 -37.337 25.312 1.00 42.33 ATOM 1404 HA SER 90 -5.170 -37.854 25.432 1.00 1.51 ATOM 1405 CB SER 90 -4.191 -36.147 26.285 1.00 41.41 ATOM 1406 HB1 SER 90 -3.210 -35.693 26.262 1.00 38.98 ATOM 1407 HB2 SER 90 -4.400 -36.494 27.286 1.00 53.51 ATOM 1408 OG SER 90 -5.158 -35.163 25.936 1.00 42.22 ATOM 1409 HG SER 90 -5.793 -35.068 26.655 1.00 54.00 ATOM 1410 C SER 90 -4.136 -36.814 23.874 1.00 71.21 ATOM 1411 O SER 90 -5.078 -36.940 23.091 1.00 15.13 ATOM 1412 N LEU 91 -2.992 -36.228 23.536 1.00 13.30 ATOM 1413 HN LEU 91 -2.267 -36.189 24.195 1.00 38.98 ATOM 1414 CA LEU 91 -2.784 -35.627 22.214 1.00 34.44 ATOM 1415 HA LEU 91 -3.706 -35.142 21.924 1.00 34.41 ATOM 1416 CB LEU 91 -1.685 -34.565 22.304 1.00 33.41 ATOM 1417 HB1 LEU 91 -1.368 -34.311 21.301 1.00 38.98 ATOM 1418 HB2 LEU 91 -0.842 -34.993 22.831 1.00 4.31 ATOM 1419 CG LEU 91 -2.103 -33.270 23.019 1.00 23.00 ATOM 1420 HG LEU 91 -2.625 -33.521 23.932 1.00 41.43 ATOM 1421 CD1 LEU 91 -0.886 -32.436 23.391 1.00 23.11 ATOM 1422 HD11 LEU 91 -0.341 -32.169 22.497 1.00 32.10 ATOM 1423 HD12 LEU 91 -0.244 -33.007 24.046 1.00 13.24 ATOM 1424 HD13 LEU 91 -1.206 -31.537 23.899 1.00 24.42 ATOM 1425 CD2 LEU 91 -3.057 -32.466 22.138 1.00 44.33 ATOM 1426 HD21 LEU 91 -3.317 -31.543 22.635 1.00 12.33 ATOM 1427 HD22 LEU 91 -3.953 -33.041 21.958 1.00 23.00 ATOM 1428 HD23 LEU 91 -2.575 -32.243 21.193 1.00 73.04 ATOM 1429 C LEU 91 -2.432 -36.673 21.146 1.00 21.13 ATOM 1430 O LEU 91 -2.837 -36.542 19.988 1.00 73.22 ATOM 1431 N ARG 92 -1.672 -37.698 21.535 1.00 14.30 ATOM 1432 HN ARG 92 -1.360 -37.729 22.462 1.00 38.98 ATOM 1433 CA ARG 92 -1.288 -38.781 20.616 1.00 53.42 ATOM 1434 HA ARG 92 -0.636 -39.453 21.156 1.00 72.54 ATOM 1435 CB ARG 92 -2.551 -39.550 20.185 1.00 12.42 ATOM 1436 HB1 ARG 92 -3.145 -38.906 19.549 1.00 38.98 ATOM 1437 HB2 ARG 92 -3.127 -39.791 21.067 1.00 4.11 ATOM 1438 CG ARG 92 -2.283 -40.847 19.428 1.00 61.04 ATOM 1439 HG1 ARG 92 -1.655 -41.486 20.033 1.00 38.98 ATOM 1440 HG2 ARG 92 -1.779 -40.616 18.500 1.00 74.22 ATOM 1441 CD ARG 92 -3.583 -41.579 19.118 1.00 30.24 ATOM 1442 HD1 ARG 92 -4.233 -40.913 18.565 1.00 38.98 ATOM 1443 HD2 ARG 92 -4.060 -41.849 20.050 1.00 1.14 ATOM 1444 NE ARG 92 -3.368 -42.789 18.334 1.00 24.12 ATOM 1445 HE ARG 92 -2.470 -42.949 17.984 1.00 13.34 ATOM 1446 CZ ARG 92 -4.304 -43.651 18.047 1.00 13.00 ATOM 1447 NH1 ARG 92 -5.505 -43.501 18.504 1.00 64.53 ATOM 1448 HH11 ARG 92 -5.727 -42.717 19.079 1.00 32.33 ATOM 1449 HH12 ARG 92 -6.208 -44.174 18.277 1.00 22.24 ATOM 1450 NH2 ARG 92 -4.031 -44.673 17.309 1.00 41.40 ATOM 1451 HH21 ARG 92 -3.105 -44.798 16.956 1.00 75.51 ATOM 1452 HH22 ARG 92 -4.750 -45.327 17.081 1.00 34.10 ATOM 1453 C ARG 92 -0.522 -38.221 19.397 1.00 62.15 ATOM 1454 O ARG 92 -0.791 -38.575 18.247 1.00 72.14 ATOM 1455 N LEU 93 0.447 -37.347 19.672 1.00 34.41 ATOM 1456 HN LEU 93 0.659 -37.160 20.610 1.00 38.98 ATOM 1457 CA LEU 93 1.213 -36.661 18.620 1.00 14.41 ATOM 1458 HA LEU 93 0.679 -36.793 17.688 1.00 33.33 ATOM 1459 CB LEU 93 1.275 -35.151 18.936 1.00 42.34 ATOM 1460 HB1 LEU 93 0.278 -34.747 18.819 1.00 38.98 ATOM 1461 HB2 LEU 93 1.914 -34.682 18.202 1.00 31.41 ATOM 1462 CG LEU 93 1.785 -34.761 20.344 1.00 32.44 ATOM 1463 HG LEU 93 1.337 -35.422 21.073 1.00 35.31 ATOM 1464 CD1 LEU 93 3.302 -34.909 20.461 1.00 62.22 ATOM 1465 HD11 LEU 93 3.581 -35.937 20.280 1.00 54.11 ATOM 1466 HD12 LEU 93 3.618 -34.623 21.452 1.00 34.33 ATOM 1467 HD13 LEU 93 3.785 -34.272 19.733 1.00 11.24 ATOM 1468 CD2 LEU 93 1.363 -33.337 20.692 1.00 72.10 ATOM 1469 HD21 LEU 93 0.286 -33.260 20.643 1.00 72.45 ATOM 1470 HD22 LEU 93 1.806 -32.644 19.992 1.00 43.24 ATOM 1471 HD23 LEU 93 1.692 -33.099 21.694 1.00 64.42 ATOM 1472 C LEU 93 2.628 -37.252 18.448 1.00 13.33 ATOM 1473 O LEU 93 2.944 -38.304 19.003 1.00 44.32 ATOM 1474 N GLU 94 3.468 -36.564 17.672 1.00 4.25 ATOM 1475 HN GLU 94 3.149 -35.744 17.244 1.00 38.98 ATOM 1476 CA GLU 94 4.853 -37.001 17.419 1.00 75.00 ATOM 1477 HA GLU 94 4.815 -37.968 16.936 1.00 24.34 ATOM 1478 CB GLU 94 5.566 -36.001 16.488 1.00 20.23 ATOM 1479 HB1 GLU 94 6.415 -36.494 16.035 1.00 38.98 ATOM 1480 HB2 GLU 94 5.924 -35.172 17.082 1.00 75.10 ATOM 1481 CG GLU 94 4.697 -35.429 15.369 1.00 61.11 ATOM 1482 HG1 GLU 94 5.315 -34.800 14.741 1.00 38.98 ATOM 1483 HG2 GLU 94 3.919 -34.825 15.814 1.00 75.32 ATOM 1484 CD GLU 94 4.047 -36.491 14.500 1.00 11.21 ATOM 1485 OE1 GLU 94 2.839 -36.756 14.680 1.00 35.11 ATOM 1486 OE2 GLU 94 4.739 -37.060 13.631 1.00 42.45 ATOM 1487 C GLU 94 5.657 -37.124 18.731 1.00 23.20 ATOM 1488 O GLU 94 6.010 -36.117 19.347 1.00 54.30 ATOM 1489 N THR 95 5.940 -38.351 19.161 1.00 31.01 ATOM 1490 HN THR 95 5.623 -39.122 18.647 1.00 38.98 ATOM 1491 CA THR 95 6.713 -38.583 20.393 1.00 11.43 ATOM 1492 HA THR 95 6.694 -37.669 20.976 1.00 43.22 ATOM 1493 CB THR 95 6.091 -39.712 21.253 1.00 24.14 ATOM 1494 HB THR 95 6.723 -39.875 22.116 1.00 24.25 ATOM 1495 OG1 THR 95 6.015 -40.931 20.498 1.00 54.54 ATOM 1496 HG1 THR 95 5.484 -41.575 20.979 1.00 10.53 ATOM 1497 CG2 THR 95 4.697 -39.326 21.740 1.00 12.10 ATOM 1498 HG21 THR 95 4.758 -38.429 22.340 1.00 15.44 ATOM 1499 HG22 THR 95 4.288 -40.129 22.336 1.00 74.23 ATOM 1500 HG23 THR 95 4.053 -39.147 20.890 1.00 72.53 ATOM 1501 C THR 95 8.180 -38.934 20.094 1.00 1.33 ATOM 1502 O THR 95 8.533 -39.304 18.973 1.00 11.34 ATOM 1503 N PHE 96 9.031 -38.803 21.110 1.00 54.40 ATOM 1504 HN PHE 96 8.689 -38.487 21.969 1.00 38.98 ATOM 1505 CA PHE 96 10.464 -39.113 20.994 1.00 72.23 ATOM 1506 HA PHE 96 10.605 -39.706 20.099 1.00 20.44 ATOM 1507 CB PHE 96 11.283 -37.817 20.869 1.00 1.20 ATOM 1508 HB1 PHE 96 10.977 -37.295 19.972 1.00 38.98 ATOM 1509 HB2 PHE 96 12.331 -38.070 20.787 1.00 40.33 ATOM 1510 CG PHE 96 11.123 -36.869 22.039 1.00 71.34 ATOM 1511 CD1 PHE 96 10.075 -35.958 22.075 1.00 70.55 ATOM 1512 HD1 PHE 96 9.367 -35.932 21.259 1.00 44.02 ATOM 1513 CD2 PHE 96 12.022 -36.887 23.098 1.00 13.11 ATOM 1514 HD2 PHE 96 12.843 -37.589 23.085 1.00 11.04 ATOM 1515 CE1 PHE 96 9.927 -35.089 23.142 1.00 63.20 ATOM 1516 HE1 PHE 96 9.106 -34.386 23.157 1.00 60.03 ATOM 1517 CE2 PHE 96 11.877 -36.020 24.166 1.00 55.23 ATOM 1518 HE2 PHE 96 12.584 -36.045 24.983 1.00 44.31 ATOM 1519 CZ PHE 96 10.829 -35.120 24.187 1.00 63.11 ATOM 1520 HZ PHE 96 10.715 -34.442 25.021 1.00 51.44 ATOM 1521 C PHE 96 10.942 -39.934 22.202 1.00 4.12 ATOM 1522 O PHE 96 10.149 -40.272 23.082 1.00 32.43 ATOM 1523 N ASP 97 12.228 -40.281 22.235 1.00 51.31 ATOM 1524 HN ASP 97 12.814 -40.034 21.486 1.00 38.98 ATOM 1525 CA ASP 97 12.795 -41.016 23.370 1.00 12.35 ATOM 1526 HA ASP 97 11.985 -41.519 23.881 1.00 15.22 ATOM 1527 CB ASP 97 13.799 -42.065 22.882 1.00 43.31 ATOM 1528 HB1 ASP 97 14.163 -42.631 23.729 1.00 38.98 ATOM 1529 HB2 ASP 97 14.631 -41.565 22.405 1.00 1.22 ATOM 1530 CG ASP 97 13.178 -43.026 21.892 1.00 50.42 ATOM 1531 OD1 ASP 97 13.329 -42.813 20.670 1.00 65.14 ATOM 1532 OD2 ASP 97 12.515 -43.991 22.329 1.00 41.24 ATOM 1533 C ASP 97 13.478 -40.060 24.356 1.00 22.12 ATOM 1534 O ASP 97 14.160 -39.116 23.953 1.00 74.50 ATOM 1535 N ALA 98 13.294 -40.312 25.650 1.00 42.53 ATOM 1536 HN ALA 98 12.717 -41.062 25.909 1.00 38.98 ATOM 1537 CA ALA 98 13.917 -39.496 26.697 1.00 62.34 ATOM 1538 HA ALA 98 13.490 -38.503 26.640 1.00 5.43 ATOM 1539 CB ALA 98 13.594 -40.070 28.073 1.00 54.22 ATOM 1540 HB1 ALA 98 14.004 -39.425 28.838 1.00 3.44 ATOM 1541 HB2 ALA 98 14.028 -41.056 28.164 1.00 72.13 ATOM 1542 HB3 ALA 98 12.523 -40.135 28.195 1.00 3.22 ATOM 1543 C ALA 98 15.438 -39.390 26.503 1.00 44.33 ATOM 1544 O ALA 98 16.051 -38.377 26.843 1.00 71.32 ATOM 1545 N ASN 99 16.038 -40.440 25.942 1.00 42.34 ATOM 1546 HN ASN 99 15.499 -41.224 25.706 1.00 38.98 ATOM 1547 CA ASN 99 17.479 -40.460 25.675 1.00 74.32 ATOM 1548 HA ASN 99 17.985 -40.217 26.600 1.00 24.21 ATOM 1549 CB ASN 99 17.914 -41.861 25.225 1.00 5.11 ATOM 1550 HB1 ASN 99 18.979 -41.862 25.040 1.00 38.98 ATOM 1551 HB2 ASN 99 17.394 -42.117 24.312 1.00 22.43 ATOM 1552 CG ASN 99 17.604 -42.923 26.267 1.00 31.11 ATOM 1553 OD1 ASN 99 16.514 -43.482 26.294 1.00 15.15 ATOM 1554 ND2 ASN 99 18.561 -43.220 27.123 1.00 31.24 ATOM 1555 HD21 ASN 99 19.416 -42.749 27.048 1.00 11.04 ATOM 1556 HD22 ASN 99 18.377 -43.906 27.796 1.00 11.41 ATOM 1557 C ASN 99 17.877 -39.415 24.613 1.00 4.41 ATOM 1558 O ASN 99 18.970 -38.851 24.674 1.00 32.23 ATOM 1559 N ASP 100 16.987 -39.149 23.650 1.00 34.54 ATOM 1560 HN ASP 100 16.128 -39.625 23.644 1.00 38.98 ATOM 1561 CA ASP 100 17.262 -38.156 22.602 1.00 44.02 ATOM 1562 HA ASP 100 18.160 -38.466 22.089 1.00 22.14 ATOM 1563 CB ASP 100 16.111 -38.092 21.590 1.00 4.01 ATOM 1564 HB1 ASP 100 16.282 -37.268 20.910 1.00 38.98 ATOM 1565 HB2 ASP 100 15.184 -37.925 22.120 1.00 4.33 ATOM 1566 CG ASP 100 15.981 -39.364 20.775 1.00 70.41 ATOM 1567 OD1 ASP 100 16.967 -39.750 20.113 1.00 32.21 ATOM 1568 OD2 ASP 100 14.891 -39.970 20.770 1.00 23.50 ATOM 1569 C ASP 100 17.501 -36.763 23.199 1.00 1.10 ATOM 1570 O ASP 100 18.466 -36.083 22.856 1.00 54.14 ATOM 1571 N LEU 101 16.620 -36.351 24.100 1.00 35.12 ATOM 1572 HN LEU 101 15.869 -36.938 24.332 1.00 38.98 ATOM 1573 CA LEU 101 16.734 -35.043 24.749 1.00 74.34 ATOM 1574 HA LEU 101 17.027 -34.323 23.996 1.00 64.13 ATOM 1575 CB LEU 101 15.373 -34.631 25.324 1.00 43.12 ATOM 1576 HB1 LEU 101 15.065 -35.385 26.036 1.00 38.98 ATOM 1577 HB2 LEU 101 14.656 -34.616 24.514 1.00 33.24 ATOM 1578 CG LEU 101 15.339 -33.266 26.027 1.00 63.20 ATOM 1579 HG LEU 101 16.050 -33.272 26.843 1.00 22.31 ATOM 1580 CD1 LEU 101 15.743 -32.150 25.066 1.00 65.40 ATOM 1581 HD11 LEU 101 15.056 -32.122 24.232 1.00 22.21 ATOM 1582 HD12 LEU 101 16.743 -32.334 24.701 1.00 55.24 ATOM 1583 HD13 LEU 101 15.720 -31.202 25.583 1.00 13.11 ATOM 1584 CD2 LEU 101 13.953 -33.007 26.613 1.00 23.10 ATOM 1585 HD21 LEU 101 13.937 -32.036 27.088 1.00 52.24 ATOM 1586 HD22 LEU 101 13.725 -33.767 27.346 1.00 64.40 ATOM 1587 HD23 LEU 101 13.212 -33.034 25.824 1.00 55.33 ATOM 1588 C LEU 101 17.797 -35.056 25.861 1.00 42.02 ATOM 1589 O LEU 101 18.701 -34.219 25.881 1.00 30.24 ATOM 1590 N TYR 102 17.693 -36.026 26.769 1.00 54.35 ATOM 1591 HN TYR 102 16.991 -36.705 26.661 1.00 38.98 ATOM 1592 CA TYR 102 18.588 -36.105 27.932 1.00 65.23 ATOM 1593 HA TYR 102 18.505 -35.169 28.466 1.00 0.03 ATOM 1594 CB TYR 102 18.143 -37.239 28.865 1.00 1.13 ATOM 1595 HB1 TYR 102 18.214 -38.179 28.334 1.00 38.98 ATOM 1596 HB2 TYR 102 17.115 -37.077 29.152 1.00 43.32 ATOM 1597 CG TYR 102 18.973 -37.352 30.135 1.00 65.34 ATOM 1598 CD1 TYR 102 19.163 -36.252 30.969 1.00 44.31 ATOM 1599 HD1 TYR 102 18.709 -35.306 30.704 1.00 4.11 ATOM 1600 CD2 TYR 102 19.567 -38.556 30.497 1.00 11.54 ATOM 1601 HD2 TYR 102 19.430 -39.420 29.864 1.00 33.34 ATOM 1602 CE1 TYR 102 19.926 -36.350 32.119 1.00 24.03 ATOM 1603 HE1 TYR 102 20.062 -35.483 32.752 1.00 62.53 ATOM 1604 CE2 TYR 102 20.326 -38.660 31.645 1.00 22.22 ATOM 1605 HE2 TYR 102 20.779 -39.605 31.906 1.00 31.32 ATOM 1606 CZ TYR 102 20.503 -37.559 32.452 1.00 64.40 ATOM 1607 OH TYR 102 21.271 -37.668 33.591 1.00 23.44 ATOM 1608 HH TYR 102 22.051 -38.207 33.395 1.00 60.33 ATOM 1609 C TYR 102 20.059 -36.300 27.526 1.00 71.51 ATOM 1610 O TYR 102 20.958 -35.697 28.115 1.00 1.31 ATOM 1611 N GLN 103 20.307 -37.143 26.525 1.00 14.35 ATOM 1612 HN GLN 103 19.557 -37.602 26.089 1.00 38.98 ATOM 1613 CA GLN 103 21.677 -37.404 26.058 1.00 70.31 ATOM 1614 HA GLN 103 22.358 -37.082 26.836 1.00 61.24 ATOM 1615 CB GLN 103 21.887 -38.908 25.821 1.00 4.32 ATOM 1616 HB1 GLN 103 22.882 -39.061 25.427 1.00 38.98 ATOM 1617 HB2 GLN 103 21.167 -39.247 25.088 1.00 20.44 ATOM 1618 CG GLN 103 21.733 -39.770 27.075 1.00 13.41 ATOM 1619 HG1 GLN 103 21.903 -40.803 26.808 1.00 38.98 ATOM 1620 HG2 GLN 103 20.724 -39.661 27.448 1.00 33.00 ATOM 1621 CD GLN 103 22.701 -39.391 28.189 1.00 55.32 ATOM 1622 OE1 GLN 103 23.795 -38.889 27.943 1.00 32.54 ATOM 1623 NE2 GLN 103 22.322 -39.655 29.421 1.00 51.50 ATOM 1624 HE21 GLN 103 21.450 -40.079 29.557 1.00 12.21 ATOM 1625 HE22 GLN 103 22.931 -39.417 30.151 1.00 44.15 ATOM 1626 C GLN 103 22.006 -36.621 24.775 1.00 33.21 ATOM 1627 O GLN 103 23.068 -36.812 24.178 1.00 31.41 ATOM 1628 N GLY 104 21.093 -35.744 24.353 1.00 53.53 ATOM 1629 HN GLY 104 20.262 -35.641 24.860 1.00 38.98 ATOM 1630 CA GLY 104 21.314 -34.926 23.160 1.00 20.20 ATOM 1631 HA1 GLY 104 22.143 -34.258 23.346 1.00 38.98 ATOM 1632 HA2 GLY 104 20.428 -34.334 22.982 1.00 71.11 ATOM 1633 C GLY 104 21.611 -35.741 21.901 1.00 72.21 ATOM 1634 O GLY 104 22.546 -35.432 21.161 1.00 34.33 ATOM 1635 N GLN 105 20.816 -36.782 21.657 1.00 70.14 ATOM 1636 HN GLN 105 20.075 -36.965 22.272 1.00 38.98 ATOM 1637 CA GLN 105 21.009 -37.650 20.487 1.00 15.41 ATOM 1638 HA GLN 105 22.072 -37.709 20.296 1.00 55.43 ATOM 1639 CB GLN 105 20.482 -39.066 20.774 1.00 2.51 ATOM 1640 HB1 GLN 105 20.660 -39.686 19.905 1.00 38.98 ATOM 1641 HB2 GLN 105 19.418 -39.011 20.948 1.00 43.44 ATOM 1642 CG GLN 105 21.127 -39.742 21.981 1.00 13.31 ATOM 1643 HG1 GLN 105 20.661 -40.706 22.128 1.00 38.98 ATOM 1644 HG2 GLN 105 20.959 -39.129 22.855 1.00 64.51 ATOM 1645 CD GLN 105 22.623 -39.947 21.811 1.00 53.13 ATOM 1646 OE1 GLN 105 23.066 -40.960 21.285 1.00 53.24 ATOM 1647 NE2 GLN 105 23.414 -38.992 22.262 1.00 51.20 ATOM 1648 HE21 GLN 105 23.006 -38.205 22.679 1.00 64.23 ATOM 1649 HE22 GLN 105 24.378 -39.111 22.159 1.00 31.34 ATOM 1650 C GLN 105 20.321 -37.071 19.236 1.00 74.41 ATOM 1651 O GLN 105 20.949 -36.375 18.436 1.00 42.04 ATOM 1652 N ASN 106 19.026 -37.352 19.071 1.00 5.21 ATOM 1653 HN ASN 106 18.573 -37.929 19.723 1.00 38.98 ATOM 1654 CA ASN 106 18.263 -36.823 17.934 1.00 44.01 ATOM 1655 HA ASN 106 18.967 -36.410 17.224 1.00 63.14 ATOM 1656 CB ASN 106 17.469 -37.941 17.246 1.00 70.02 ATOM 1657 HB1 ASN 106 16.962 -37.537 16.381 1.00 38.98 ATOM 1658 HB2 ASN 106 16.734 -38.332 17.937 1.00 64.14 ATOM 1659 CG ASN 106 18.355 -39.082 16.793 1.00 73.43 ATOM 1660 OD1 ASN 106 18.910 -39.059 15.698 1.00 64.42 ATOM 1661 ND2 ASN 106 18.487 -40.097 17.619 1.00 24.22 ATOM 1662 HD21 ASN 106 18.006 -40.062 18.476 1.00 25.44 ATOM 1663 HD22 ASN 106 19.062 -40.840 17.347 1.00 44.13 ATOM 1664 C ASN 106 17.313 -35.707 18.381 1.00 63.31 ATOM 1665 O ASN 106 16.154 -35.958 18.721 1.00 45.11 ATOM 1666 N PHE 107 17.809 -34.472 18.393 1.00 72.05 ATOM 1667 HN PHE 107 18.740 -34.324 18.124 1.00 38.98 ATOM 1668 CA PHE 107 16.989 -33.332 18.799 1.00 73.10 ATOM 1669 HA PHE 107 16.491 -33.601 19.722 1.00 63.21 ATOM 1670 CB PHE 107 17.853 -32.087 19.052 1.00 31.51 ATOM 1671 HB1 PHE 107 18.312 -31.778 18.123 1.00 38.98 ATOM 1672 HB2 PHE 107 18.627 -32.332 19.766 1.00 64.10 ATOM 1673 CG PHE 107 17.065 -30.922 19.601 1.00 31.55 ATOM 1674 CD1 PHE 107 16.742 -30.862 20.950 1.00 42.11 ATOM 1675 HD1 PHE 107 17.073 -31.651 21.611 1.00 72.11 ATOM 1676 CD2 PHE 107 16.632 -29.896 18.770 1.00 62.31 ATOM 1677 HD2 PHE 107 16.875 -29.929 17.718 1.00 43.35 ATOM 1678 CE1 PHE 107 16.008 -29.806 21.456 1.00 11.13 ATOM 1679 HE1 PHE 107 15.763 -29.773 22.508 1.00 3.00 ATOM 1680 CE2 PHE 107 15.900 -28.839 19.273 1.00 34.30 ATOM 1681 HE2 PHE 107 15.571 -28.047 18.615 1.00 21.01 ATOM 1682 CZ PHE 107 15.587 -28.794 20.617 1.00 54.11 ATOM 1683 HZ PHE 107 15.013 -27.968 21.011 1.00 53.40 ATOM 1684 C PHE 107 15.920 -33.027 17.741 1.00 54.53 ATOM 1685 O PHE 107 14.846 -32.527 18.064 1.00 70.12 ATOM 1686 N ASN 108 16.220 -33.342 16.481 1.00 33.13 ATOM 1687 HN ASN 108 17.115 -33.696 16.285 1.00 38.98 ATOM 1688 CA ASN 108 15.268 -33.156 15.377 1.00 44.35 ATOM 1689 HA ASN 108 15.154 -32.090 15.231 1.00 32.01 ATOM 1690 CB ASN 108 15.830 -33.766 14.080 1.00 24.22 ATOM 1691 HB1 ASN 108 16.633 -33.138 13.717 1.00 38.98 ATOM 1692 HB2 ASN 108 15.048 -33.800 13.336 1.00 51.31 ATOM 1693 CG ASN 108 16.374 -35.176 14.265 1.00 20.55 ATOM 1694 OD1 ASN 108 15.934 -35.924 15.130 1.00 71.24 ATOM 1695 ND2 ASN 108 17.334 -35.553 13.446 1.00 43.05 ATOM 1696 HD21 ASN 108 17.644 -34.915 12.770 1.00 71.25 ATOM 1697 HD22 ASN 108 17.698 -36.455 13.548 1.00 31.43 ATOM 1698 C ASN 108 13.878 -33.746 15.697 1.00 53.13 ATOM 1699 O ASN 108 12.851 -33.142 15.371 1.00 2.03 ATOM 1700 N LYS 109 13.848 -34.917 16.341 1.00 35.12 ATOM 1701 HN LYS 109 14.694 -35.380 16.529 1.00 38.98 ATOM 1702 CA LYS 109 12.583 -35.531 16.764 1.00 10.13 ATOM 1703 HA LYS 109 11.912 -35.515 15.916 1.00 62.21 ATOM 1704 CB LYS 109 12.794 -36.989 17.200 1.00 12.11 ATOM 1705 HB1 LYS 109 11.845 -37.392 17.529 1.00 38.98 ATOM 1706 HB2 LYS 109 13.484 -37.005 18.033 1.00 64.40 ATOM 1707 CG LYS 109 13.348 -37.902 16.107 1.00 65.15 ATOM 1708 HG1 LYS 109 14.379 -37.635 15.915 1.00 38.98 ATOM 1709 HG2 LYS 109 12.767 -37.760 15.205 1.00 2.21 ATOM 1710 CD LYS 109 13.281 -39.376 16.514 1.00 5.12 ATOM 1711 HD1 LYS 109 13.729 -39.974 15.732 1.00 38.98 ATOM 1712 HD2 LYS 109 12.245 -39.659 16.632 1.00 70.32 ATOM 1713 CE LYS 109 14.015 -39.646 17.824 1.00 63.24 ATOM 1714 HE1 LYS 109 13.633 -38.977 18.582 1.00 38.98 ATOM 1715 HE2 LYS 109 15.068 -39.455 17.678 1.00 11.42 ATOM 1716 NZ LYS 109 13.844 -41.050 18.292 1.00 5.51 ATOM 1717 HZ1 LYS 109 12.836 -41.283 18.373 1.00 11.41 ATOM 1718 HZ2 LYS 109 14.288 -41.169 19.229 1.00 45.31 ATOM 1719 HZ3 LYS 109 14.290 -41.712 17.625 1.00 61.24 ATOM 1720 C LYS 109 11.943 -34.736 17.914 1.00 22.41 ATOM 1721 O LYS 109 10.731 -34.505 17.926 1.00 3.43 ATOM 1722 N VAL 110 12.769 -34.314 18.872 1.00 13.12 ATOM 1723 HN VAL 110 13.720 -34.538 18.810 1.00 38.98 ATOM 1724 CA VAL 110 12.299 -33.516 20.013 1.00 5.11 ATOM 1725 HA VAL 110 11.558 -34.098 20.546 1.00 31.31 ATOM 1726 CB VAL 110 13.462 -33.188 20.987 1.00 64.34 ATOM 1727 HB VAL 110 14.168 -32.555 20.466 1.00 31.11 ATOM 1728 CG1 VAL 110 12.955 -32.420 22.208 1.00 45.14 ATOM 1729 HG11 VAL 110 13.778 -32.233 22.884 1.00 0.02 ATOM 1730 HG12 VAL 110 12.199 -33.002 22.716 1.00 5.23 ATOM 1731 HG13 VAL 110 12.530 -31.477 21.893 1.00 44.02 ATOM 1732 CG2 VAL 110 14.195 -34.462 21.407 1.00 13.24 ATOM 1733 HG21 VAL 110 15.009 -34.209 22.071 1.00 33.22 ATOM 1734 HG22 VAL 110 14.588 -34.959 20.532 1.00 1.52 ATOM 1735 HG23 VAL 110 13.508 -35.124 21.916 1.00 62.45 ATOM 1736 C VAL 110 11.654 -32.203 19.538 1.00 43.34 ATOM 1737 O VAL 110 10.543 -31.858 19.941 1.00 31.33 ATOM 1738 N LEU 111 12.357 -31.487 18.663 1.00 31.31 ATOM 1739 HN LEU 111 13.240 -31.806 18.394 1.00 38.98 ATOM 1740 CA LEU 111 11.855 -30.234 18.097 1.00 11.43 ATOM 1741 HA LEU 111 11.651 -29.564 18.921 1.00 75.31 ATOM 1742 CB LEU 111 12.918 -29.597 17.187 1.00 41.15 ATOM 1743 HB1 LEU 111 13.065 -30.245 16.335 1.00 38.98 ATOM 1744 HB2 LEU 111 13.847 -29.544 17.739 1.00 62.13 ATOM 1745 CG LEU 111 12.587 -28.186 16.666 1.00 73.24 ATOM 1746 HG LEU 111 11.672 -28.230 16.091 1.00 42.13 ATOM 1747 CD1 LEU 111 12.362 -27.216 17.823 1.00 3.50 ATOM 1748 HD11 LEU 111 13.253 -27.167 18.434 1.00 14.32 ATOM 1749 HD12 LEU 111 11.532 -27.557 18.424 1.00 60.33 ATOM 1750 HD13 LEU 111 12.140 -26.233 17.432 1.00 21.14 ATOM 1751 CD2 LEU 111 13.695 -27.680 15.745 1.00 64.02 ATOM 1752 HD21 LEU 111 14.633 -27.661 16.282 1.00 44.42 ATOM 1753 HD22 LEU 111 13.456 -26.682 15.407 1.00 72.41 ATOM 1754 HD23 LEU 111 13.783 -28.336 14.891 1.00 72.12 ATOM 1755 C LEU 111 10.550 -30.468 17.317 1.00 21.32 ATOM 1756 O LEU 111 9.610 -29.684 17.424 1.00 43.24 ATOM 1757 N SER 112 10.494 -31.559 16.546 1.00 72.34 ATOM 1758 HN SER 112 11.291 -32.125 16.459 1.00 38.98 ATOM 1759 CA SER 112 9.264 -31.926 15.821 1.00 62.02 ATOM 1760 HA SER 112 9.022 -31.109 15.154 1.00 31.43 ATOM 1761 CB SER 112 9.468 -33.203 14.988 1.00 43.21 ATOM 1762 HB1 SER 112 9.776 -34.011 15.636 1.00 38.98 ATOM 1763 HB2 SER 112 10.234 -33.028 14.244 1.00 62.31 ATOM 1764 OG SER 112 8.266 -33.581 14.324 1.00 61.32 ATOM 1765 HG SER 112 8.344 -34.496 14.013 1.00 54.22 ATOM 1766 C SER 112 8.093 -32.129 16.792 1.00 60.31 ATOM 1767 O SER 112 6.960 -31.736 16.508 1.00 71.42 ATOM 1768 N SER 113 8.374 -32.740 17.943 1.00 74.13 ATOM 1769 HN SER 113 9.287 -33.070 18.096 1.00 38.98 ATOM 1770 CA SER 113 7.356 -32.941 18.986 1.00 30.53 ATOM 1771 HA SER 113 6.520 -33.458 18.535 1.00 43.01 ATOM 1772 CB SER 113 7.915 -33.800 20.127 1.00 53.54 ATOM 1773 HB1 SER 113 8.736 -33.279 20.602 1.00 38.98 ATOM 1774 HB2 SER 113 8.271 -34.738 19.726 1.00 4.15 ATOM 1775 OG SER 113 6.923 -34.074 21.103 1.00 50.21 ATOM 1776 HG SER 113 6.374 -34.808 20.802 1.00 12.32 ATOM 1777 C SER 113 6.861 -31.598 19.544 1.00 4.22 ATOM 1778 O SER 113 5.656 -31.375 19.677 1.00 74.20 ATOM 1779 N LEU 114 7.800 -30.704 19.851 1.00 71.32 ATOM 1780 HN LEU 114 8.742 -30.950 19.735 1.00 38.98 ATOM 1781 CA LEU 114 7.474 -29.366 20.362 1.00 15.14 ATOM 1782 HA LEU 114 6.894 -29.488 21.265 1.00 14.52 ATOM 1783 CB LEU 114 8.766 -28.610 20.699 1.00 41.51 ATOM 1784 HB1 LEU 114 8.500 -27.630 21.070 1.00 38.98 ATOM 1785 HB2 LEU 114 9.332 -28.487 19.785 1.00 13.33 ATOM 1786 CG LEU 114 9.673 -29.289 21.740 1.00 65.34 ATOM 1787 HG LEU 114 9.939 -30.275 21.382 1.00 13.23 ATOM 1788 CD1 LEU 114 10.967 -28.499 21.932 1.00 23.51 ATOM 1789 HD11 LEU 114 10.736 -27.506 22.289 1.00 60.23 ATOM 1790 HD12 LEU 114 11.492 -28.429 20.989 1.00 32.35 ATOM 1791 HD13 LEU 114 11.594 -29.003 22.654 1.00 30.20 ATOM 1792 CD2 LEU 114 8.937 -29.455 23.070 1.00 11.25 ATOM 1793 HD21 LEU 114 8.053 -30.059 22.920 1.00 52.21 ATOM 1794 HD22 LEU 114 8.648 -28.485 23.449 1.00 61.34 ATOM 1795 HD23 LEU 114 9.586 -29.941 23.784 1.00 60.03 ATOM 1796 C LEU 114 6.646 -28.564 19.343 1.00 22.43 ATOM 1797 O LEU 114 5.610 -27.987 19.682 1.00 41.11 ATOM 1798 N VAL 115 7.109 -28.533 18.094 1.00 75.04 ATOM 1799 HN VAL 115 7.961 -28.974 17.894 1.00 38.98 ATOM 1800 CA VAL 115 6.383 -27.856 17.014 1.00 23.31 ATOM 1801 HA VAL 115 6.297 -26.812 17.281 1.00 54.43 ATOM 1802 CB VAL 115 7.147 -27.952 15.665 1.00 31.30 ATOM 1803 HB VAL 115 7.289 -28.999 15.430 1.00 24.01 ATOM 1804 CG1 VAL 115 6.344 -27.316 14.530 1.00 33.34 ATOM 1805 HG11 VAL 115 6.896 -27.402 13.604 1.00 55.15 ATOM 1806 HG12 VAL 115 6.171 -26.271 14.749 1.00 4.14 ATOM 1807 HG13 VAL 115 5.395 -27.823 14.431 1.00 5.31 ATOM 1808 CG2 VAL 115 8.525 -27.298 15.777 1.00 22.33 ATOM 1809 HG21 VAL 115 8.409 -26.249 16.013 1.00 71.51 ATOM 1810 HG22 VAL 115 9.050 -27.399 14.838 1.00 52.24 ATOM 1811 HG23 VAL 115 9.092 -27.782 16.559 1.00 62.54 ATOM 1812 C VAL 115 4.971 -28.441 16.846 1.00 65.24 ATOM 1813 O VAL 115 3.996 -27.703 16.701 1.00 33.24 ATOM 1814 N THR 116 4.867 -29.769 16.878 1.00 52.43 ATOM 1815 HN THR 116 5.683 -30.309 16.958 1.00 38.98 ATOM 1816 CA THR 116 3.566 -30.446 16.787 1.00 63.40 ATOM 1817 HA THR 116 3.079 -30.101 15.884 1.00 51.25 ATOM 1818 CB THR 116 3.716 -31.983 16.695 1.00 33.33 ATOM 1819 HB THR 116 4.230 -32.334 17.581 1.00 41.33 ATOM 1820 OG1 THR 116 4.495 -32.329 15.539 1.00 24.43 ATOM 1821 HG1 THR 116 5.391 -32.555 15.814 1.00 51.51 ATOM 1822 CG2 THR 116 2.352 -32.668 16.617 1.00 5.31 ATOM 1823 HG21 THR 116 1.785 -32.452 17.515 1.00 54.35 ATOM 1824 HG22 THR 116 2.489 -33.735 16.527 1.00 12.22 ATOM 1825 HG23 THR 116 1.812 -32.301 15.756 1.00 61.24 ATOM 1826 C THR 116 2.676 -30.102 17.985 1.00 54.01 ATOM 1827 O THR 116 1.471 -29.917 17.841 1.00 40.40 ATOM 1828 N LEU 117 3.280 -30.006 19.166 1.00 35.04 ATOM 1829 HN LEU 117 4.238 -30.211 19.231 1.00 38.98 ATOM 1830 CA LEU 117 2.555 -29.609 20.377 1.00 11.41 ATOM 1831 HA LEU 117 1.758 -30.324 20.535 1.00 65.04 ATOM 1832 CB LEU 117 3.504 -29.639 21.585 1.00 75.13 ATOM 1833 HB1 LEU 117 4.277 -28.902 21.423 1.00 38.98 ATOM 1834 HB2 LEU 117 3.969 -30.615 21.623 1.00 72.24 ATOM 1835 CG LEU 117 2.855 -29.360 22.951 1.00 23.34 ATOM 1836 HG LEU 117 2.384 -28.387 22.924 1.00 1.24 ATOM 1837 CD1 LEU 117 1.776 -30.390 23.263 1.00 71.33 ATOM 1838 HD11 LEU 117 2.214 -31.377 23.299 1.00 5.41 ATOM 1839 HD12 LEU 117 1.018 -30.361 22.494 1.00 64.03 ATOM 1840 HD13 LEU 117 1.325 -30.162 24.218 1.00 52.44 ATOM 1841 CD2 LEU 117 3.911 -29.339 24.053 1.00 4.44 ATOM 1842 HD21 LEU 117 4.439 -30.282 24.068 1.00 31.31 ATOM 1843 HD22 LEU 117 3.433 -29.180 25.009 1.00 35.23 ATOM 1844 HD23 LEU 117 4.612 -28.537 23.867 1.00 43.03 ATOM 1845 C LEU 117 1.940 -28.208 20.204 1.00 13.33 ATOM 1846 O LEU 117 0.829 -27.935 20.662 1.00 64.04 ATOM 1847 N ASN 118 2.675 -27.328 19.528 1.00 71.15 ATOM 1848 HN ASN 118 3.593 -27.573 19.277 1.00 38.98 ATOM 1849 CA ASN 118 2.169 -26.001 19.161 1.00 22.01 ATOM 1850 HA ASN 118 1.736 -25.555 20.046 1.00 72.21 ATOM 1851 CB ASN 118 3.335 -25.122 18.679 1.00 40.22 ATOM 1852 HB1 ASN 118 3.805 -25.597 17.827 1.00 38.98 ATOM 1853 HB2 ASN 118 4.061 -25.030 19.476 1.00 34.12 ATOM 1854 CG ASN 118 2.900 -23.725 18.270 1.00 71.54 ATOM 1855 OD1 ASN 118 2.593 -23.474 17.110 1.00 2.40 ATOM 1856 ND2 ASN 118 2.866 -22.808 19.216 1.00 3.02 ATOM 1857 HD21 ASN 118 3.117 -23.066 20.125 1.00 73.22 ATOM 1858 HD22 ASN 118 2.595 -21.900 18.966 1.00 51.43 ATOM 1859 C ASN 118 1.080 -26.109 18.074 1.00 34.33 ATOM 1860 O ASN 118 0.078 -25.397 18.108 1.00 51.42 ATOM 1861 N LYS 119 1.281 -27.019 17.119 1.00 62.24 ATOM 1862 HN LYS 119 2.105 -27.550 17.139 1.00 38.98 ATOM 1863 CA LYS 119 0.313 -27.247 16.034 1.00 70.31 ATOM 1864 HA LYS 119 0.172 -26.306 15.522 1.00 0.13 ATOM 1865 CB LYS 119 0.865 -28.275 15.035 1.00 21.02 ATOM 1866 HB1 LYS 119 0.077 -28.541 14.344 1.00 38.98 ATOM 1867 HB2 LYS 119 1.164 -29.160 15.580 1.00 23.41 ATOM 1868 CG LYS 119 2.064 -27.779 14.225 1.00 73.21 ATOM 1869 HG1 LYS 119 2.804 -27.381 14.905 1.00 38.98 ATOM 1870 HG2 LYS 119 1.733 -26.998 13.556 1.00 25.32 ATOM 1871 CD LYS 119 2.701 -28.897 13.398 1.00 50.31 ATOM 1872 HD1 LYS 119 3.090 -29.651 14.069 1.00 38.98 ATOM 1873 HD2 LYS 119 3.513 -28.481 12.819 1.00 75.13 ATOM 1874 CE LYS 119 1.705 -29.551 12.444 1.00 53.42 ATOM 1875 HE1 LYS 119 1.329 -28.799 11.764 1.00 38.98 ATOM 1876 HE2 LYS 119 0.885 -29.957 13.018 1.00 20.42 ATOM 1877 NZ LYS 119 2.329 -30.648 11.656 1.00 31.53 ATOM 1878 HZ1 LYS 119 2.762 -31.346 12.292 1.00 3.42 ATOM 1879 HZ2 LYS 119 3.067 -30.269 11.028 1.00 71.41 ATOM 1880 HZ3 LYS 119 1.611 -31.128 11.076 1.00 32.42 ATOM 1881 C LYS 119 -1.053 -27.726 16.563 1.00 51.31 ATOM 1882 O LYS 119 -2.097 -27.203 16.171 1.00 61.13 ATOM 1883 N VAL 120 -1.041 -28.731 17.438 1.00 71.32 ATOM 1884 HN VAL 120 -0.181 -29.107 17.718 1.00 38.98 ATOM 1885 CA VAL 120 -2.280 -29.299 17.984 1.00 45.15 ATOM 1886 HA VAL 120 -2.929 -29.521 17.146 1.00 70.52 ATOM 1887 CB VAL 120 -2.016 -30.627 18.743 1.00 21.32 ATOM 1888 HB VAL 120 -2.958 -30.978 19.145 1.00 1.02 ATOM 1889 CG1 VAL 120 -1.486 -31.697 17.788 1.00 11.12 ATOM 1890 HG11 VAL 120 -0.555 -31.363 17.350 1.00 63.11 ATOM 1891 HG12 VAL 120 -2.209 -31.873 17.003 1.00 52.20 ATOM 1892 HG13 VAL 120 -1.318 -32.617 18.331 1.00 64.34 ATOM 1893 CG2 VAL 120 -1.050 -30.414 19.910 1.00 73.12 ATOM 1894 HG21 VAL 120 -0.107 -30.041 19.536 1.00 64.32 ATOM 1895 HG22 VAL 120 -0.886 -31.353 20.421 1.00 12.14 ATOM 1896 HG23 VAL 120 -1.470 -29.699 20.602 1.00 14.42 ATOM 1897 C VAL 120 -3.010 -28.308 18.907 1.00 2.55 ATOM 1898 O VAL 120 -4.237 -28.213 18.880 1.00 25.14 ATOM 1899 N THR 121 -2.259 -27.564 19.716 1.00 51.34 ATOM 1900 HN THR 121 -1.286 -27.691 19.722 1.00 38.98 ATOM 1901 CA THR 121 -2.858 -26.550 20.595 1.00 63.11 ATOM 1902 HA THR 121 -3.671 -27.022 21.132 1.00 34.11 ATOM 1903 CB THR 121 -1.842 -26.016 21.629 1.00 22.31 ATOM 1904 HB THR 121 -2.294 -25.191 22.162 1.00 73.10 ATOM 1905 OG1 THR 121 -0.662 -25.548 20.965 1.00 23.21 ATOM 1906 HG1 THR 121 0.072 -26.143 21.156 1.00 42.30 ATOM 1907 CG2 THR 121 -1.472 -27.100 22.638 1.00 22.31 ATOM 1908 HG21 THR 121 -2.367 -27.461 23.126 1.00 14.04 ATOM 1909 HG22 THR 121 -0.804 -26.687 23.378 1.00 33.15 ATOM 1910 HG23 THR 121 -0.983 -27.918 22.128 1.00 23.33 ATOM 1911 C THR 121 -3.429 -25.382 19.779 1.00 31.23 ATOM 1912 O THR 121 -4.485 -24.837 20.107 1.00 72.13 ATOM 1913 N ALA 122 -2.730 -25.008 18.710 1.00 42.43 ATOM 1914 HN ALA 122 -1.835 -25.390 18.567 1.00 38.98 ATOM 1915 CA ALA 122 -3.250 -24.025 17.754 1.00 33.51 ATOM 1916 HA ALA 122 -3.475 -23.117 18.299 1.00 31.50 ATOM 1917 CB ALA 122 -2.199 -23.702 16.698 1.00 35.14 ATOM 1918 HB1 ALA 122 -1.294 -23.362 17.180 1.00 35.12 ATOM 1919 HB2 ALA 122 -2.570 -22.925 16.045 1.00 13.45 ATOM 1920 HB3 ALA 122 -1.986 -24.587 16.117 1.00 72.24 ATOM 1921 C ALA 122 -4.537 -24.541 17.090 1.00 31.31 ATOM 1922 O ALA 122 -5.491 -23.789 16.884 1.00 22.44 ATOM 1923 N ASP 123 -4.549 -25.836 16.772 1.00 2.42 ATOM 1924 HN ASP 123 -3.737 -26.362 16.921 1.00 38.98 ATOM 1925 CA ASP 123 -5.723 -26.500 16.194 1.00 33.21 ATOM 1926 HA ASP 123 -5.981 -25.982 15.281 1.00 32.11 ATOM 1927 CB ASP 123 -5.367 -27.953 15.859 1.00 73.41 ATOM 1928 HB1 ASP 123 -5.119 -28.474 16.774 1.00 38.98 ATOM 1929 HB2 ASP 123 -4.506 -27.961 15.206 1.00 12.13 ATOM 1930 CG ASP 123 -6.493 -28.697 15.167 1.00 43.41 ATOM 1931 OD1 ASP 123 -7.162 -29.527 15.822 1.00 3.21 ATOM 1932 OD2 ASP 123 -6.705 -28.464 13.958 1.00 40.33 ATOM 1933 C ASP 123 -6.927 -26.446 17.155 1.00 63.13 ATOM 1934 O ASP 123 -8.080 -26.360 16.726 1.00 40.14 ATOM 1935 N ILE 124 -6.651 -26.508 18.458 1.00 43.44 ATOM 1936 HN ILE 124 -5.726 -26.682 18.741 1.00 38.98 ATOM 1937 CA ILE 124 -7.692 -26.341 19.480 1.00 55.20 ATOM 1938 HA ILE 124 -8.496 -27.028 19.251 1.00 73.00 ATOM 1939 CB ILE 124 -7.145 -26.682 20.896 1.00 33.21 ATOM 1940 HB ILE 124 -6.323 -26.011 21.108 1.00 72.40 ATOM 1941 CG1 ILE 124 -6.629 -28.132 20.937 1.00 4.33 ATOM 1942 HG11 ILE 124 -5.881 -28.265 20.169 1.00 38.98 ATOM 1943 HG12 ILE 124 -7.452 -28.807 20.748 1.00 1.21 ATOM 1944 CG2 ILE 124 -8.218 -26.468 21.967 1.00 4.54 ATOM 1945 HG21 ILE 124 -7.812 -26.709 22.939 1.00 0.44 ATOM 1946 HG22 ILE 124 -9.066 -27.107 21.765 1.00 72.21 ATOM 1947 HG23 ILE 124 -8.539 -25.436 21.959 1.00 21.13 ATOM 1948 CD1 ILE 124 -6.008 -28.528 22.262 1.00 71.22 ATOM 1949 HD11 ILE 124 -6.743 -28.433 23.048 1.00 73.22 ATOM 1950 HD12 ILE 124 -5.168 -27.882 22.474 1.00 62.32 ATOM 1951 HD13 ILE 124 -5.670 -29.552 22.208 1.00 4.20 ATOM 1952 C ILE 124 -8.245 -24.902 19.471 1.00 31.24 ATOM 1953 O ILE 124 -9.401 -24.662 19.825 1.00 72.32 ATOM 1954 N GLY 125 -7.412 -23.951 19.050 1.00 51.42 ATOM 1955 HN GLY 125 -6.507 -24.203 18.770 1.00 38.98 ATOM 1956 CA GLY 125 -7.827 -22.554 18.980 1.00 22.20 ATOM 1957 HA1 GLY 125 -8.885 -22.512 18.758 1.00 38.98 ATOM 1958 HA2 GLY 125 -7.288 -22.075 18.177 1.00 62.34 ATOM 1959 C GLY 125 -7.566 -21.782 20.270 1.00 30.11 ATOM 1960 O GLY 125 -8.415 -21.010 20.723 1.00 15.23 ATOM 1961 N LEU 126 -6.392 -21.987 20.865 1.00 3.13 ATOM 1962 HN LEU 126 -5.758 -22.617 20.461 1.00 38.98 ATOM 1963 HA LEU 126 -6.877 -21.309 22.761 1.00 42.25 ATOM 1964 CB LEU 126 -4.859 -22.027 22.802 1.00 42.34 ATOM 1965 HB1 LEU 126 -4.567 -21.453 23.671 1.00 38.98 ATOM 1966 HB2 LEU 126 -4.022 -22.061 22.118 1.00 22.35 ATOM 1967 CG LEU 126 -5.166 -23.464 23.259 1.00 34.24 ATOM 1968 HG LEU 126 -5.372 -24.072 22.388 1.00 12.24 ATOM 1969 CD1 LEU 126 -3.960 -24.070 23.976 1.00 74.31 ATOM 1970 HD11 LEU 126 -3.732 -23.486 24.857 1.00 31.42 ATOM 1971 HD12 LEU 126 -3.107 -24.066 23.315 1.00 45.32 ATOM 1972 HD13 LEU 126 -4.185 -25.086 24.265 1.00 3.02 ATOM 1973 CD2 LEU 126 -6.402 -23.497 24.159 1.00 2.22 ATOM 1974 HD21 LEU 126 -6.602 -24.515 24.459 1.00 11.51 ATOM 1975 HD22 LEU 126 -7.255 -23.109 23.620 1.00 32.12 ATOM 1976 HD23 LEU 126 -6.227 -22.891 25.038 1.00 63.53 ATOM 1977 CA LEU 126 -6.015 -21.293 22.107 1.00 44.23 ATOM 1978 C LEU 126 -5.627 -19.823 21.845 1.00 10.02 ATOM 1979 OT1 LEU 126 -6.345 -18.915 22.323 1.00 38.98 ATOM 1980 OT2 LEU 126 -4.615 -19.581 21.151 1.00 38.98 ATOM 1981 OH2 TIP3 1 -6.205 -47.437 15.517 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.171 -47.596 15.434 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.068 -46.553 15.101 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -5.673 -43.796 9.944 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -5.779 -44.182 9.069 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -4.823 -43.347 9.906 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -11.445 -39.228 17.581 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -11.322 -38.384 17.095 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -11.251 -39.921 16.906 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.751 -48.173 16.215 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.003 -47.786 17.074 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.802 -49.124 16.359 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -3.153 -49.000 17.749 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -2.980 -48.836 18.696 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -2.353 -48.652 17.297 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -10.399 -41.072 15.908 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -10.180 -41.917 16.350 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.536 -40.743 15.577 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.448 -39.917 16.400 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -5.965 -39.741 17.218 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -4.647 -39.361 16.497 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -1.435 -43.957 16.529 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -0.484 -44.173 16.629 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -1.439 -43.149 15.980 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.562 -46.031 17.844 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.467 -46.581 17.035 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.484 -46.190 18.131 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.135 -39.550 18.521 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -7.464 -38.626 18.521 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -7.957 -40.090 18.523 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -9.841 -43.167 17.659 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -9.111 -43.408 18.272 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -10.518 -43.857 17.817 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -9.585 -40.704 18.977 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -10.299 -40.136 18.614 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -9.752 -41.580 18.572 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -5.363 -47.301 20.010 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -5.553 -46.809 19.188 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -5.931 -48.101 19.945 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.361 -54.408 18.164 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.584 -53.575 18.578 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.566 -54.208 17.635 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -9.517 -46.082 21.277 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -8.571 -45.814 21.299 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -9.919 -45.587 22.027 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -7.989 -50.197 21.888 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -7.995 -50.890 22.549 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -8.288 -49.394 22.379 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.946 -47.164 18.827 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.381 -47.945 19.044 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -9.224 -46.821 19.706 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -6.836 -44.334 12.399 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.406 -44.187 11.530 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -7.596 -43.747 12.388 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -8.019 -39.789 15.279 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -8.036 -38.827 15.296 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -7.093 -40.015 15.488 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.784 -47.999 23.225 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -9.206 -47.400 22.584 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.606 -47.433 24.001 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.528 -51.183 17.802 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.334 -52.129 17.653 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -5.986 -50.721 17.130 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -6.013 -53.758 16.842 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -5.575 -54.613 16.822 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.660 -53.288 16.049 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -3.002 -38.559 16.679 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -3.154 -37.593 16.677 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -2.152 -38.661 17.146 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -11.096 -45.357 18.743 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -10.464 -46.045 18.476 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -11.050 -45.355 19.708 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.046 -43.631 19.607 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -7.703 -42.773 19.931 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -7.650 -44.290 20.213 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -7.270 -49.188 19.488 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -7.529 -49.626 20.335 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -7.015 -49.939 18.900 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.854 -45.395 21.284 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.252 -46.105 20.969 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -6.288 -44.845 21.872 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.700 -42.282 15.176 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -3.745 -42.155 15.302 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -5.098 -41.462 15.530 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -2.741 -48.207 20.399 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -3.635 -47.804 20.351 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -2.711 -48.615 21.294 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.869 -52.375 14.792 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.299 -52.307 14.022 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -4.917 -51.454 15.138 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.982 -49.875 15.938 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -4.276 -49.611 16.578 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.393 -49.021 15.675 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -8.698 -37.309 18.300 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.069 -36.715 17.829 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -9.520 -37.246 17.772 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -6.672 -31.355 19.666 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.397 -30.818 20.419 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -6.900 -32.225 20.065 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.572 -35.169 18.708 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -12.077 -34.437 18.297 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -10.870 -34.714 19.221 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -10.834 -36.750 16.658 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -10.806 -36.188 15.854 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -11.171 -36.147 17.358 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.893 -41.385 30.214 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.978 -42.164 29.624 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.323 -41.670 31.053 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.417 -38.844 31.586 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.983 -37.984 31.382 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.264 -38.586 32.009 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -4.562 -43.278 28.330 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.066 -44.103 28.351 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -5.119 -42.674 27.790 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.741 -39.685 30.601 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -1.820 -39.240 31.476 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -2.441 -40.368 30.613 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -7.880 -39.629 29.035 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.894 -39.608 29.010 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -8.098 -39.531 29.990 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -5.207 -39.498 28.685 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.552 -38.773 28.689 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.770 -40.212 29.198 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -5.239 -42.037 32.498 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.014 -41.484 33.263 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -6.211 -41.997 32.459 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.434 -46.284 25.428 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -8.769 -46.676 26.241 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -7.619 -45.803 25.711 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -3.934 -43.149 34.866 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.709 -42.578 35.091 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -4.066 -43.364 33.931 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -6.345 -44.790 26.336 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -5.491 -44.854 25.852 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -6.492 -43.826 26.431 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -6.954 -39.426 26.005 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -6.780 -39.248 26.941 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -7.659 -38.791 25.767 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -9.218 -37.697 25.629 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -9.477 -38.236 24.844 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -9.646 -36.824 25.468 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.269 -43.730 22.767 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -4.974 -43.922 23.679 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -5.558 -42.793 22.801 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -6.515 -42.071 26.761 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -7.467 -42.018 27.009 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -6.342 -41.209 26.326 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -6.375 -39.960 37.460 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -6.591 -40.391 38.315 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -6.110 -39.048 37.712 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -0.027 -43.439 36.355 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -0.960 -43.512 36.639 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 0.322 -42.678 36.872 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -5.964 -41.055 23.049 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -5.163 -40.588 23.384 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.684 -40.699 23.592 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -5.954 -41.375 35.155 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -6.108 -40.814 35.945 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -6.703 -41.160 34.557 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -3.946 -44.638 25.072 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -3.380 -44.919 24.322 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -3.342 -44.657 25.847 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -9.915 -44.824 23.622 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -9.420 -45.310 24.315 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -9.980 -43.927 23.963 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -9.092 -41.366 27.314 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.521 -40.762 26.697 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -8.779 -40.784 28.041 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -3.015 -37.842 29.045 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -2.472 -38.562 29.442 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -3.096 -37.191 29.754 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -8.838 -38.631 20.810 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -9.153 -39.474 20.429 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.912 -37.997 20.068 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -4.120 -40.176 42.079 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.649 -40.915 41.734 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -3.226 -40.341 41.720 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.504 -41.483 20.361 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.369 -41.235 21.301 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -6.686 -40.629 19.910 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -7.078 -41.180 39.893 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -7.738 -41.779 40.260 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -6.220 -41.582 40.156 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.748 -45.006 22.651 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.639 -44.761 22.340 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.153 -44.354 22.210 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -9.811 -39.131 23.395 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -9.344 -38.898 22.569 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -10.744 -39.245 23.112 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 0.814 -43.893 39.349 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 1.733 -44.178 39.155 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 0.750 -43.002 38.924 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.371 -44.705 27.365 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -2.977 -44.063 27.790 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -1.861 -45.084 28.115 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -0.725 -45.362 29.475 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -0.720 -44.958 30.365 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 0.029 -44.924 29.010 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 0.189 -44.545 32.058 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 0.889 -45.214 31.887 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 0.086 -44.547 33.018 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -3.726 -41.470 38.235 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -4.188 -40.861 37.636 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.775 -41.207 38.161 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -0.266 -44.744 25.586 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.457 -45.517 25.028 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -0.995 -44.734 26.242 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -0.214 -48.952 24.595 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.105 -48.053 24.221 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 0.655 -49.374 24.458 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.651 -43.780 37.170 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -3.090 -43.070 37.680 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -3.133 -43.789 36.312 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -8.995 -39.597 36.653 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -8.028 -39.691 36.737 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -9.284 -39.332 37.552 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -10.612 -38.021 33.066 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -11.332 -37.564 33.561 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -10.515 -38.881 33.530 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -7.818 -40.949 33.198 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -7.871 -40.230 32.531 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -8.694 -40.929 33.634 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -6.960 -36.516 21.294 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -6.367 -36.686 22.062 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -7.638 -37.218 21.356 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.429 -36.952 40.025 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.698 -37.130 39.390 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -6.971 -36.797 40.879 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 0.312 -44.045 42.017 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 0.636 -44.961 42.202 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 0.503 -43.916 41.063 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.719 -42.423 40.572 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -4.011 -42.985 40.949 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -4.352 -42.128 39.706 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -2.270 -43.684 41.145 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.491 -43.821 41.728 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -2.197 -44.397 40.484 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -1.715 -40.939 40.926 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -1.826 -41.898 41.094 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -1.493 -40.889 39.976 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -1.426 -45.411 38.972 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -1.925 -44.943 38.264 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -0.618 -44.865 39.095 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 1.491 -42.392 45.762 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 1.020 -43.142 46.133 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 2.377 -42.434 46.175 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -3.542 -37.607 42.538 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.576 -37.769 42.459 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -3.937 -38.512 42.477 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -14.317 -23.248 14.009 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -15.199 -23.389 13.648 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -13.839 -24.086 13.807 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -4.576 -21.366 16.040 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -4.540 -20.748 16.803 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -5.169 -22.077 16.340 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -2.819 -33.927 15.039 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -3.788 -33.926 15.169 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -2.506 -34.643 15.615 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -9.058 -27.220 13.551 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -9.348 -27.039 14.450 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -8.239 -27.757 13.668 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -5.734 -24.694 10.545 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -6.541 -24.970 11.035 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -5.077 -25.370 10.782 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -8.728 -30.031 17.998 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -8.264 -29.736 17.174 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -8.009 -30.358 18.571 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.569 -33.822 15.708 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -6.398 -33.730 15.203 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -5.537 -33.007 16.264 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -10.913 -24.580 15.289 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -11.484 -23.937 15.765 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -10.811 -25.327 15.922 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -6.845 -35.903 16.948 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -6.241 -36.106 17.695 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -6.422 -35.149 16.496 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -2.220 -24.521 12.851 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -2.952 -23.916 13.095 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -2.525 -25.397 13.140 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -4.404 -22.268 10.422 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.041 -21.710 9.925 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -4.834 -23.147 10.460 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -8.027 -25.263 11.879 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -8.174 -26.114 12.345 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -8.922 -24.861 11.843 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -6.795 -30.000 11.695 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -6.759 -30.810 12.237 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -6.817 -29.275 12.359 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -12.912 -25.609 13.719 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -12.999 -26.544 14.002 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -12.141 -25.282 14.225 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -13.383 -20.568 13.706 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -13.740 -21.472 13.663 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -12.435 -20.694 13.903 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -13.564 -29.152 17.383 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -12.729 -29.429 17.811 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -14.207 -29.813 17.675 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -5.180 -33.253 12.454 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -4.311 -33.374 12.859 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.655 -32.669 13.076 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -11.337 -30.609 25.111 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -11.805 -29.781 25.354 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.485 -30.294 24.728 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -6.620 -23.894 13.936 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -5.707 -23.590 13.771 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -6.852 -24.405 13.140 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.232 -25.060 21.649 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -10.636 -24.902 20.885 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.876 -24.474 22.348 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -4.109 -22.600 13.671 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -4.272 -21.889 13.018 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -4.261 -22.161 14.541 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -12.704 -22.662 16.198 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -13.098 -22.015 16.826 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -13.409 -22.810 15.533 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -9.665 -33.514 19.880 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -8.843 -33.588 20.404 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -10.371 -33.372 20.560 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -5.321 -36.439 19.108 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -4.466 -36.589 19.551 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -5.977 -36.458 19.843 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -11.853 -30.200 13.759 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -11.013 -29.927 13.381 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -12.174 -29.404 14.230 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -10.365 -33.216 11.453 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -10.215 -32.356 11.024 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -9.468 -33.597 11.541 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -7.614 -33.617 11.219 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -6.694 -33.643 11.566 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -7.526 -33.883 10.282 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -6.837 -31.610 13.958 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -7.084 -30.807 14.476 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -7.515 -32.276 14.216 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -10.937 -34.938 14.586 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -11.345 -35.198 13.744 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -11.421 -34.128 14.840 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -8.484 -33.466 15.085 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -8.899 -33.129 15.910 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.114 -34.137 14.762 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -12.452 -28.106 25.792 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -12.086 -27.685 26.600 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -13.402 -27.979 25.872 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -12.623 -34.363 12.294 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -11.823 -33.914 11.918 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -13.022 -34.804 11.541 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -7.785 -23.304 9.234 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -6.979 -23.783 9.519 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -8.468 -23.610 9.844 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -7.306 -21.850 6.911 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -7.599 -22.310 6.123 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.548 -22.450 7.646 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -11.772 -27.112 19.567 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -12.733 -27.096 19.458 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -11.609 -26.540 20.343 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -1.861 -29.460 10.633 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -2.803 -29.215 10.458 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -1.843 -29.661 11.594 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -6.351 -20.791 9.277 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.419 -20.807 8.302 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.130 -21.283 9.574 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.626 -24.474 12.161 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.507 -24.152 13.065 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -11.404 -25.049 12.216 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -10.692 -26.734 16.952 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.711 -26.709 17.016 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -10.990 -26.880 17.874 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -5.098 -26.970 12.275 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -5.740 -27.399 12.884 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -4.241 -27.038 12.746 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -9.745 -32.512 17.360 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -9.491 -31.578 17.506 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -9.645 -32.928 18.249 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -8.744 -31.305 10.217 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -8.289 -32.035 10.685 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -8.241 -30.509 10.478 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.402 -33.027 17.105 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -12.697 -32.908 16.172 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -11.447 -32.794 17.083 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -9.753 -23.406 23.371 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -9.847 -22.435 23.227 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -8.803 -23.560 23.324 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -12.620 -32.731 14.435 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.421 -31.815 14.127 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -12.744 -33.241 13.604 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.504 -27.935 15.205 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -13.063 -28.378 15.884 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.775 -27.537 15.724 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -13.596 -31.530 19.025 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -13.236 -32.093 18.304 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -12.833 -30.986 19.303 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.769 -33.355 21.569 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -11.863 -33.285 22.540 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -12.670 -33.589 21.259 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -12.138 -37.725 19.814 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.968 -36.812 19.509 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.984 -38.276 19.021 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.216 -39.202 22.090 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -12.079 -38.589 21.329 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -13.108 -39.530 21.966 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -2.703 -27.355 13.582 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -2.286 -28.215 13.377 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -2.618 -27.275 14.554 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -1.731 -30.024 13.339 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -1.169 -30.804 13.552 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -2.587 -30.220 13.793 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -4.516 -28.954 10.453 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -4.693 -28.123 10.932 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -5.292 -29.511 10.654 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.023 -30.817 14.548 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -4.182 -31.238 15.407 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.906 -30.743 14.154 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -5.702 -31.498 17.074 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -6.261 -30.792 16.677 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -5.954 -31.497 18.022 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -0.073 -18.717 14.394 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 0.538 -18.524 13.646 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -0.424 -19.615 14.192 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -13.730 -20.624 17.827 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.925 -20.662 18.786 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -14.361 -19.959 17.481 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -10.931 -21.003 14.904 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -10.107 -21.537 14.865 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -11.516 -21.515 15.500 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -15.394 -18.527 16.937 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -16.217 -18.542 16.436 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -14.712 -18.260 16.269 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -8.856 -22.762 14.901 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -7.989 -23.187 14.684 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.430 -23.511 15.154 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -3.872 -18.383 14.449 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -4.343 -19.121 13.999 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -3.255 -18.060 13.785 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.678 -18.113 14.904 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -13.711 -18.911 14.331 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -12.734 -17.886 14.937 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -8.221 -33.418 8.476 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -8.515 -32.554 8.823 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.733 -33.538 7.673 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -3.012 -35.830 17.349 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -3.905 -35.469 17.438 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -2.754 -36.053 18.262 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 3.024 -36.692 11.478 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 3.595 -36.016 11.057 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 3.518 -36.945 12.293 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -8.221 -22.835 29.340 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -8.104 -23.258 30.212 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -9.093 -23.144 29.040 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -8.521 -28.717 30.011 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -8.304 -27.755 30.026 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.498 -28.739 29.895 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -10.266 -31.638 28.924 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -10.639 -30.745 29.093 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.476 -32.141 29.736 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -7.992 -26.002 29.973 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.522 -25.521 29.282 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -7.971 -25.396 30.742 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -12.584 -36.647 34.363 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -13.192 -36.663 35.106 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -12.558 -35.700 34.093 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -4.371 -20.462 27.563 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -4.710 -20.176 26.682 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -5.187 -20.633 28.084 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -1.463 -26.455 35.208 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -1.297 -26.407 34.244 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -0.678 -26.888 35.563 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -7.098 -28.499 25.953 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -6.246 -28.190 26.278 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -7.414 -29.111 26.649 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.864 -29.791 24.239 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -8.358 -30.617 24.335 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -8.310 -29.121 24.690 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -7.729 -23.934 31.867 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -7.479 -24.370 32.715 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -7.552 -22.979 32.034 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -8.357 -19.971 25.128 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -8.842 -20.353 24.366 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -8.883 -20.247 25.908 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -0.083 -22.615 37.705 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 0.117 -23.527 38.009 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -1.055 -22.618 37.569 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -7.255 -21.311 32.510 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -6.606 -20.713 32.077 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -7.837 -20.716 32.989 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -5.958 -31.809 37.483 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -5.510 -32.325 38.159 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -6.484 -32.472 36.987 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.248 -40.397 34.436 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.786 -40.038 35.236 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.926 -40.976 34.797 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -7.185 -33.708 21.219 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -6.886 -33.587 22.151 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -7.174 -34.680 21.094 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.643 -31.727 32.888 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -5.946 -32.326 32.588 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -6.158 -31.005 33.350 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -14.339 -33.614 20.614 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -15.112 -34.005 20.204 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -14.159 -32.811 20.078 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -10.534 -35.226 25.264 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -10.301 -34.437 25.793 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -11.140 -34.884 24.589 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -10.124 -32.755 26.471 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -10.238 -32.494 27.412 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -10.620 -32.072 25.975 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -12.303 -33.069 24.243 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -11.979 -32.164 24.439 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -13.145 -33.123 24.703 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.003 -30.317 27.840 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -7.964 -29.714 28.612 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.733 -30.928 28.058 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -10.804 -32.853 31.439 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -10.447 -33.761 31.551 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -10.074 -32.268 31.740 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -11.215 -29.147 29.569 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -11.687 -28.413 29.125 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -11.864 -29.495 30.223 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -10.135 -30.247 34.275 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.890 -30.331 33.330 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -9.616 -30.962 34.718 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -8.851 -27.855 34.913 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -9.284 -28.731 34.847 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.429 -27.270 34.415 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 0.371 -25.130 38.788 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -0.370 -25.363 39.363 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 0.622 -25.981 38.363 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -13.054 -24.619 29.215 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -13.686 -23.948 29.485 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -12.234 -24.114 29.023 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -6.959 -24.680 34.376 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -6.731 -23.947 34.953 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -6.816 -25.475 34.932 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -2.806 -22.884 37.378 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -2.945 -23.363 38.221 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -3.201 -23.477 36.705 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -11.847 -26.836 28.178 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -12.457 -26.155 28.547 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -10.969 -26.449 28.289 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -7.137 -34.104 36.439 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.738 -34.489 37.123 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -6.521 -34.832 36.224 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -7.678 -32.027 25.457 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -7.475 -31.445 26.212 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.512 -32.471 25.718 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -8.497 -32.280 34.909 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -7.843 -32.205 34.189 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -8.158 -33.014 35.464 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -8.919 -37.175 28.380 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -8.661 -38.095 28.578 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -9.153 -37.193 27.431 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -10.820 -23.280 28.366 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -10.892 -23.569 27.428 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -10.647 -22.323 28.302 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -14.426 -20.275 20.534 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -14.916 -19.448 20.306 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -15.070 -20.806 21.017 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -12.339 -25.620 24.273 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -12.196 -26.548 24.522 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -12.134 -25.593 23.321 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -3.647 -24.985 35.832 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -2.915 -25.643 35.773 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -4.441 -25.526 35.966 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -12.565 -30.666 31.439 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -12.871 -30.698 32.363 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.076 -31.503 31.323 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -11.351 -29.781 18.940 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -11.353 -28.881 19.325 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -10.416 -29.928 18.685 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.974 -30.812 31.817 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -8.744 -30.093 31.192 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -8.104 -31.130 32.149 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -3.714 -28.839 40.452 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -3.514 -28.304 39.659 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -4.555 -29.259 40.246 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -5.349 -29.226 36.781 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -5.628 -30.090 37.169 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -5.398 -29.376 35.819 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.655 -35.066 38.476 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.259 -35.741 39.066 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.587 -35.070 38.705 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.521 -37.444 38.145 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.526 -36.833 37.375 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -4.580 -37.706 38.233 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.805 -20.728 22.945 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -9.231 -20.694 22.149 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -10.647 -20.315 22.652 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 0.463 -20.518 36.024 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 0.359 -21.325 36.573 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -0.453 -20.275 35.787 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -3.473 -27.549 38.018 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -2.603 -27.972 37.813 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -4.128 -28.112 37.550 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -1.909 -23.548 33.969 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.352 -24.002 34.709 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -2.372 -23.869 33.186 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -1.104 -28.798 37.628 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -0.826 -29.476 36.965 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -0.320 -28.221 37.715 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -0.996 -32.527 37.243 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -0.723 -31.790 36.645 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -0.364 -33.245 37.038 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -6.749 -20.518 28.927 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -6.626 -20.194 29.837 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -7.301 -21.327 29.030 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.686 -31.202 34.253 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -13.104 -30.857 35.047 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -11.770 -30.839 34.286 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -3.504 -19.841 33.557 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -4.210 -19.237 33.845 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -3.236 -19.485 32.681 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.395 -35.595 31.690 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -10.395 -36.353 32.316 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -11.032 -35.852 31.011 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -12.475 -33.990 33.653 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -12.657 -33.085 33.968 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -11.919 -33.859 32.872 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -7.853 -36.306 30.737 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -8.586 -35.820 31.153 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -8.165 -36.470 29.820 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.209 -33.663 23.811 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.754 -34.249 24.443 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.715 -33.045 24.381 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -10.418 -21.013 26.760 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -10.859 -21.725 26.263 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -11.102 -20.315 26.841 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.931 -39.113 39.338 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.546 -38.267 39.648 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -8.295 -39.787 39.636 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -3.291 -24.998 39.208 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -3.326 -25.834 38.698 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -3.975 -25.102 39.875 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -2.868 -38.272 37.844 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -2.472 -37.388 38.041 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -2.144 -38.897 38.005 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -6.559 -26.841 36.040 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -6.167 -27.601 36.508 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.420 -27.186 35.705 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -3.825 -35.662 40.552 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -3.524 -36.323 41.203 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -4.757 -35.525 40.770 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 1.281 -27.432 37.643 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 1.672 -28.315 37.816 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 1.948 -26.986 37.075 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -0.182 -31.746 42.296 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -0.894 -31.123 42.559 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -0.196 -31.718 41.318 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -2.164 -29.797 42.517 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.673 -29.496 41.731 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.560 -29.320 43.250 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.062 -35.996 35.823 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -4.679 -36.753 35.341 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -4.524 -35.228 35.524 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -2.114 -35.741 38.403 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -2.683 -35.597 39.193 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.920 -34.850 38.086 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -6.032 -36.429 42.318 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -5.157 -36.842 42.482 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.443 -36.392 43.188 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -5.070 -20.155 12.683 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -6.012 -20.343 12.915 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -5.049 -20.212 11.717 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -1.332 -16.088 21.985 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -1.231 -15.370 21.350 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -1.851 -16.769 21.495 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -11.682 -18.680 17.678 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -11.125 -18.795 18.475 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -12.344 -19.393 17.744 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -5.858 -17.014 15.856 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -5.181 -17.481 15.325 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -6.690 -17.154 15.360 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -10.764 -18.283 15.181 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -10.792 -19.238 14.955 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -11.026 -18.257 16.130 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -4.751 -19.931 18.420 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -4.668 -19.947 19.399 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -4.677 -18.984 18.193 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -6.042 -16.816 20.486 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -7.007 -16.852 20.610 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -5.721 -17.651 20.890 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -15.626 -18.034 19.623 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -15.576 -18.165 18.651 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -15.397 -17.109 19.749 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -9.959 -14.139 19.689 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -10.585 -14.547 19.090 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -9.299 -14.818 19.844 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -8.324 -17.222 14.498 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.172 -17.644 14.760 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.581 -16.343 14.209 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -10.144 -19.137 19.888 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -9.554 -19.914 19.950 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -9.626 -18.414 20.309 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -8.527 -17.620 21.440 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -8.962 -17.382 22.284 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -7.776 -18.207 21.718 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.540 -17.160 18.254 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.991 -16.999 17.391 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -5.191 -16.856 18.924 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -1.788 -17.886 16.340 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -1.165 -18.109 15.616 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -2.667 -18.072 15.961 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -2.068 -21.267 11.333 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -1.422 -21.951 11.098 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -2.914 -21.593 10.948 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -7.653 -20.659 13.391 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -8.177 -19.907 13.686 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -8.034 -21.419 13.870 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -12.041 -19.554 21.814 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -11.500 -19.287 21.042 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -12.883 -19.867 21.419 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -2.846 -15.440 34.788 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -1.961 -15.101 34.577 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -2.683 -16.157 35.431 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.072 -17.914 27.841 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.903 -18.841 28.106 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -8.049 -17.877 27.715 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -2.034 -17.637 36.374 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -2.186 -18.608 36.319 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -1.718 -17.500 37.275 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -2.991 -18.570 31.199 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -2.968 -18.462 30.220 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -3.001 -17.647 31.539 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -5.196 -17.481 33.460 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -4.588 -16.956 32.892 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -5.367 -16.905 34.214 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -5.542 -16.605 23.449 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -5.491 -16.061 22.649 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -5.798 -17.499 23.111 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -11.234 -23.537 25.679 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -10.601 -23.491 24.933 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -11.873 -24.228 25.400 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -11.919 -18.324 24.320 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -11.029 -17.928 24.203 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -12.110 -18.737 23.453 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -4.133 -15.275 25.368 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -4.446 -15.564 26.262 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -4.736 -15.735 24.743 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -0.317 -14.343 25.484 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -1.008 -13.643 25.465 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -0.823 -15.176 25.378 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -7.407 -16.360 25.532 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -6.645 -16.459 24.934 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -7.140 -16.840 26.343 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -9.304 -17.569 24.100 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -8.903 -18.420 24.385 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -8.728 -16.886 24.517 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -9.717 -17.782 27.145 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -9.700 -17.345 26.283 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -10.603 -18.175 27.196 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -2.686 -12.982 25.308 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.253 -13.786 25.335 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -3.302 -12.256 25.431 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -1.803 -16.479 24.646 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.682 -16.144 24.933 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -1.811 -16.371 23.670 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -2.800 -17.711 20.348 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.355 -17.438 19.582 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.315 -18.450 20.761 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -4.815 -16.318 27.753 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -5.662 -16.790 27.904 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -4.135 -16.931 28.103 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.305 -16.016 32.127 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -3.062 -15.695 33.023 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -2.638 -15.604 31.537 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -5.634 -19.610 25.291 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -6.602 -19.763 25.342 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -5.498 -19.264 24.400 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -0.298 -18.660 25.196 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -0.575 -19.284 24.517 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -0.828 -17.853 25.014 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -2.318 -20.352 35.991 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.584 -21.181 36.438 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.833 -20.353 35.154 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -5.741 -19.342 31.389 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -4.824 -19.326 31.064 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -5.769 -18.621 32.048 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -12.330 -19.011 26.887 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -12.273 -18.746 25.936 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -13.224 -18.767 27.145 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 11.849 -42.222 15.087 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 12.274 -42.764 15.792 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 10.911 -42.254 15.302 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 11.326 -35.892 10.443 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 11.201 -36.830 10.718 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 11.735 -35.473 11.224 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 3.617 -46.743 18.075 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 4.193 -46.983 17.341 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 3.650 -45.759 18.098 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 8.939 -45.162 21.416 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 8.922 -44.926 20.464 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 9.195 -44.327 21.866 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 3.529 -44.009 18.356 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 4.115 -43.256 18.218 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 3.424 -44.056 19.341 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 9.918 -39.725 14.201 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 10.816 -39.915 13.877 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 10.043 -39.514 15.151 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 12.410 -40.456 13.084 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 13.056 -40.852 12.488 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 12.304 -41.127 13.802 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 15.767 -42.588 16.897 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 16.211 -42.607 17.774 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 16.478 -42.316 16.267 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 17.288 -49.934 22.495 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 18.151 -50.347 22.579 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 17.212 -49.365 23.295 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 8.806 -44.930 18.665 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 9.580 -45.550 18.635 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 8.871 -44.435 17.842 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 2.192 -47.867 22.306 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 2.931 -47.760 21.673 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 1.388 -47.790 21.748 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 8.919 -39.608 10.649 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 8.675 -40.530 10.517 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 8.359 -39.319 11.409 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -5.777 -44.830 14.873 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -5.360 -43.962 15.067 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -6.172 -44.709 13.980 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -2.102 -41.204 15.846 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -1.177 -40.882 15.890 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -2.635 -40.390 15.859 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 9.713 -38.207 8.422 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 9.694 -37.293 8.728 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 9.412 -38.727 9.198 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 2.636 -39.399 15.040 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 2.645 -38.411 14.913 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 3.555 -39.673 14.829 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 11.008 -39.160 6.248 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 10.536 -38.865 7.062 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 10.307 -39.463 5.667 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 14.790 -49.134 21.885 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 14.376 -49.896 21.467 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 15.720 -49.427 22.049 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 3.449 -44.117 21.059 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 4.109 -44.523 21.633 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 2.628 -44.117 21.600 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 6.724 -46.188 20.111 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 7.332 -46.066 20.863 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 7.205 -45.804 19.357 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 11.043 -46.433 18.591 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 11.844 -45.963 18.924 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 11.360 -47.316 18.378 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 1.317 -44.303 22.809 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 0.810 -45.070 23.140 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 1.480 -43.761 23.610 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 14.969 -45.036 16.003 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 15.712 -45.636 16.086 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 15.341 -44.158 16.236 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 9.962 -43.031 22.748 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 9.983 -42.082 22.987 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 10.909 -43.259 22.577 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.261 -44.422 16.815 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 2.049 -44.187 17.349 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 1.270 -43.771 16.074 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.090 -47.439 20.797 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -1.008 -47.752 20.631 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 0.220 -47.141 19.915 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 4.392 -47.452 20.641 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 3.970 -47.370 19.763 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 5.283 -47.049 20.513 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.915 -43.655 17.151 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 12.869 -44.121 18.007 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 13.558 -44.184 16.629 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 9.801 -38.813 16.760 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 9.271 -38.030 16.588 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 9.417 -39.186 17.583 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 0.817 -42.439 14.996 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 0.900 -42.093 14.089 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 0.755 -41.635 15.551 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 7.660 -38.980 12.940 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 7.582 -38.012 13.081 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 8.451 -39.238 13.474 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 11.283 -41.851 19.219 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 11.938 -42.294 19.815 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 10.438 -42.236 19.468 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 5.152 -39.692 13.953 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 6.069 -39.777 13.635 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 4.942 -38.736 13.812 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -0.980 -43.179 21.734 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -0.937 -42.312 22.182 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -0.113 -43.588 21.927 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 5.093 -47.099 23.340 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 6.014 -47.456 23.378 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 4.766 -47.373 22.459 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 2.607 -49.723 24.595 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 2.821 -49.731 23.652 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 2.669 -48.779 24.843 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 13.333 -45.441 24.561 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 12.966 -44.897 23.828 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 13.217 -46.371 24.255 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 11.379 -46.373 21.966 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 10.498 -46.160 21.602 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 11.843 -45.503 21.990 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 10.365 -47.593 24.132 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 10.764 -48.480 24.286 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 10.848 -47.248 23.344 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 1.549 -40.613 12.861 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 1.836 -40.110 13.654 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 2.362 -40.751 12.363 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 0.395 -40.116 16.401 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 0.172 -39.494 17.120 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 1.225 -39.748 16.014 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 20.189 -41.994 15.492 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 21.002 -41.977 14.937 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 20.526 -42.050 16.404 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 0.898 -46.742 18.289 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 1.850 -46.973 18.279 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.859 -45.879 17.825 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 13.273 -45.192 19.448 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 13.254 -44.344 19.961 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 13.926 -45.743 19.928 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 14.836 -46.417 21.346 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 14.882 -47.394 21.430 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 14.148 -46.159 21.974 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -2.514 -49.196 22.936 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -2.979 -49.978 23.244 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -1.761 -49.104 23.553 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -0.919 -47.914 16.615 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -0.779 -47.290 15.899 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -0.276 -47.641 17.301 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 12.918 -35.370 12.674 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 13.729 -35.525 12.134 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 12.809 -36.187 13.176 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 0.619 -38.287 11.476 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 1.514 -37.903 11.504 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 0.704 -39.128 11.957 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 13.553 -36.019 8.803 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 12.690 -36.173 9.239 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 13.555 -36.654 8.046 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 6.033 -44.454 31.627 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 6.417 -45.356 31.663 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 6.241 -44.070 32.507 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 3.745 -48.229 33.891 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 3.127 -48.416 33.157 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 3.586 -48.967 34.527 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 11.656 -42.703 26.169 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 11.233 -43.451 25.698 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 11.691 -42.996 27.100 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -0.527 -46.450 23.331 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -0.276 -46.840 22.465 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -1.412 -46.053 23.161 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 0.251 -47.953 29.841 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 -0.205 -47.088 29.786 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 0.400 -48.201 28.911 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 7.283 -51.756 30.759 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 6.503 -51.380 30.295 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 7.120 -52.703 30.765 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 12.932 -51.485 28.317 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 12.888 -51.869 29.199 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 13.798 -51.012 28.303 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 2.899 -46.796 28.704 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 3.523 -47.426 29.138 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 2.297 -47.371 28.191 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 4.844 -47.989 30.205 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 4.816 -48.938 30.426 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.588 -47.638 30.750 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -2.422 -40.850 35.587 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -2.701 -41.751 35.344 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -1.764 -40.984 36.297 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 1.733 -43.007 25.231 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 0.993 -43.606 25.514 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 1.667 -42.252 25.828 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 7.628 -47.575 23.974 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 7.706 -47.415 24.933 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 8.552 -47.694 23.682 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 19.008 -48.564 36.964 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 19.174 -48.150 36.090 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 18.156 -48.203 37.239 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 13.723 -44.236 34.077 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 13.977 -43.836 34.932 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 13.144 -44.964 34.321 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 7.150 -39.147 37.669 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 8.033 -39.192 37.241 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 6.871 -38.214 37.548 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 12.390 -46.716 26.932 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 12.676 -47.595 26.651 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 12.693 -46.126 26.215 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 3.665 -45.608 34.651 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 2.887 -45.566 35.250 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 3.670 -46.539 34.330 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 1.492 -44.335 28.329 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 2.117 -43.594 28.185 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 2.022 -45.130 28.146 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 1.691 -45.508 36.555 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 2.286 -45.095 37.221 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 1.000 -44.821 36.396 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -1.987 -38.069 32.779 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -1.321 -37.411 33.057 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -2.571 -38.157 33.559 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 14.741 -47.921 38.273 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.975 -47.452 38.670 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 14.458 -48.837 38.228 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 3.798 -41.481 39.166 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 2.831 -41.439 39.278 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 3.942 -41.147 38.247 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.370 -47.297 34.073 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 6.371 -46.691 34.840 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 5.480 -47.706 34.090 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 5.295 -50.626 29.230 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 4.482 -50.633 28.677 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 5.944 -50.141 28.687 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 8.950 -47.002 26.412 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.249 -47.487 27.207 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 9.591 -47.264 25.717 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 11.177 -46.015 29.255 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 11.679 -46.304 28.453 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 10.433 -46.649 29.306 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 2.909 -50.093 35.648 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 2.896 -50.868 36.214 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 2.336 -49.441 36.118 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 9.709 -47.333 32.246 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 9.576 -47.361 33.200 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 10.492 -46.749 32.132 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 9.440 -50.060 30.807 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 8.724 -50.734 30.830 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 9.355 -49.594 31.649 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 1.058 -48.216 27.096 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.494 -47.643 26.423 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 0.325 -48.634 26.605 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 6.614 -48.347 28.158 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 5.929 -48.153 28.830 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 6.273 -47.921 27.339 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 3.253 -50.102 27.427 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 2.413 -49.629 27.534 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 3.288 -50.305 26.476 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 1.922 -47.023 39.378 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 1.115 -46.547 39.147 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 2.044 -47.650 38.648 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 7.041 -47.006 31.497 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 8.016 -47.095 31.449 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 6.833 -47.185 32.448 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 6.765 -43.478 34.186 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.940 -42.605 34.601 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 6.762 -44.105 34.935 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 11.558 -49.933 24.838 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 11.167 -49.831 25.741 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 11.907 -50.850 24.838 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 6.817 -40.894 35.339 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 6.708 -40.563 36.250 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 6.193 -40.344 34.813 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 10.815 -49.782 27.401 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 10.299 -49.322 28.086 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 11.392 -50.388 27.900 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 1.358 -48.245 36.870 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 0.470 -48.313 37.294 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 1.426 -47.301 36.612 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 17.742 -49.091 27.439 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 18.416 -49.291 28.121 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 18.238 -48.604 26.759 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 11.471 -43.352 28.804 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 12.086 -43.040 29.477 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 11.341 -44.307 29.018 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 2.340 -47.019 24.959 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 2.332 -47.098 23.978 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 2.896 -46.229 25.130 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 3.620 -40.731 36.611 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 3.746 -39.932 36.049 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 2.662 -40.877 36.605 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 -3.415 -38.348 35.166 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 -3.169 -39.298 35.087 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 -3.270 -38.149 36.112 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 10.167 -44.685 24.961 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 10.275 -45.606 24.669 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 9.996 -44.189 24.134 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 3.639 -42.655 28.054 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 4.160 -43.393 28.435 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.264 -42.191 27.490 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 12.501 -52.361 25.706 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 12.663 -52.047 26.620 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 12.257 -53.282 25.813 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 9.245 -48.071 28.981 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 9.376 -48.701 29.728 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 8.291 -48.166 28.754 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.905 -45.674 32.001 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 11.846 -45.726 31.027 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 12.643 -45.069 32.167 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 3.881 -44.748 25.538 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 3.168 -44.078 25.474 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 4.552 -44.449 24.886 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 1.437 -46.471 42.011 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.130 -46.838 42.602 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 1.709 -46.760 41.116 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 5.867 -44.493 23.651 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 6.829 -44.436 23.635 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 5.679 -45.445 23.506 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 5.513 -45.637 38.910 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 5.348 -46.409 39.466 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 5.976 -45.002 39.511 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 -0.905 -48.027 38.340 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 -1.378 -48.541 39.000 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 -1.175 -47.099 38.518 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 4.803 -44.853 29.238 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 4.105 -45.535 29.144 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 4.955 -44.794 30.209 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 6.001 -45.380 36.106 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 5.077 -45.383 35.782 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 5.916 -45.491 37.077 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 5.547 -46.853 26.127 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 4.962 -46.071 26.211 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 5.388 -47.167 25.217 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 11.726 -45.049 42.006 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 11.438 -45.787 41.452 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 12.697 -45.156 42.059 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 3.316 -44.144 38.325 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 3.624 -43.231 38.494 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 4.089 -44.704 38.555 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.270 -43.950 38.539 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 12.255 -43.305 37.822 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 11.876 -43.469 39.303 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 11.286 -42.636 40.715 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 11.032 -41.946 41.344 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 11.374 -43.443 41.267 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 16.878 -48.349 24.682 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 16.555 -47.422 24.621 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 16.455 -48.694 25.483 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.391 -48.077 24.030 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 12.791 -48.809 24.290 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 13.928 -48.456 23.304 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 16.064 -45.650 24.746 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 15.085 -45.562 24.705 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 16.338 -44.946 25.369 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 2.249 -46.127 31.371 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 2.195 -47.029 31.749 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 2.338 -46.279 30.410 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 16.004 -45.726 39.370 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 16.966 -45.706 39.184 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 15.687 -46.524 38.898 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 15.344 -50.138 28.508 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 16.156 -49.969 27.985 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 15.419 -49.538 29.255 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 20.433 -49.546 39.042 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 20.305 -50.500 39.053 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 19.909 -49.240 38.260 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 1.611 -48.728 32.128 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 1.079 -48.545 31.317 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 1.138 -49.448 32.563 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 11.938 -37.161 48.158 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 12.476 -37.595 47.461 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 11.128 -37.681 48.186 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 4.150 -42.582 46.443 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 4.791 -42.533 47.161 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 4.426 -41.867 45.826 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 12.855 -38.557 45.929 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 13.013 -39.472 45.592 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 13.228 -37.978 45.229 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 18.249 -41.200 45.331 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 17.966 -40.265 45.340 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 18.363 -41.405 44.388 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 10.143 -38.647 46.034 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 11.124 -38.704 46.006 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 9.844 -39.492 45.632 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 3.176 -38.734 44.105 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 2.876 -37.977 44.647 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 2.661 -38.654 43.280 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 10.527 -36.392 44.421 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 11.163 -35.855 44.922 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 10.312 -37.128 45.020 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 14.499 -45.268 41.608 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 15.017 -45.648 42.361 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 15.126 -45.307 40.845 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 6.465 -43.775 40.639 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 5.985 -43.530 41.448 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 6.858 -42.939 40.337 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 13.994 -43.157 43.457 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 14.128 -43.727 42.677 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 14.823 -43.266 43.977 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 13.505 -36.836 43.841 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 14.174 -36.756 43.108 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 12.652 -36.762 43.386 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 5.085 -40.673 44.708 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 5.199 -41.101 43.833 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 4.406 -39.975 44.546 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 3.494 -47.198 43.628 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 3.793 -47.794 44.316 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 3.635 -46.299 44.008 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 6.999 -37.270 48.861 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 7.138 -36.979 49.767 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 6.966 -38.256 48.929 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 12.969 -41.034 44.885 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 12.109 -41.480 44.823 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 13.575 -41.622 44.394 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 19.426 -45.758 44.303 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 19.503 -45.389 43.396 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 19.816 -45.067 44.871 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 8.165 -40.706 42.260 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 8.908 -40.446 41.666 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 7.418 -40.853 41.654 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 4.842 -41.941 42.197 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 3.986 -42.266 42.558 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 4.635 -41.691 41.285 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.350 -41.013 44.741 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.854 -40.881 43.899 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.920 -41.789 44.559 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 6.572 -40.944 39.733 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 6.863 -40.283 39.065 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 5.637 -41.107 39.510 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 -1.177 -36.516 44.199 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 -2.113 -36.691 44.350 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 -0.898 -37.227 43.587 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 3.757 -44.711 44.689 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 4.012 -44.113 45.416 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 3.309 -44.127 44.049 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 11.196 -42.994 43.875 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 12.166 -43.043 43.741 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.867 -43.829 43.501 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 12.850 -46.417 39.599 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 13.468 -46.075 40.272 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 12.539 -45.612 39.130 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 2.405 -42.732 43.211 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 1.618 -43.109 42.759 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 2.042 -42.358 44.045 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 0.588 -34.407 44.068 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 0.152 -33.611 43.722 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 -0.139 -35.070 44.135 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 20.422 -43.340 45.562 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 19.646 -42.798 45.331 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 20.619 -43.093 46.473 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 12.632 -34.997 45.648 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 13.143 -35.592 45.054 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 13.325 -34.509 46.150 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 -0.969 -38.566 42.328 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 -1.138 -39.463 41.974 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 -0.011 -38.421 42.162 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 16.863 -38.692 44.728 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 15.974 -38.736 45.099 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 16.711 -38.543 43.761 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 8.381 -19.817 -3.293 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 7.559 -19.361 -3.612 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 8.105 -20.729 -3.153 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 13.727 -24.997 -0.041 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 13.990 -24.103 0.261 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 13.999 -25.023 -0.962 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 17.876 -25.530 5.130 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 17.320 -24.882 5.571 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 18.208 -26.098 5.863 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 10.446 -23.570 3.858 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 9.756 -23.343 4.506 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.601 -24.528 3.998 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 12.652 -22.269 2.828 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 11.852 -22.786 3.093 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.310 -21.357 2.681 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 14.809 -27.331 3.541 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 15.663 -27.047 3.137 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 14.131 -27.053 2.888 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 13.514 -21.952 5.402 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 14.218 -21.265 5.390 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 13.360 -22.156 4.455 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 14.585 -19.930 -0.233 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 14.548 -20.874 0.025 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 13.926 -19.851 -0.957 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 3.612 -24.879 8.435 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 4.446 -25.304 8.171 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 3.813 -23.922 8.424 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 12.686 -26.636 1.839 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 13.061 -25.968 1.215 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 12.135 -27.195 1.279 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 9.930 -28.452 4.991 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 10.242 -27.604 4.612 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 10.694 -29.056 4.881 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 11.264 -26.195 4.156 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 11.757 -26.254 3.310 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 11.922 -26.458 4.834 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 16.224 -17.855 -1.202 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 15.936 -17.165 -0.566 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 15.768 -18.667 -0.897 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 16.170 -17.578 3.165 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 16.742 -18.117 3.729 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 16.788 -16.962 2.719 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 14.542 -22.528 0.893 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 15.336 -22.493 1.438 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 13.800 -22.461 1.543 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 13.134 -27.412 5.742 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 12.839 -28.336 5.609 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 13.894 -27.315 5.130 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.780 -20.275 5.348 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 8.792 -21.250 5.444 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 8.192 -19.973 6.075 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 9.893 -18.328 3.792 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 9.517 -18.991 4.425 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 9.275 -18.340 3.050 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 10.863 -18.944 0.012 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 11.219 -19.385 0.808 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 11.578 -19.036 -0.653 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.959 -19.650 2.491 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 12.627 -18.960 2.293 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 11.286 -19.186 3.030 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 13.953 -17.955 1.549 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 14.201 -18.681 0.934 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.768 -17.798 2.074 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 15.064 -19.729 5.735 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 15.056 -19.602 6.708 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 14.704 -18.890 5.385 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 0.704 -32.659 10.710 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 0.679 -33.614 10.931 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 -0.054 -32.533 10.105 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 11.756 -30.812 10.750 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 11.211 -31.401 10.199 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 12.226 -31.423 11.355 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 0.351 -28.478 9.323 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 0.735 -27.623 9.626 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 -0.472 -28.577 9.851 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 12.032 -26.052 7.858 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 12.094 -26.673 8.617 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 12.497 -26.523 7.129 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 17.164 -27.616 12.223 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 18.040 -28.026 12.142 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 17.207 -27.140 13.083 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 17.118 -28.266 9.446 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 16.953 -27.826 10.302 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 17.108 -29.219 9.665 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 13.314 -37.820 6.790 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 13.944 -38.295 6.244 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 12.450 -38.245 6.582 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 2.969 -19.720 10.816 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 2.796 -20.668 10.984 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 3.763 -19.717 10.256 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 12.239 -29.905 4.767 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 12.611 -30.450 5.508 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 12.552 -30.347 3.972 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 6.133 -32.350 13.208 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 6.847 -32.706 13.780 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 5.325 -32.424 13.756 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 -0.502 -32.394 14.171 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 -1.305 -32.870 14.470 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 0.177 -33.096 14.097 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -1.339 -31.694 9.125 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 -2.198 -32.062 8.894 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -1.555 -30.879 9.634 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.311 -31.946 6.364 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 4.939 -32.389 5.598 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 5.570 -31.058 6.027 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 5.786 -29.400 5.545 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 5.003 -29.014 5.986 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 6.515 -28.796 5.778 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 3.224 -33.032 12.753 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 2.614 -33.610 13.256 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 3.595 -33.619 12.061 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 11.562 -28.125 9.681 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 10.612 -28.075 9.492 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 11.702 -29.049 9.965 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 11.904 -28.938 12.837 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 12.807 -29.170 13.075 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 11.700 -29.515 12.079 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 9.350 -26.548 8.396 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 10.258 -26.257 8.182 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 8.844 -25.715 8.476 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 13.406 -31.253 6.718 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 13.275 -32.023 7.313 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 14.238 -30.846 7.034 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 6.620 -23.017 10.447 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 6.097 -23.484 11.125 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 6.826 -22.167 10.856 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 0.403 -30.456 7.400 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 -0.214 -31.082 7.823 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 0.243 -29.614 7.867 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 4.990 -30.669 11.172 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 5.145 -31.221 10.373 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 5.414 -31.176 11.897 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 6.599 -20.356 12.014 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 6.848 -20.878 12.810 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 6.291 -19.491 12.382 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.803 -19.253 8.370 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.980 -20.071 8.886 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.200 -18.733 8.945 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 8.957 -22.942 6.232 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 9.856 -23.219 6.511 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 8.357 -23.441 6.826 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 7.511 -24.436 8.228 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 6.824 -25.125 8.181 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 7.227 -23.865 8.981 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 2.607 -29.971 9.027 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 1.907 -29.299 9.174 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 2.202 -30.598 8.400 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.819 -33.251 9.483 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 11.660 -33.113 8.998 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 10.820 -34.207 9.691 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 8.801 -30.256 7.744 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 8.252 -29.486 7.518 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.491 -30.259 7.071 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 7.133 -34.093 11.310 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 7.621 -33.568 10.644 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 6.818 -33.425 11.956 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 5.510 -20.145 9.443 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 5.850 -20.329 10.341 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 5.128 -20.999 9.149 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 5.544 -32.381 9.043 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 5.397 -32.233 8.078 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.519 -32.466 9.124 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 3.672 -22.121 8.735 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 3.270 -22.302 9.616 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.973 -21.673 8.246 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 3.712 -28.381 7.041 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 3.476 -28.945 7.810 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 2.869 -28.223 6.598 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 0.040 -23.083 12.162 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 -0.071 -22.472 12.910 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 -0.679 -23.743 12.286 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 4.568 -27.916 10.470 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 5.215 -27.568 9.836 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 4.878 -28.823 10.657 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 11.598 -23.526 6.852 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 11.831 -24.403 7.237 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 12.366 -23.298 6.296 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 5.693 -26.720 7.891 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 4.918 -27.245 7.584 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 6.452 -27.112 7.408 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 7.853 -27.863 6.588 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 8.491 -28.068 5.862 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 8.406 -27.402 7.265 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 15.750 -29.868 7.402 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 15.977 -29.013 7.807 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 15.971 -29.748 6.447 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 7.392 -19.338 7.540 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 6.668 -19.561 8.165 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 7.169 -18.433 7.228 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 2.195 -26.600 10.028 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 2.493 -25.859 9.457 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 3.030 -27.023 10.319 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 -1.264 -21.137 13.923 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 -1.991 -21.457 14.474 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 -1.655 -21.081 13.019 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 21.266 -28.715 11.232 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 22.134 -28.352 11.530 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 20.661 -28.528 11.986 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 19.657 -28.242 13.381 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 19.506 -29.033 13.927 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 19.122 -27.538 13.826 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 18.546 -26.899 7.429 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 17.951 -27.335 8.072 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 19.434 -26.997 7.825 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 16.007 -29.707 13.800 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 16.485 -29.317 14.565 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 16.185 -29.091 13.074 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 16.622 -31.011 9.707 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 15.942 -31.583 10.126 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 16.223 -30.758 8.845 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 14.838 -32.885 10.638 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 15.096 -33.815 10.821 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 14.260 -32.645 11.392 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 1.232 -34.624 13.918 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 0.872 -34.947 13.066 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 1.702 -35.408 14.292 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 0.627 -35.412 11.366 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 0.065 -36.206 11.317 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 1.541 -35.767 11.294 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 0.214 -21.953 21.777 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 -0.543 -22.147 21.217 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 0.491 -21.051 21.504 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 5.269 -23.472 12.936 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 5.662 -22.691 13.360 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 4.738 -23.890 13.651 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 2.576 -22.475 11.205 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 1.657 -22.716 11.475 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 3.138 -23.055 11.739 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 4.102 -24.532 15.175 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 3.533 -23.967 15.744 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 3.957 -25.424 15.510 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 4.454 -34.421 10.661 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 5.391 -34.547 10.906 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 4.486 -33.755 9.947 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 7.295 -36.208 13.132 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 6.361 -36.487 13.302 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 7.223 -35.576 12.387 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 12.865 -32.627 12.575 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 12.762 -33.604 12.614 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 12.843 -32.352 13.507 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 13.306 -33.315 8.456 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 13.874 -33.070 9.218 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 13.381 -34.293 8.408 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.273 -32.398 9.354 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.372 -31.566 8.835 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 9.185 -32.768 9.381 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 17.130 -23.891 34.936 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 16.838 -24.660 34.398 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 17.257 -23.175 34.275 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 3.458 -23.877 35.483 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 4.069 -23.336 34.933 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 2.988 -23.226 36.020 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 15.300 -24.022 41.812 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 15.941 -23.330 41.576 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 14.485 -23.758 41.344 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 3.209 -26.521 35.957 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 3.221 -26.794 35.034 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 3.345 -25.541 35.919 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 14.404 -20.842 39.590 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 13.916 -21.684 39.617 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.333 -21.102 39.737 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 6.976 -24.107 39.682 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 6.224 -23.860 39.135 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 6.619 -24.103 40.593 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 15.971 -28.304 38.900 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 15.136 -28.570 39.321 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 16.044 -27.344 39.098 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 15.807 -20.866 35.824 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 16.660 -20.930 36.308 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 16.059 -20.493 34.947 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 1.949 -19.294 37.992 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 2.155 -20.105 38.499 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 1.386 -19.609 37.258 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 4.238 -21.820 41.222 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 4.441 -20.895 41.381 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 3.502 -21.797 40.580 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 13.628 -23.617 39.645 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 13.219 -24.492 39.777 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 14.116 -23.702 38.803 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 4.581 -28.588 37.244 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 4.128 -27.832 36.824 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 3.866 -29.235 37.403 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 2.214 -30.051 37.578 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 2.344 -30.912 38.028 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 1.485 -30.226 36.936 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 12.746 -26.243 40.798 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 13.044 -27.030 40.311 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 12.940 -26.456 41.730 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 17.700 -22.047 32.958 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 17.407 -21.154 33.269 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 17.560 -22.019 31.989 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 3.014 -24.364 39.332 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.134 -24.771 39.224 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.587 -25.101 39.635 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 4.878 -22.071 34.044 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 5.596 -21.505 33.705 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 4.156 -21.435 34.260 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 10.755 -19.408 34.563 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 10.424 -18.877 35.307 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 11.681 -19.615 34.813 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.266 -19.674 35.764 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 14.173 -20.050 35.792 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 12.796 -20.138 36.490 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 2.963 -20.353 34.810 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 3.237 -19.418 34.750 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 2.036 -20.313 35.126 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 17.526 -18.315 36.062 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 17.208 -18.649 35.197 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 17.649 -19.122 36.595 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 7.241 -31.767 43.648 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 6.657 -32.349 43.126 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 7.709 -32.382 44.244 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 11.223 -29.643 50.427 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 11.423 -29.113 51.228 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 11.815 -30.411 50.496 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 13.491 -26.728 50.195 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 12.755 -27.065 49.628 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 13.635 -25.830 49.880 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 17.152 -36.647 51.031 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 18.020 -36.692 50.572 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 17.130 -37.440 51.569 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 12.785 -32.086 50.091 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 12.470 -31.954 49.180 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 12.764 -33.056 50.211 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 13.268 -29.633 47.883 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 12.665 -30.380 47.702 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 13.735 -29.489 47.027 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 14.450 -33.415 46.871 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 15.260 -33.930 47.062 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 14.796 -32.536 46.561 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 9.053 -27.413 44.613 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.066 -26.617 45.152 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 9.914 -27.847 44.808 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 17.089 -34.346 46.980 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 17.384 -35.254 46.755 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 17.422 -34.205 47.891 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 5.660 -35.071 47.708 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.454 -34.498 47.721 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 5.957 -35.897 48.131 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 11.387 -27.503 48.642 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 11.612 -27.853 47.770 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 11.205 -28.304 49.181 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 11.641 -28.187 45.170 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 12.369 -28.717 45.543 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 12.061 -27.696 44.441 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 16.167 -25.728 39.769 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 17.038 -25.283 39.672 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 15.667 -25.138 40.363 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.102 -29.011 43.387 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.206 -29.970 43.588 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 7.800 -28.577 43.917 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 15.177 -30.899 49.327 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 14.595 -31.475 49.861 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 14.568 -30.498 48.666 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 3.893 -33.242 40.653 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 3.361 -33.033 39.854 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 3.491 -32.682 41.359 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 12.105 -32.077 47.345 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 12.945 -32.573 47.200 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 11.434 -32.777 47.485 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 8.128 -36.790 46.364 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 8.818 -37.481 46.366 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 7.700 -36.879 47.239 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 5.592 -33.993 42.819 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 4.992 -33.789 42.075 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 4.993 -34.230 43.554 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 2.059 -32.599 38.693 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 1.702 -33.304 38.117 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 1.265 -32.228 39.137 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 10.702 -34.371 47.949 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 11.102 -34.997 47.318 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 11.223 -34.502 48.771 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 4.647 -35.326 45.166 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 3.758 -35.734 45.241 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 4.907 -35.145 46.100 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 8.043 -27.342 40.072 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 8.128 -26.648 40.755 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 7.368 -27.950 40.435 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 10.402 -24.553 40.928 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.666 -24.954 41.435 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 11.087 -25.247 40.909 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 16.044 -26.687 42.442 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 15.964 -25.725 42.604 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 16.313 -26.745 41.508 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.062 -27.831 52.318 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.668 -27.426 51.666 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 11.774 -27.097 52.863 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 -0.242 -31.294 39.522 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 -0.704 -31.795 38.812 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 -0.507 -30.375 39.371 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 13.630 -27.493 43.380 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 14.492 -27.192 43.019 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 13.883 -28.113 44.106 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 8.111 -25.646 42.254 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 7.291 -25.126 42.377 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 8.106 -26.280 42.992 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 10.947 -32.994 44.827 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 11.285 -32.256 45.355 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 11.603 -33.707 44.965 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 9.348 -19.105 37.291 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 8.371 -19.031 37.290 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 9.658 -18.184 37.154 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.355 -33.950 44.955 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.211 -33.981 45.919 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 9.306 -33.713 44.860 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 5.582 -24.160 42.007 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 5.036 -24.846 41.582 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 5.074 -23.328 41.869 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 12.762 -34.888 49.644 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 12.605 -35.783 49.274 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 13.744 -34.840 49.745 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 4.831 -26.227 40.144 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 5.038 -27.082 40.579 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 5.396 -26.227 39.344 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 2.571 -31.886 42.578 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 2.732 -31.580 43.476 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 1.593 -31.847 42.483 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 10.744 -22.074 39.899 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 10.814 -21.467 40.644 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.745 -22.970 40.320 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 11.459 -20.716 37.622 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 11.338 -21.187 38.476 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 10.657 -20.145 37.546 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 6.525 -26.757 37.942 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 7.172 -27.069 38.618 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 5.984 -27.552 37.740 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 5.805 -28.646 41.068 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 5.412 -29.508 40.891 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 6.210 -28.747 41.967 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.440 -28.185 46.873 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 16.082 -28.104 47.774 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 15.737 -28.663 46.378 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 15.482 -34.793 49.895 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.931 -35.538 50.354 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.204 -34.172 49.698 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 2.595 -35.325 42.443 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 1.958 -34.813 42.983 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 2.656 -34.830 41.612 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 8.075 -33.648 47.831 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 8.100 -32.799 48.285 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 8.994 -33.993 47.916 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 18.312 -36.702 46.205 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 19.195 -37.117 46.071 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.696 -37.317 45.759 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 22.986 -33.325 49.181 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 22.366 -32.870 49.779 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 22.629 -34.226 49.101 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.142 -36.442 45.362 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.675 -35.735 44.870 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 1.549 -36.650 46.094 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 1.643 -37.826 41.901 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 2.034 -37.016 42.298 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 1.526 -37.588 40.960 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 7.115 -40.870 46.601 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 7.923 -40.999 46.069 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 6.411 -40.729 45.933 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 7.145 -39.973 49.178 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 7.125 -40.288 48.244 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 7.444 -40.736 49.677 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 10.402 -16.765 36.406 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 11.121 -16.404 36.969 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 10.456 -16.235 35.583 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 11.132 -5.627 -1.872 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 10.954 -4.672 -2.029 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 11.215 -6.000 -2.773 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 3.282 -9.244 -1.703 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 3.132 -9.971 -1.054 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 3.438 -8.459 -1.148 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 6.863 -9.481 -8.680 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 6.668 -8.533 -8.812 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 7.353 -9.507 -7.834 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 3.978 -9.821 -5.852 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 3.436 -10.354 -5.237 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 4.213 -10.444 -6.570 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 10.693 -2.141 -5.092 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.572 -1.870 -5.438 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 10.289 -1.302 -4.784 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 3.110 -15.080 -7.669 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 2.868 -14.267 -8.124 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 2.966 -15.771 -8.325 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 11.608 -13.785 -3.797 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 11.114 -14.619 -3.656 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 12.530 -14.075 -3.953 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 2.235 -10.594 -3.842 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 1.450 -10.071 -4.048 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 2.639 -10.126 -3.075 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.498 -18.006 -4.097 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 3.467 -17.126 -4.540 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 2.774 -18.499 -4.497 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 11.110 -6.404 -4.501 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 11.454 -7.312 -4.319 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 11.495 -6.174 -5.374 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 14.083 -16.756 -2.641 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 14.154 -15.936 -3.176 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 15.008 -16.994 -2.443 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 3.642 -15.447 -5.029 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 3.291 -14.664 -4.533 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 3.410 -15.258 -5.968 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.836 -17.830 -1.398 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 9.514 -18.202 -0.786 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 8.629 -18.573 -2.001 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 13.602 -4.128 -4.719 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 13.009 -4.565 -5.357 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 13.462 -3.173 -4.884 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 12.308 -5.570 -6.816 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 13.220 -5.432 -7.168 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 11.727 -5.406 -7.594 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 9.254 -7.565 -9.248 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 8.376 -7.201 -8.999 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 9.059 -8.456 -9.561 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 15.887 -8.877 1.482 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 15.004 -9.238 1.667 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 16.404 -9.072 2.295 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 10.953 -5.474 -9.211 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 10.403 -6.299 -9.211 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 10.333 -4.779 -9.464 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 8.073 -9.326 -6.222 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 7.969 -8.382 -5.963 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 9.046 -9.459 -6.266 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 5.332 -6.173 -2.281 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.680 -5.341 -1.892 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 5.017 -5.907 -3.176 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 4.139 -7.097 -0.051 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 4.455 -6.765 -0.921 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 4.841 -6.830 0.571 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 9.120 -4.559 -4.828 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 9.561 -3.733 -5.119 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 9.864 -5.170 -4.634 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 4.545 -3.964 3.877 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 4.817 -4.901 3.972 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 3.661 -3.925 4.319 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 4.117 -6.181 -8.176 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 3.613 -6.592 -7.441 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 3.450 -5.982 -8.839 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 2.877 -7.367 -6.046 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 3.316 -8.251 -6.000 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 1.937 -7.558 -5.831 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 3.002 -3.653 -2.755 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 3.079 -2.707 -2.499 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 2.319 -3.660 -3.430 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 11.835 -16.211 3.811 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 11.528 -15.309 4.041 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 11.022 -16.750 3.804 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 2.773 -13.341 -3.563 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 2.674 -13.470 -2.595 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 2.528 -12.405 -3.704 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 4.957 -11.271 -8.008 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 4.565 -11.585 -8.829 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 5.591 -10.570 -8.299 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.644 -10.192 -6.694 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 10.645 -10.776 -7.461 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 11.333 -9.516 -6.907 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 10.862 -11.184 -4.079 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 10.758 -11.052 -5.043 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 11.108 -12.137 -3.991 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 2.735 -13.913 -0.839 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 2.304 -14.594 -0.301 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 3.674 -13.933 -0.542 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 6.325 -15.923 -5.005 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 6.548 -15.871 -5.940 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 5.373 -15.677 -4.968 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 6.523 -6.131 1.336 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 6.083 -6.084 2.216 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 7.351 -6.608 1.513 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 8.528 -13.875 -1.534 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 8.262 -13.608 -2.439 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 7.919 -14.613 -1.320 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 6.801 -6.748 -8.345 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 6.991 -6.666 -7.390 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 5.870 -6.437 -8.431 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 6.864 -11.800 -6.031 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 6.174 -11.765 -6.723 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 7.335 -10.943 -6.119 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 2.856 -11.256 0.072 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 3.562 -11.517 0.710 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 2.515 -12.108 -0.263 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 14.321 -3.328 -9.986 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 13.946 -4.157 -10.365 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 14.294 -2.693 -10.736 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 4.860 -5.818 -4.942 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 4.660 -4.940 -5.294 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 4.138 -6.388 -5.293 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 7.397 -6.706 -5.568 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 7.975 -5.948 -5.331 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 6.499 -6.417 -5.294 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 13.276 -5.720 -10.663 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 12.427 -5.645 -10.177 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 13.352 -6.656 -10.860 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 3.348 -4.158 -0.068 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 3.219 -4.037 -1.033 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 3.199 -5.103 0.073 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 7.313 -13.508 -3.964 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 7.272 -13.100 -4.857 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 7.117 -14.453 -4.125 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.287 -16.173 -3.055 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 10.662 -16.928 -3.545 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.631 -16.584 -2.458 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 12.151 -8.791 -3.843 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 11.665 -9.644 -3.865 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 13.043 -9.017 -4.185 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 6.876 -3.037 2.839 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 6.659 -2.107 2.625 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 6.055 -3.384 3.253 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 4.840 -11.852 1.844 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 5.083 -11.069 2.368 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 4.742 -12.556 2.508 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 6.830 -15.971 -1.129 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 7.475 -16.712 -1.172 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.978 -16.380 -1.396 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 4.232 -16.592 -1.842 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 4.034 -15.729 -2.237 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 4.000 -17.235 -2.545 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 5.292 -14.042 0.045 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 5.780 -13.244 0.309 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 5.978 -14.629 -0.344 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 2.943 -16.694 0.567 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 3.506 -16.674 -0.239 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 2.459 -17.522 0.495 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 7.107 -16.817 6.477 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 7.008 -16.423 5.606 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 7.200 -16.049 7.080 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 4.354 -15.138 2.385 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.767 -14.729 1.597 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 3.744 -15.802 2.010 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 14.761 -5.305 -7.912 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 15.710 -5.176 -7.662 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 14.644 -4.733 -8.694 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 17.600 -7.949 -8.855 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 17.381 -7.659 -9.750 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 18.363 -8.528 -8.974 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 12.514 -8.330 -7.342 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 13.489 -8.338 -7.339 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 12.284 -7.392 -7.233 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 0.266 -8.139 -5.578 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 -0.161 -8.842 -6.079 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 -0.464 -7.606 -5.243 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 10.875 -3.047 -2.538 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 10.757 -2.715 -3.453 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 11.839 -2.943 -2.365 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 3.111 -9.033 1.705 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 2.848 -9.791 1.148 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 3.291 -8.317 1.068 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.575 -4.303 -0.774 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 6.141 -3.434 -0.595 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 6.418 -4.825 0.043 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 14.021 -17.347 4.915 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 13.239 -16.983 4.437 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 14.749 -17.288 4.260 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 3.064 -1.126 -1.693 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 2.380 -1.025 -1.020 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 3.447 -0.217 -1.781 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 5.503 -1.821 -0.480 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 5.102 -1.852 0.413 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 4.746 -1.648 -1.073 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 13.343 -2.922 -1.527 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 14.215 -3.151 -1.909 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 13.515 -2.108 -1.009 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 7.633 -0.556 -1.874 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 7.712 -1.380 -2.412 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 6.840 -0.713 -1.325 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 7.718 -3.013 -2.991 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 8.152 -3.601 -3.641 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 7.360 -3.621 -2.318 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 6.203 -18.484 -4.003 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 6.408 -17.563 -4.268 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 5.229 -18.528 -4.034 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 12.699 -19.001 -2.056 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 13.202 -18.181 -2.279 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 12.054 -19.088 -2.790 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 14.554 -15.740 -6.630 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.618 -16.699 -6.622 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 14.752 -15.496 -7.561 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 10.788 -18.773 -4.025 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 10.790 -18.862 -4.983 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 9.941 -19.192 -3.746 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 15.257 -2.180 -7.692 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 15.958 -1.635 -8.068 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.833 -2.600 -8.477 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 12.988 -6.981 14.300 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 12.796 -7.742 13.719 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 13.019 -7.373 15.202 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 12.933 -4.278 15.164 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 12.395 -4.131 15.945 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 12.861 -5.238 14.996 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 7.236 -13.712 13.821 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 7.397 -14.676 13.798 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.493 -13.613 14.465 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 8.213 -12.044 8.790 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 7.712 -12.833 8.530 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 8.235 -12.085 9.769 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.041 -14.889 16.657 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.696 -15.703 16.239 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.516 -14.807 17.478 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 8.259 -3.917 9.522 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 7.605 -3.723 10.200 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 8.481 -3.039 9.144 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 11.656 -1.202 9.174 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 11.969 -1.956 9.712 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 10.729 -1.422 8.969 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 18.837 -10.449 20.505 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 18.623 -10.658 19.575 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 19.803 -10.650 20.580 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 14.335 -11.209 14.074 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.136 -10.808 14.428 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 14.438 -12.159 14.270 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 13.002 -8.170 16.769 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 13.498 -7.864 17.532 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 12.783 -9.102 16.984 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.893 -1.445 8.492 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.539 -1.587 7.582 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.813 -0.493 8.629 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 5.770 -10.723 4.185 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 5.468 -11.632 4.396 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 6.737 -10.809 4.098 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 2.606 -6.654 5.721 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 2.336 -7.121 6.514 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 3.022 -7.347 5.163 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 12.949 -4.145 7.413 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 12.798 -3.937 8.353 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 13.266 -3.316 7.035 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 12.036 0.089 5.776 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 12.573 0.185 6.581 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 12.044 -0.877 5.599 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.000 -11.921 17.431 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 14.150 -11.454 17.336 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 15.009 -12.556 16.690 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 4.012 -16.426 13.900 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 3.391 -16.792 14.570 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 4.244 -15.552 14.246 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 5.491 -13.969 15.875 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 6.026 -14.105 16.683 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 4.570 -14.161 16.165 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 8.378 -12.450 11.608 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 9.014 -11.821 12.002 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 7.822 -12.735 12.367 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 4.967 -13.385 4.346 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 4.958 -13.805 5.211 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.724 -14.111 3.723 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 12.560 -9.410 12.895 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 11.699 -9.878 12.947 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 13.201 -10.043 13.295 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 7.895 -16.330 14.526 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 7.609 -16.627 15.425 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 8.769 -15.930 14.678 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 9.130 -14.999 10.863 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 8.305 -15.524 10.939 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.876 -14.103 11.171 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 3.885 -8.616 4.250 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 4.507 -9.368 4.362 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 3.473 -8.777 3.366 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 9.349 -12.418 15.039 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 9.875 -13.220 15.205 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 8.482 -12.761 14.741 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 7.156 -16.846 10.483 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 7.685 -17.665 10.359 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 6.563 -17.062 11.230 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 7.376 -16.988 17.131 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 7.204 -16.101 17.513 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 6.731 -17.573 17.584 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 10.522 -7.661 8.409 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 10.094 -8.511 8.133 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 11.091 -7.920 9.177 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 18.721 -11.332 17.803 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 19.624 -11.450 17.489 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 18.299 -10.777 17.108 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 10.712 -5.112 9.684 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 10.580 -6.002 9.318 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 9.818 -4.705 9.654 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 9.130 -9.181 20.178 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 9.444 -8.553 20.864 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 9.467 -8.820 19.356 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 18.522 -8.877 22.726 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 18.669 -9.223 21.818 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 17.821 -9.449 23.083 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 14.828 -6.122 5.533 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 13.921 -6.412 5.760 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 14.711 -5.199 5.224 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 13.835 -4.577 12.576 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 13.583 -5.489 12.794 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 13.614 -4.073 13.390 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.261 -8.344 10.358 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 12.326 -8.690 11.275 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 13.125 -7.915 10.202 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 1.020 -18.865 17.581 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 0.453 -18.239 18.083 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 0.395 -19.357 17.027 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 8.714 -6.390 6.762 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 9.405 -6.813 7.318 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 8.035 -6.120 7.396 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 9.659 -4.005 5.686 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 8.948 -3.398 5.962 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 9.381 -4.875 6.035 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 12.247 -6.574 6.461 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 11.611 -6.942 7.100 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 12.428 -5.666 6.799 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.282 -11.533 21.281 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 8.449 -10.687 20.806 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.146 -11.748 21.688 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 7.987 -1.789 5.935 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 8.612 -1.372 5.300 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 7.154 -1.839 5.447 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 7.581 -14.953 8.477 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 7.181 -15.609 9.089 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 8.425 -14.725 8.897 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 5.591 -6.529 3.882 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 4.899 -7.222 3.996 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.317 -6.829 4.447 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 2.092 -17.247 15.634 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 1.408 -17.521 14.994 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 1.916 -17.805 16.418 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 8.372 -8.069 4.565 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 8.540 -7.477 5.329 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 8.622 -7.536 3.789 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 1.568 -15.424 18.923 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 0.725 -15.928 18.941 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 1.728 -15.184 19.856 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 9.339 -9.901 7.530 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 8.977 -10.656 8.054 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 8.794 -9.884 6.735 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 7.132 -14.400 18.100 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 7.939 -13.877 18.139 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 6.648 -14.152 18.927 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 8.558 -10.589 3.496 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 8.495 -9.703 3.919 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 8.322 -10.428 2.564 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.968 -7.469 22.132 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 10.100 -6.647 22.614 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 10.181 -8.172 22.789 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 5.665 -18.454 18.753 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 5.101 -17.770 19.192 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 6.109 -18.899 19.483 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 3.128 -19.856 18.969 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 3.973 -19.495 18.646 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 2.456 -19.485 18.353 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 10.006 -10.611 13.145 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 9.438 -9.856 13.331 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 9.859 -11.219 13.908 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 12.007 -14.335 20.765 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 11.442 -15.126 20.607 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 12.113 -14.306 21.735 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 12.469 -10.711 17.701 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 12.554 -11.018 18.637 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 11.687 -11.171 17.372 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 6.243 -13.281 20.392 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 5.410 -12.971 20.789 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 6.924 -12.681 20.759 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 5.982 -0.464 2.223 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.827 0.374 1.729 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 5.109 -0.911 2.213 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 14.839 -7.516 9.630 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 15.367 -7.344 10.419 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 15.138 -6.830 8.991 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 19.624 -8.855 8.611 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 18.944 -9.528 8.369 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 20.048 -9.220 9.412 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 17.426 -7.315 14.393 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 17.720 -6.502 13.941 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 16.523 -7.121 14.662 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 17.679 -10.723 7.843 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 17.031 -10.826 7.124 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 17.966 -11.638 8.038 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 15.588 -12.149 20.103 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 15.422 -11.977 19.147 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.348 -12.764 20.103 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 17.896 -13.540 19.431 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 17.819 -14.266 18.803 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 18.114 -12.764 18.875 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 3.991 -16.609 19.815 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 3.351 -16.382 19.119 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 3.800 -15.963 20.527 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 13.880 -0.294 7.925 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 13.035 -0.447 8.411 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 14.516 -0.895 8.365 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 -0.704 -17.037 18.689 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 -1.337 -17.360 19.364 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 -1.184 -17.164 17.833 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 1.898 -17.991 12.656 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 2.639 -17.376 12.792 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.212 -18.588 11.938 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 6.158 -17.796 12.915 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 6.814 -17.359 13.500 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.295 -17.419 13.204 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 8.609 -19.136 10.651 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 9.400 -19.302 11.210 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 7.895 -19.650 11.088 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 11.868 -2.527 5.012 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 12.711 -3.022 4.959 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 11.223 -3.185 5.367 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 16.132 -5.805 7.898 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 15.740 -5.995 7.013 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 16.109 -4.834 7.960 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 1.353 -19.562 21.068 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 1.976 -19.737 20.330 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 1.734 -18.806 21.522 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 2.051 -4.106 4.922 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 2.198 -5.021 5.254 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 1.104 -3.974 5.001 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 8.227 -10.322 28.140 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 8.200 -10.431 29.113 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 7.307 -10.401 27.868 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 11.754 -8.975 32.040 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 11.171 -9.725 32.259 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 11.350 -8.586 31.239 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 15.663 -7.952 30.172 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 15.359 -8.872 30.283 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 15.858 -7.879 29.232 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 -0.502 -18.972 27.901 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 -0.808 -19.895 28.061 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 -0.317 -18.945 26.933 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 12.921 -12.171 33.314 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 13.022 -12.384 34.274 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 13.435 -11.339 33.200 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 3.189 -15.062 29.804 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 2.558 -14.510 29.315 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 3.395 -15.791 29.179 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 -1.308 -15.195 30.334 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 -1.752 -14.762 29.595 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 -0.595 -15.726 29.905 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 8.969 -13.710 32.502 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 8.813 -14.246 31.690 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 9.394 -14.338 33.123 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 15.831 -15.777 34.581 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 14.989 -16.251 34.745 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 16.318 -16.364 33.960 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 2.118 -14.503 33.512 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 2.676 -14.175 34.221 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 2.701 -15.109 33.009 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 3.937 -16.116 32.202 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 4.900 -15.961 32.340 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 3.739 -15.651 31.352 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 8.235 -10.313 30.945 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 7.533 -10.453 31.590 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 9.022 -10.736 31.353 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 10.184 -9.579 23.844 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 10.228 -9.968 24.747 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 10.419 -10.329 23.251 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 17.120 -12.508 31.310 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 16.701 -13.311 30.932 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 16.472 -11.802 31.146 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 12.617 -12.194 25.702 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 11.726 -11.842 25.900 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 13.211 -11.659 26.256 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 14.174 -9.766 32.983 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 14.704 -9.103 33.479 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 13.358 -9.274 32.715 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 10.252 -10.790 26.310 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 10.956 -10.471 26.922 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 9.428 -10.714 26.837 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 1.786 -14.682 27.229 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 2.469 -15.045 26.623 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 1.052 -14.423 26.634 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 13.206 -12.973 35.870 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 13.936 -13.485 36.283 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 12.507 -12.986 36.532 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 9.602 -17.906 32.554 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 9.899 -18.104 31.642 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 10.054 -18.576 33.107 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 12.796 -14.970 33.119 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 12.986 -14.042 33.354 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 13.161 -15.488 33.864 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 10.926 -11.665 22.223 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 11.385 -12.390 22.691 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 11.493 -11.491 21.445 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 6.587 -15.665 32.843 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 7.028 -14.814 32.984 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 6.880 -16.218 33.607 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 8.286 -15.588 30.632 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 7.963 -16.013 29.818 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 7.697 -15.931 31.329 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 -3.045 -18.253 28.514 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 -3.490 -19.032 28.109 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 -2.101 -18.363 28.266 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 0.553 -16.559 28.874 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 1.064 -16.035 28.218 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 0.312 -17.380 28.394 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 10.393 -11.409 32.313 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 9.825 -12.210 32.400 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 11.273 -11.710 32.620 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 7.379 -17.038 35.037 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 8.286 -16.788 35.259 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 7.124 -17.667 35.743 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 15.189 -10.648 30.631 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 14.868 -10.322 31.507 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 14.677 -11.484 30.486 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 10.226 -8.734 29.738 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 9.965 -8.759 28.807 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 9.460 -9.112 30.209 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 1.117 -15.370 23.398 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 0.733 -14.867 24.148 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 0.351 -15.826 23.003 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 4.116 -17.747 37.404 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 3.965 -17.682 36.444 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 3.313 -18.203 37.743 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 12.710 -13.513 23.330 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 12.588 -13.122 24.228 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 13.659 -13.457 23.180 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 3.951 -12.246 21.720 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 3.393 -11.518 21.426 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 4.654 -11.806 22.259 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 10.269 -15.679 33.886 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 11.167 -15.475 33.544 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 9.983 -16.466 33.358 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 13.440 -16.873 35.248 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 13.150 -16.547 36.125 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 13.408 -17.852 35.337 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 12.255 -10.085 27.932 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 13.220 -10.175 27.793 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 12.175 -9.634 28.785 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 2.801 -14.732 21.396 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 3.237 -13.862 21.540 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 2.266 -14.870 22.209 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 6.062 -10.915 22.783 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 6.843 -11.228 22.283 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 6.362 -10.070 23.179 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 7.580 -8.702 23.343 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 7.850 -8.147 22.601 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 8.421 -9.044 23.703 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 12.826 -11.846 20.151 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 13.800 -11.899 20.262 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 12.522 -12.777 20.280 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 4.199 -17.834 34.545 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 5.165 -17.809 34.495 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 3.906 -17.331 33.761 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 8.695 -21.285 34.308 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 9.367 -20.579 34.356 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 7.925 -20.856 33.886 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 6.620 -18.749 37.068 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 6.276 -19.646 36.972 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 5.839 -18.226 37.374 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.507 -11.449 25.133 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.559 -11.345 24.157 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 17.301 -11.942 25.359 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 17.173 -10.311 28.773 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 16.599 -10.471 29.549 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 17.424 -11.213 28.470 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 15.100 -14.589 36.991 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 15.767 -13.894 37.218 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 15.450 -14.995 36.173 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 15.710 -10.221 36.204 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 14.950 -10.629 35.780 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 15.882 -9.423 35.671 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 12.762 -16.012 37.734 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 13.611 -15.524 37.775 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 12.928 -16.828 38.266 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 1.911 -17.809 30.918 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 2.625 -17.279 31.304 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 1.560 -17.251 30.193 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 -0.481 -15.249 33.033 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 -0.579 -15.132 32.066 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 0.428 -14.921 33.224 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 13.119 -18.548 38.719 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 13.786 -19.147 39.118 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 12.467 -19.151 38.337 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 -1.803 -21.400 28.300 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 -1.797 -22.333 28.587 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 -2.734 -21.233 28.047 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 -1.323 -17.787 33.672 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 -1.544 -17.742 34.618 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 -0.943 -16.906 33.472 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 2.189 -21.809 39.185 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 1.300 -21.964 38.807 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 2.593 -22.708 39.220 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 16.802 5.902 -2.674 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 16.526 6.623 -2.102 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.160 5.226 -2.056 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 17.821 3.969 -0.985 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 17.309 3.144 -0.859 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 18.378 4.021 -0.191 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 17.541 -1.187 -1.827 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 16.925 -0.437 -1.804 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 18.310 -0.883 -1.285 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 9.654 0.087 -3.751 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 8.926 -0.109 -3.128 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 9.234 0.658 -4.434 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 8.094 1.549 -5.477 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 7.242 1.786 -5.092 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 8.126 2.041 -6.304 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 13.544 -0.499 -0.268 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 12.651 -0.181 -0.537 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 14.156 0.012 -0.834 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 15.215 0.683 -2.147 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 15.451 1.524 -2.599 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 14.977 0.083 -2.884 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 6.231 7.588 -5.040 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 5.724 8.426 -4.983 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 6.754 7.684 -5.840 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 16.723 1.576 -0.055 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 16.317 1.251 0.758 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 16.149 1.225 -0.767 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 5.607 5.850 -2.980 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 4.968 6.465 -2.613 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 5.951 6.311 -3.777 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 4.906 10.008 -4.984 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 4.335 10.456 -5.616 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 4.891 10.575 -4.206 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.972 3.553 -1.459 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 5.765 4.295 -2.071 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.811 3.824 -1.037 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 8.881 1.449 -0.408 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 8.309 0.875 -0.961 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 8.783 1.077 0.503 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 8.629 0.186 1.995 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 9.062 -0.083 2.832 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 7.678 0.011 2.152 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 6.895 3.880 2.202 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 7.007 4.643 2.772 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 7.472 4.066 1.432 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 16.837 0.893 3.760 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 16.722 0.864 4.732 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 15.925 0.943 3.419 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 14.624 -1.672 2.761 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 14.546 -1.550 1.804 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 14.395 -0.795 3.135 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 11.145 0.252 -1.385 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 10.891 0.257 -2.332 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 10.485 0.842 -0.960 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 15.954 -3.393 -2.105 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 16.603 -2.657 -2.117 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 15.882 -3.629 -1.161 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 16.346 2.444 -3.983 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 16.418 3.297 -4.456 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 17.284 2.162 -3.856 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 13.350 -1.566 -5.712 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 13.817 -1.792 -6.541 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 13.913 -0.868 -5.307 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 4.106 1.343 -1.376 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 4.418 1.355 -0.452 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 4.533 2.121 -1.777 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 3.971 -2.265 1.782 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 3.594 -2.901 1.131 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 4.017 -2.779 2.616 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 14.518 -3.446 4.860 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 15.212 -3.177 5.506 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 14.659 -2.845 4.089 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 5.700 1.894 0.799 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 5.992 2.525 1.497 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 5.829 2.392 -0.034 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 8.366 4.108 -0.123 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 9.147 4.598 -0.403 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 8.621 3.161 -0.239 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 14.040 0.759 3.912 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 14.509 1.007 4.737 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 13.107 0.691 4.186 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 15.478 1.185 6.227 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 14.930 0.604 6.803 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 15.688 1.940 6.787 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 18.357 -1.267 2.831 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 17.752 -0.533 3.063 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 19.249 -0.876 2.917 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 16.343 -2.946 6.830 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 15.992 -2.650 7.696 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 17.182 -2.444 6.727 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 9.872 -0.722 4.266 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 10.482 -1.488 4.303 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 10.352 -0.017 4.744 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 26.247 -43.963 12.585 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 26.052 -43.378 11.850 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 25.748 -43.577 13.338 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 27.371 -45.093 16.323 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 27.728 -45.231 15.412 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 28.173 -45.055 16.892 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 24.464 -47.451 15.141 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 23.639 -47.083 15.526 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 24.506 -47.065 14.264 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 24.908 -42.669 14.594 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 25.281 -41.772 14.746 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 24.978 -43.109 15.470 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 22.269 -46.203 16.233 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.263 -45.236 16.219 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 21.913 -46.429 17.109 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 16.072 -42.343 19.594 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 16.367 -41.469 19.952 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.355 -42.616 20.196 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 25.569 -41.422 20.662 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 25.683 -41.460 19.691 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 24.596 -41.376 20.791 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.507 -38.408 15.557 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 20.557 -38.637 15.625 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 21.938 -38.955 16.256 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 20.873 -41.851 18.170 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 21.498 -42.619 18.125 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 20.498 -41.905 19.058 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 22.601 -43.876 17.947 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 23.552 -43.941 17.694 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 22.421 -44.714 18.423 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 30.564 -44.544 20.524 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 31.436 -44.933 20.423 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 30.336 -44.707 21.467 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 22.409 -41.639 14.007 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 23.218 -42.172 14.160 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 22.750 -40.756 13.768 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 21.660 -46.230 19.064 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 20.987 -45.984 19.740 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 21.994 -47.080 19.367 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 26.388 -47.516 17.099 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 25.680 -47.746 16.461 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 26.656 -46.612 16.837 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 28.746 -42.216 17.740 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 28.990 -43.155 17.622 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 28.792 -41.836 16.834 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 25.613 -40.033 14.875 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.896 -39.627 14.344 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 25.672 -39.463 15.673 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 26.161 -41.298 17.964 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 26.202 -40.381 17.623 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 27.102 -41.592 17.974 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 23.300 -38.989 13.617 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 22.969 -38.456 12.863 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 22.711 -38.734 14.364 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 29.398 -45.047 18.087 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 29.282 -46.018 18.205 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 29.743 -44.743 18.954 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 30.062 -40.799 19.681 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 30.503 -41.509 20.162 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 29.572 -41.265 18.966 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 11.289 -38.381 11.559 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 10.458 -38.809 11.271 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 11.727 -39.060 12.108 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 27.060 -40.913 22.828 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 27.714 -40.250 22.551 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 26.580 -41.140 21.993 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 19.956 -45.967 21.288 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 19.019 -45.699 21.365 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 20.230 -46.123 22.205 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 26.324 -43.397 23.831 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 26.072 -43.773 22.977 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 26.735 -42.536 23.599 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 17.369 -45.364 22.294 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 16.640 -45.566 21.678 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 16.967 -45.476 23.178 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 25.188 -43.732 17.128 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 25.954 -44.307 16.885 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 25.601 -42.949 17.548 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 28.742 -47.727 18.446 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 28.778 -48.591 18.861 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 27.869 -47.716 17.988 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 28.173 -45.448 13.762 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 27.510 -44.887 13.299 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 28.411 -46.114 13.115 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 16.861 -37.612 10.933 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 16.679 -38.523 10.685 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 17.792 -37.627 11.239 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 17.543 -41.963 14.974 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 17.565 -41.446 14.162 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 18.491 -42.109 15.191 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 30.554 -35.693 16.329 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 31.282 -35.674 15.699 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 30.991 -35.863 17.199 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 26.207 -38.619 17.131 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 25.782 -37.927 17.653 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 27.132 -38.299 17.015 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 28.346 -40.473 15.642 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 27.502 -40.380 15.168 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 28.583 -39.563 15.891 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 21.777 -35.710 15.914 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.607 -35.679 16.874 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 21.672 -36.657 15.687 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 22.776 -40.023 17.370 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.068 -40.612 17.702 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 23.589 -40.518 17.526 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 25.102 -47.764 37.610 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 24.269 -48.011 38.078 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 25.582 -48.593 37.527 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 19.459 -47.845 25.389 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 18.641 -48.183 24.983 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 19.552 -46.938 25.016 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 20.317 -46.619 31.921 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 20.501 -46.033 31.154 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 20.993 -46.362 32.581 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 25.366 -41.475 31.426 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 26.241 -41.263 31.083 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 24.858 -41.761 30.633 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 22.949 -46.232 36.540 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 23.898 -46.450 36.601 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 22.549 -46.721 37.287 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 19.920 -49.525 29.074 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 19.868 -49.494 30.060 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 20.396 -50.343 28.888 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 24.005 -46.046 32.175 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 24.192 -45.132 32.478 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 23.324 -46.362 32.789 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 24.018 -42.382 29.239 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 24.120 -43.362 29.280 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 24.605 -42.111 28.508 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 21.923 -46.020 34.047 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 22.396 -46.109 34.907 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 21.722 -45.046 33.982 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 27.883 -39.039 27.647 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 27.465 -38.217 27.960 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 27.174 -39.711 27.710 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 24.426 -47.157 27.969 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 23.570 -47.454 28.336 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 24.296 -47.187 27.016 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 19.984 -49.311 31.752 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 20.082 -48.334 31.818 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 20.229 -49.633 32.624 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 21.417 -45.032 29.988 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 21.166 -44.087 29.914 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.394 -45.024 29.904 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 19.401 -44.667 35.767 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 19.217 -45.542 35.382 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 19.920 -44.201 35.068 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 22.631 -47.936 38.747 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 22.427 -47.122 39.266 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 21.885 -48.540 38.945 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 21.318 -42.250 29.908 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 21.384 -42.188 30.894 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 22.248 -42.194 29.605 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.735 -47.448 28.626 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 21.458 -46.669 29.151 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 21.038 -48.115 28.799 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 22.318 -43.520 36.559 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 21.821 -43.435 35.713 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.376 -44.486 36.706 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 28.525 -38.204 22.250 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 29.328 -38.118 22.773 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 27.807 -37.973 22.875 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.872 -37.732 24.480 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 27.326 -37.717 25.335 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 26.360 -36.891 24.465 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 22.412 -45.384 39.531 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.182 -44.567 40.018 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 23.385 -45.327 39.414 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 30.176 -39.025 29.208 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 30.843 -39.539 28.752 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 29.383 -39.103 28.643 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 24.854 -43.446 35.526 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 23.956 -43.456 35.922 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 24.690 -43.536 34.559 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 28.264 -45.066 24.906 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 27.953 -45.340 25.774 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 27.554 -44.481 24.569 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 18.742 -45.920 38.781 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 19.438 -45.973 38.113 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 19.077 -46.477 39.523 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 19.594 -45.464 24.144 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 18.947 -45.020 23.570 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 20.096 -44.731 24.559 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 24.212 -45.044 29.654 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 24.290 -45.470 30.538 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 24.465 -45.755 29.024 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 26.363 -43.466 37.783 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 25.822 -43.475 36.958 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 27.131 -42.932 37.552 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.400 -43.908 25.645 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 22.237 -43.415 25.502 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 21.690 -44.830 25.802 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 22.340 -38.873 40.792 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.702 -38.212 40.446 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 22.760 -39.238 39.994 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.402 -40.225 24.914 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 25.599 -39.273 24.892 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 25.998 -40.603 24.231 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 18.853 -43.211 37.983 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 19.106 -43.655 37.141 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 18.777 -43.942 38.619 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 23.881 -42.657 25.157 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 24.147 -41.725 25.077 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 24.634 -43.150 24.784 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 30.410 -45.119 23.199 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 29.587 -45.083 23.737 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 31.079 -45.422 23.816 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.801 -47.478 40.749 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.059 -48.287 40.263 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.726 -47.776 41.685 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.962 -46.684 26.011 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.923 -46.892 26.967 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 21.265 -47.242 25.621 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 25.121 -45.490 39.105 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 25.617 -44.843 38.555 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 25.268 -46.349 38.654 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 19.490 -47.170 34.584 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 19.157 -47.096 33.673 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 20.426 -46.884 34.518 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 24.998 -40.856 36.450 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 25.021 -41.699 35.961 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 25.025 -40.169 35.748 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 24.651 -38.669 34.844 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.896 -37.832 34.408 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 23.795 -38.473 35.274 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 24.110 -43.428 32.921 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 24.646 -42.768 32.433 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 23.183 -43.085 32.845 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 25.676 -40.736 27.644 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.981 -40.091 27.888 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 25.601 -40.807 26.670 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 16.423 -43.397 44.712 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 17.106 -43.280 44.009 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 16.718 -42.806 45.422 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 22.611 -40.173 47.046 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 23.124 -39.400 46.726 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 22.552 -40.757 46.264 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 19.660 -48.308 43.338 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 19.590 -47.439 43.794 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 19.724 -48.946 44.054 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 23.510 -37.848 45.995 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.872 -36.939 46.023 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 23.408 -38.036 45.041 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 21.771 -43.098 40.844 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 21.633 -42.535 40.047 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 22.418 -42.593 41.381 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.830 -41.703 42.098 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.505 -42.229 41.626 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.175 -40.780 42.058 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 16.094 -45.960 43.693 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 16.965 -46.366 43.769 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 16.148 -45.169 44.264 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 22.323 -38.930 43.586 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 22.383 -38.977 42.606 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.399 -39.864 43.873 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 19.836 -44.819 41.759 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 20.564 -44.259 41.406 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 19.923 -45.662 41.269 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 18.413 -42.813 42.991 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 18.498 -42.003 42.433 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 18.885 -43.508 42.482 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 25.721 -43.199 40.570 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 25.902 -42.996 39.630 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 25.449 -44.135 40.558 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.748 -41.674 38.549 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 22.437 -40.991 38.418 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 21.932 -42.340 37.848 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 25.269 -39.346 41.800 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 26.114 -39.841 41.773 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 25.307 -38.765 41.015 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 20.724 -37.768 45.530 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 21.065 -38.171 44.704 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.487 -37.783 46.128 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 22.496 -41.546 44.585 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 21.887 -42.296 44.720 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 23.001 -41.788 43.780 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.306 -41.215 41.672 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 28.002 -41.641 42.177 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 26.790 -41.958 41.297 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 18.905 -19.894 6.426 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 19.857 -20.163 6.444 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 18.462 -20.633 5.993 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 17.335 -26.726 2.750 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 18.111 -26.577 2.205 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 17.556 -26.293 3.610 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 23.726 -29.342 8.263 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 23.927 -30.100 8.849 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 22.908 -29.607 7.800 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 18.860 -32.538 9.536 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 18.695 -33.348 10.066 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 18.041 -32.001 9.656 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.580 -21.784 14.392 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 28.531 -21.720 14.264 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 27.436 -22.725 14.649 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 21.377 -28.207 16.111 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 21.077 -27.826 15.272 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 22.311 -27.900 16.192 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 21.711 -34.816 10.954 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 22.157 -34.422 11.730 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 22.049 -34.298 10.190 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.734 -32.127 13.754 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 23.097 -31.879 14.458 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.578 -33.080 13.621 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 19.550 -30.175 15.550 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 18.685 -29.699 15.646 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 20.210 -29.533 15.893 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 19.110 -32.939 16.007 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 19.084 -31.970 15.868 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 20.019 -33.184 15.784 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 21.211 -29.880 7.123 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 20.890 -30.809 7.153 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 20.769 -29.503 6.354 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 22.942 -34.810 13.574 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 23.398 -35.654 13.492 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 22.450 -34.887 14.424 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 24.965 -30.105 12.294 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 24.921 -30.583 11.445 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 24.622 -30.753 12.947 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 22.344 -25.369 9.197 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.750 -26.085 8.883 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 23.203 -25.821 9.341 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 27.430 -24.288 15.433 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.695 -24.283 16.381 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 27.011 -25.148 15.311 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 24.058 -31.455 10.017 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 24.047 -32.296 9.535 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 23.139 -31.356 10.343 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.227 -25.131 23.576 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 23.893 -24.453 22.923 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 23.507 -25.211 24.215 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.747 -23.604 10.622 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 21.393 -24.251 10.257 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.089 -24.153 11.064 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 28.811 -37.846 16.867 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.139 -37.928 17.786 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 29.319 -37.095 16.499 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 18.971 -34.887 11.093 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 19.939 -34.751 11.013 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 18.882 -35.839 11.279 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 22.326 -33.281 8.734 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 21.887 -33.254 7.869 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 21.943 -32.515 9.219 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 26.037 -30.313 20.296 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 26.968 -30.510 20.042 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.514 -31.017 19.848 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 20.128 -32.404 7.115 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 19.675 -32.415 7.992 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 19.554 -32.932 6.549 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 19.382 -37.590 11.977 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 20.345 -37.431 11.963 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 19.294 -38.469 12.414 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.954 -33.332 17.249 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.869 -33.680 17.338 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 25.807 -33.297 16.299 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 26.110 -26.370 17.512 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 26.480 -25.482 17.661 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 26.546 -26.919 18.181 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 23.518 -29.088 20.219 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 23.386 -28.760 21.114 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 24.438 -29.420 20.218 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 27.886 -24.261 18.115 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.156 -23.423 18.551 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 28.065 -24.951 18.791 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 24.563 -27.059 9.426 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 25.506 -27.055 9.234 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 24.221 -27.851 8.939 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 23.679 -27.737 11.994 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.059 -27.393 11.165 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.237 -28.519 12.207 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 21.113 -20.927 11.490 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.859 -21.820 11.176 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 21.555 -21.097 12.355 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.924 -27.323 16.109 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.606 -26.945 16.709 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.434 -27.723 15.395 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 27.006 -20.758 17.223 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.906 -21.478 16.584 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 27.436 -21.180 17.994 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 21.306 -31.294 10.274 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 21.249 -30.381 10.642 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.375 -31.584 10.209 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 28.534 -34.187 17.450 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 29.048 -33.622 18.038 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 29.210 -34.688 16.945 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 24.368 -32.073 19.066 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 24.888 -32.583 18.395 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 23.669 -31.638 18.546 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.865 -27.649 8.724 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 20.958 -27.990 9.642 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 21.060 -28.427 8.162 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 27.906 -26.427 19.839 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 28.371 -27.202 20.168 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 27.298 -26.180 20.578 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.255 -26.114 21.949 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 25.518 -25.658 22.401 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 26.073 -27.066 22.097 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 22.352 -30.199 17.982 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.715 -29.818 18.812 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 22.003 -29.426 17.500 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 25.755 -28.717 22.463 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 25.981 -29.353 21.745 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 24.938 -29.085 22.859 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 21.858 -31.718 15.735 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 22.150 -31.373 16.603 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 21.057 -31.200 15.533 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 28.108 -33.725 20.548 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 27.550 -33.785 21.358 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 27.837 -34.482 20.017 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 28.602 -31.149 19.840 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 28.369 -32.081 20.061 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 29.503 -31.052 20.157 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 31.511 -36.295 18.770 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 30.854 -36.940 19.116 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 32.229 -36.324 19.408 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 16.235 -29.378 4.767 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 16.772 -29.632 4.011 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 15.699 -28.628 4.437 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 15.062 -35.589 11.014 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 15.803 -36.240 11.055 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 14.620 -35.787 10.155 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 27.843 -17.200 18.351 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 27.790 -17.661 17.490 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 27.946 -17.926 19.009 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 26.282 -19.481 13.725 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 26.705 -20.363 13.846 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 25.385 -19.591 14.109 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.790 -19.375 14.900 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.436 -19.542 15.804 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 23.713 -18.404 14.790 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 15.880 -24.627 13.713 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 16.625 -25.092 14.147 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 15.840 -25.022 12.835 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 19.312 -39.999 13.291 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 19.977 -40.697 13.385 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 19.139 -39.710 14.214 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 22.200 -37.394 11.615 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 22.049 -36.435 11.447 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 22.359 -37.764 10.740 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 22.046 -22.546 8.392 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 21.360 -22.687 9.075 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 22.517 -23.396 8.357 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.404 -20.911 6.254 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 21.594 -21.564 6.962 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.254 -20.772 5.829 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 29.609 -38.111 19.612 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 29.097 -37.992 20.438 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 29.815 -39.078 19.598 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 19.385 -23.448 36.425 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.607 -24.261 36.933 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.583 -23.699 35.912 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.277 -32.268 26.807 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.074 -32.372 25.858 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.747 -31.416 26.855 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 24.619 -27.466 33.555 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.501 -27.226 33.849 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 24.608 -27.217 32.599 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 21.288 -23.660 29.578 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 20.735 -23.513 30.358 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 22.079 -24.101 29.927 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.238 -39.787 32.153 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 24.136 -40.161 32.129 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 22.657 -40.571 32.309 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 23.924 -33.186 21.550 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 23.466 -34.022 21.315 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 24.047 -32.730 20.684 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 23.969 -31.970 24.031 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 23.649 -31.059 23.902 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 23.823 -32.402 23.161 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.628 -26.731 30.930 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 24.460 -25.845 30.540 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 24.565 -27.333 30.182 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 19.823 -25.817 37.842 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 20.543 -26.184 38.401 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 19.200 -26.567 37.746 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 16.505 -25.855 33.057 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 15.884 -26.204 32.407 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 17.310 -26.401 32.933 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 27.775 -21.910 23.932 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 27.464 -21.126 24.440 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 28.717 -21.957 24.126 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 20.014 -20.634 31.364 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 20.251 -21.503 31.764 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.216 -20.833 30.835 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 26.865 -21.234 21.432 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 27.138 -21.581 22.308 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.874 -21.321 21.436 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 20.519 -25.696 32.755 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 19.711 -26.240 32.641 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 21.085 -26.235 33.345 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 25.269 -36.104 33.876 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 26.193 -36.121 33.600 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 24.814 -35.609 33.160 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 26.354 -33.893 22.639 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 26.092 -34.415 23.426 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.501 -33.606 22.250 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 21.350 -28.655 31.600 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 20.864 -27.994 31.082 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 21.604 -28.178 32.419 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.803 -34.784 31.944 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 22.963 -35.040 32.344 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 23.676 -34.964 30.977 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 20.978 -27.562 39.612 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 20.157 -27.955 39.254 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 21.153 -28.078 40.427 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 24.367 -32.048 31.862 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 24.936 -31.898 31.096 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 24.289 -33.024 31.917 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.228 -33.403 34.701 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 21.394 -33.356 35.215 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 22.472 -32.468 34.551 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 23.499 -29.164 23.938 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 23.987 -28.560 24.533 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 22.717 -29.445 24.470 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 26.636 -31.737 24.535 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 25.681 -31.887 24.377 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 27.071 -32.357 23.931 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 18.540 -27.500 32.257 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 18.728 -27.683 31.316 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 18.395 -28.397 32.652 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 25.967 -29.907 26.459 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 26.351 -30.477 25.752 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.877 -29.028 26.035 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 24.095 -24.261 29.780 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.471 -23.488 30.216 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.891 -23.948 28.871 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 23.086 -23.031 27.495 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 22.256 -23.075 28.013 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 22.786 -22.951 26.564 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 20.688 -18.247 29.897 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 20.433 -19.075 30.335 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 21.663 -18.230 29.969 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 15.569 -23.195 37.397 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 15.432 -22.355 36.914 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 16.008 -23.771 36.745 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.981 -22.496 24.692 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.844 -22.087 24.855 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 22.982 -22.683 23.722 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 27.076 -31.161 28.627 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 26.649 -30.700 27.870 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 27.704 -30.521 28.968 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.290 -24.014 25.051 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 25.637 -24.371 24.418 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.862 -23.439 24.507 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.257 -33.790 28.151 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 26.704 -32.954 28.398 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.458 -33.494 27.670 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.183 -36.355 28.386 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.891 -35.409 28.331 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 28.044 -36.309 28.817 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 25.267 -21.826 26.333 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.714 -22.648 26.030 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 24.551 -22.148 26.920 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 16.675 -22.442 39.834 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 16.347 -22.704 38.948 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 17.494 -22.969 39.949 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 22.995 -19.311 22.614 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 23.589 -20.016 22.239 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 22.287 -19.809 23.041 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 18.650 -28.336 38.326 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 18.844 -29.230 37.961 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 17.697 -28.376 38.554 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.593 -27.595 24.974 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 25.634 -26.627 24.942 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.925 -27.878 24.096 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 18.924 -30.807 37.251 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 18.796 -30.904 36.283 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 19.238 -31.672 37.537 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 22.850 -30.830 33.802 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.194 -29.949 34.001 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 23.485 -31.193 33.140 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 19.782 -33.451 35.924 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 19.337 -32.709 35.437 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 19.252 -34.236 35.697 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.536 -35.464 35.949 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.272 -35.678 35.341 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.076 -34.712 35.512 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 21.981 -27.564 34.100 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 21.821 -27.683 35.046 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.962 -27.484 34.027 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.873 -34.289 38.330 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.005 -34.284 38.789 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.660 -33.999 37.421 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 22.299 -37.926 36.057 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 21.677 -37.851 35.302 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 22.574 -37.001 36.230 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.981 -32.140 42.091 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 21.617 -32.582 41.479 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 21.330 -32.335 42.982 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 23.379 -39.528 38.134 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 24.042 -40.023 37.590 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.914 -38.957 37.482 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 25.098 -37.818 39.498 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 24.686 -38.512 38.952 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 24.588 -37.018 39.285 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 17.748 -21.875 30.175 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 17.784 -22.710 29.650 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 17.182 -21.296 29.653 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 21.249 -21.992 34.923 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 20.726 -22.519 35.564 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.045 -22.401 34.060 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 19.653 -18.924 33.612 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 18.707 -18.660 33.550 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 19.781 -19.522 32.854 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 18.359 -20.861 36.839 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 19.191 -20.365 36.697 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 18.647 -21.797 36.877 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 20.259 -23.026 32.544 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 19.321 -22.891 32.812 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 20.395 -24.002 32.633 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.715 -36.498 27.255 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.359 -37.378 27.496 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 25.599 -36.474 27.676 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 23.233 -35.226 29.336 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 23.869 -35.423 28.622 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 22.358 -35.356 28.916 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 25.306 -35.517 24.659 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 24.468 -35.888 24.312 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.171 -35.500 25.629 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 26.797 -19.802 25.394 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 26.254 -20.468 25.878 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 26.132 -19.219 24.966 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 20.222 -31.815 47.674 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 20.225 -32.735 47.321 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 19.271 -31.574 47.709 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.496 -32.611 47.055 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 24.095 -32.844 47.922 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 23.954 -31.875 46.734 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 17.961 -33.536 49.460 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 17.910 -32.621 49.111 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 18.435 -33.446 50.294 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.011 -29.675 48.807 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.956 -29.531 48.936 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 22.943 -30.010 47.889 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 21.232 -31.362 50.173 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 20.792 -31.518 49.314 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.937 -30.721 49.964 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 18.101 -28.384 43.295 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 17.273 -27.900 43.105 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 18.414 -28.001 44.138 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 20.631 -28.354 47.984 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 19.922 -28.547 48.628 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 21.444 -28.663 48.421 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 21.282 -28.907 44.591 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 20.477 -28.619 45.068 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 21.785 -29.415 45.256 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 23.620 -34.499 43.555 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 23.237 -35.086 42.865 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.564 -34.432 43.304 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.366 -30.826 46.368 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 22.291 -31.432 45.596 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 21.580 -31.050 46.919 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 23.159 -35.864 38.666 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 23.483 -35.663 37.761 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 22.223 -35.570 38.651 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.776 -32.892 44.721 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 22.486 -33.469 44.357 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 21.307 -33.464 45.364 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 22.563 -33.373 40.294 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 21.967 -33.628 39.557 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 23.437 -33.644 39.995 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 20.376 -34.347 46.724 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 21.027 -34.876 47.240 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 19.658 -34.976 46.532 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 15.754 -28.233 49.619 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 15.463 -29.170 49.634 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 14.955 -27.731 49.891 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 18.947 -28.132 45.882 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 19.567 -27.978 46.634 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 18.051 -27.996 46.279 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.249 -36.294 41.495 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 23.072 -36.086 40.555 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 23.182 -37.268 41.538 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.168 -26.005 42.089 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.908 -25.906 42.730 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 18.901 -26.933 42.184 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 21.773 -38.498 49.039 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 22.163 -38.932 49.805 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 21.918 -39.138 48.302 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 23.563 -24.797 43.996 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 23.730 -23.981 44.476 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 24.064 -24.701 43.180 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 21.204 -26.187 43.889 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 21.405 -27.112 44.116 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.065 -25.726 43.971 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 21.137 -29.295 41.816 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 21.262 -29.106 42.766 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 21.125 -30.267 41.765 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 18.572 -24.446 39.950 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 18.868 -24.919 40.768 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 19.148 -24.805 39.246 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 18.441 -28.837 49.610 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 17.530 -28.457 49.613 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 18.702 -28.832 50.537 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.636 -36.932 49.895 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 19.971 -36.134 49.473 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 20.268 -37.626 49.622 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 17.665 -31.096 48.188 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 17.951 -30.244 48.586 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 16.687 -31.108 48.331 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 22.119 -35.857 48.177 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 22.180 -36.798 48.449 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 22.846 -35.748 47.521 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 23.916 -35.153 46.199 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.305 -34.329 46.571 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 23.847 -34.967 45.239 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.771 -35.427 42.065 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 24.908 -35.805 41.802 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.413 -36.078 41.769 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 18.749 -11.832 0.007 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 19.518 -11.381 -0.362 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 19.080 -12.234 0.831 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 20.198 -5.098 -4.635 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 21.106 -4.738 -4.650 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 20.309 -6.017 -4.328 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 15.293 -7.912 -7.221 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 15.061 -6.974 -7.403 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 16.127 -8.048 -7.716 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.863 -3.654 -4.112 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 25.984 -4.503 -4.545 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 25.541 -3.065 -4.825 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.532 -7.448 -2.376 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 22.605 -7.332 -1.403 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 23.461 -7.593 -2.667 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 14.566 -9.426 -4.982 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 14.592 -10.329 -5.312 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 14.898 -8.886 -5.730 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 25.526 -3.095 -1.422 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 25.678 -4.008 -1.106 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.655 -3.155 -2.393 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 22.891 -4.720 -2.651 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.829 -5.691 -2.695 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 22.979 -4.442 -3.585 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 14.169 -1.803 -12.313 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 14.243 -2.229 -13.174 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 14.032 -0.873 -12.518 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 25.243 -7.312 -2.731 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 25.526 -6.647 -2.072 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 26.034 -7.836 -2.894 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 25.579 -5.668 -0.495 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 25.926 -6.176 0.268 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 24.619 -5.850 -0.480 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 21.686 -11.526 2.715 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 20.840 -11.989 2.800 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 22.254 -12.151 2.258 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 19.482 -3.872 -6.961 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 19.685 -4.271 -6.086 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.015 -3.069 -6.983 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 18.748 -16.884 -0.605 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 19.382 -17.116 -1.292 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 17.894 -17.244 -0.934 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 15.305 -15.520 -9.274 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 15.427 -14.736 -9.819 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 15.546 -16.252 -9.853 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 31.822 1.410 1.441 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 32.051 0.600 0.927 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 32.652 1.890 1.506 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 22.315 -8.933 3.369 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 23.108 -8.951 3.945 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 22.190 -9.871 3.102 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 23.187 -6.793 0.241 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.511 -6.661 0.943 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 23.919 -7.254 0.702 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 16.470 -10.400 -0.735 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 16.263 -9.805 0.013 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 17.293 -10.848 -0.462 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 17.461 -9.573 3.677 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 18.243 -9.052 3.969 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 17.775 -10.499 3.701 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.825 2.384 -1.354 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 27.311 1.529 -1.416 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 27.072 2.729 -0.473 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 25.663 -7.359 1.667 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 25.568 -6.902 2.527 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 26.347 -8.042 1.837 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 32.895 -2.494 -1.961 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 33.010 -3.370 -2.340 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 33.386 -1.912 -2.551 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 18.185 -16.074 1.906 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 18.524 -16.430 1.045 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 18.946 -16.157 2.515 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 17.353 -5.485 -7.344 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 17.736 -6.246 -7.807 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 18.101 -4.845 -7.269 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 29.404 0.170 1.600 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 30.193 0.764 1.563 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 29.788 -0.726 1.716 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 21.709 -6.433 2.500 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 21.992 -6.030 3.350 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.773 -7.399 2.669 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 27.013 -11.118 4.333 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 27.217 -12.057 4.299 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 26.518 -11.011 5.169 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 18.305 -12.191 4.340 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 18.579 -12.729 3.574 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.034 -12.311 4.990 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 24.772 -12.403 9.522 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 24.828 -12.091 10.451 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.786 -13.382 9.603 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 19.454 -13.556 2.220 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 19.912 -14.198 2.807 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 18.775 -14.095 1.772 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 20.281 -15.675 3.805 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 19.758 -16.217 4.445 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.164 -15.643 4.194 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 16.472 -2.692 -5.175 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 16.041 -2.720 -6.053 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 15.855 -3.160 -4.593 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 18.566 -1.192 -4.377 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 18.360 -1.271 -3.420 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 17.952 -1.834 -4.804 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 20.147 -7.705 -3.772 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 20.329 -8.532 -4.227 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 20.909 -7.599 -3.156 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 16.026 -11.145 5.472 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 16.260 -10.360 4.940 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 16.698 -11.810 5.215 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 14.268 -14.516 -4.214 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 14.333 -14.908 -5.119 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 15.031 -13.931 -4.155 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 16.360 -13.252 -0.694 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 15.905 -12.407 -0.854 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 17.290 -12.995 -0.567 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 15.846 -15.688 0.434 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 15.950 -14.838 -0.053 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 16.640 -15.735 0.999 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.045 0.151 -0.019 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.736 1.059 -0.183 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 25.957 0.144 -0.348 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 32.105 -0.981 0.219 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 32.337 -1.572 -0.528 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 31.723 -1.579 0.888 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 28.064 0.021 -0.922 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 28.589 0.030 -0.098 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 28.402 -0.741 -1.409 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 19.730 -0.372 -0.439 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.069 -1.028 0.199 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.510 0.168 -0.665 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 22.574 -3.634 -5.162 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 21.974 -2.887 -5.375 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.412 -3.398 -5.610 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.628 -1.824 -2.082 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 22.685 -2.647 -2.594 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.489 -1.129 -2.753 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 18.985 -17.187 5.695 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 18.970 -18.138 5.937 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 18.826 -16.726 6.538 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 21.102 -17.410 8.923 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.647 -18.193 8.693 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 20.882 -17.551 9.867 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 30.701 -2.209 2.357 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 30.715 -3.174 2.340 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 30.713 -1.988 3.314 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.320 -6.409 11.937 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 20.437 -7.359 11.788 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 20.578 -5.997 11.079 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 18.664 -14.829 10.894 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 18.497 -15.281 10.045 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 17.908 -15.104 11.464 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.244 -9.536 10.970 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 21.492 -10.318 10.420 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 22.099 -9.222 11.330 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 29.156 -16.222 15.488 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 28.449 -15.614 15.253 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 28.703 -17.082 15.612 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 22.435 -16.072 11.888 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.794 -16.230 12.781 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 21.831 -16.830 11.735 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 22.101 -11.642 9.449 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 23.061 -11.822 9.378 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 21.716 -12.508 9.709 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 24.595 -11.720 12.214 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.196 -12.103 12.884 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 23.744 -11.624 12.690 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 26.044 -10.550 16.608 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 25.636 -10.678 17.473 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 26.974 -10.322 16.816 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.495 -11.328 13.960 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.574 -11.054 13.749 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.387 -12.074 14.560 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 26.842 -10.012 19.954 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 27.437 -9.748 19.220 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 27.103 -9.434 20.697 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.291 -7.544 6.796 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.195 -7.512 7.176 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 20.757 -7.999 7.486 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 22.414 -21.523 13.806 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.928 -20.772 14.167 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 22.943 -22.298 14.020 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 32.077 -13.188 18.312 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 31.683 -13.906 17.774 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 32.827 -13.603 18.743 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 24.402 -9.348 14.463 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 25.006 -9.670 15.154 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.750 -10.070 14.358 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 25.325 -8.207 24.598 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.621 -8.870 24.459 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 25.161 -7.869 25.486 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 26.520 -2.494 7.202 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 26.662 -1.878 7.941 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.345 -1.905 6.436 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 26.991 -9.149 22.677 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 27.237 -9.939 23.195 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 26.387 -8.650 23.279 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 25.714 -10.824 6.842 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 25.225 -11.412 7.448 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 26.392 -10.424 7.401 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 18.436 -9.780 15.476 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 18.079 -8.920 15.176 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 18.974 -10.090 14.721 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.095 -0.525 5.360 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 26.877 -0.443 4.773 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 26.047 0.347 5.812 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 16.239 -3.765 11.380 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 16.958 -4.135 11.927 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 15.423 -4.044 11.839 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 30.233 -1.934 5.074 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 29.972 -2.887 5.023 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 30.457 -1.804 6.022 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 28.528 -4.256 7.810 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 27.835 -3.629 7.510 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 28.040 -4.897 8.367 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 30.841 -11.624 21.751 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 31.510 -12.245 22.060 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 30.786 -10.952 22.471 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 21.300 -8.485 23.097 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 21.327 -7.945 23.921 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 20.349 -8.691 22.981 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 28.191 -12.110 21.308 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 27.865 -11.521 20.599 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 29.167 -11.976 21.301 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 24.620 -15.057 10.442 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 23.792 -15.367 10.854 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 25.314 -15.511 10.940 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 31.303 -15.475 16.964 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 30.488 -15.674 16.441 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 31.996 -15.962 16.509 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 23.980 -16.609 14.280 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 24.384 -15.827 14.682 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 24.579 -16.828 13.527 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 21.234 -14.159 10.215 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 21.754 -14.783 10.763 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 20.306 -14.315 10.495 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 27.637 -18.501 15.915 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 27.236 -18.701 15.044 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 27.462 -19.313 16.448 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 25.575 -12.617 14.787 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 25.829 -11.872 15.366 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 25.225 -13.289 15.402 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.608 -18.162 11.559 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 19.793 -18.085 12.072 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 20.790 -19.128 11.543 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 23.976 -7.075 7.359 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 24.053 -7.053 8.341 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 24.415 -6.247 7.070 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 28.503 -9.772 17.749 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 29.173 -10.343 18.205 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 29.027 -9.234 17.145 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 23.925 -8.945 11.760 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 24.303 -9.836 11.622 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.100 -8.762 12.711 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 25.659 -6.483 4.310 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 25.407 -5.830 4.989 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 25.241 -7.319 4.612 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 26.770 -5.800 9.399 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 25.816 -5.952 9.522 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 27.180 -6.276 10.125 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 18.257 -13.462 7.885 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 18.992 -13.284 7.267 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 18.375 -14.404 8.128 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 21.082 -5.292 9.565 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 21.207 -4.327 9.421 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.335 -5.526 8.974 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 21.227 -2.548 9.195 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.344 -2.296 10.141 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 21.450 -1.735 8.704 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 28.367 -6.646 3.792 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 27.431 -6.507 4.029 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 28.369 -7.507 3.342 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 22.521 -5.746 4.979 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 22.221 -6.472 5.557 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.159 -5.258 5.522 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 19.883 -8.596 4.575 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 20.286 -8.367 5.431 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 20.650 -8.776 3.995 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 24.690 -14.179 19.354 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 24.971 -13.754 20.192 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 24.700 -15.134 19.558 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 24.803 -4.607 6.395 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 24.073 -3.943 6.410 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 25.578 -4.107 6.728 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.521 -12.949 21.648 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 26.467 -12.714 21.620 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 25.060 -12.088 21.618 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 22.760 -2.844 6.182 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 22.953 -2.030 5.675 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 22.295 -2.525 6.973 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 20.322 -12.704 6.204 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 20.802 -13.516 6.492 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 20.756 -11.989 6.692 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 18.902 -6.228 8.092 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 17.932 -6.092 8.113 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 19.018 -7.173 8.330 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 29.545 -4.537 5.145 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 29.260 -5.341 4.657 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 29.331 -4.733 6.075 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 16.890 -11.217 22.435 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 17.655 -11.121 21.834 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 16.146 -11.425 21.837 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 24.433 -8.778 5.247 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 24.198 -8.276 6.056 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 24.874 -9.580 5.587 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.502 -10.408 21.262 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 23.965 -9.630 20.990 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 25.349 -10.295 20.772 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 27.638 -9.123 2.520 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 28.252 -9.611 1.963 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 27.363 -9.777 3.204 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 24.036 -6.719 10.046 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 23.994 -7.477 10.672 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 23.209 -6.232 10.204 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 30.345 -11.217 19.078 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 30.924 -11.897 18.664 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 30.620 -11.215 20.016 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 24.456 -14.446 16.639 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 23.827 -15.161 16.778 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 24.686 -14.153 17.550 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 28.087 -11.469 23.974 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 28.144 -11.809 23.059 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.907 -10.935 24.083 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 29.399 -7.892 22.312 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.259 -6.984 22.032 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 28.494 -8.257 22.408 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 29.848 -15.680 19.320 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 30.474 -15.571 18.580 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 29.105 -16.191 18.931 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 12.813 -3.527 10.205 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 13.211 -3.835 11.050 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 12.031 -4.123 10.080 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 18.256 -4.900 13.016 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 18.867 -5.519 12.565 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 18.840 -4.210 13.370 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 19.898 -10.729 13.266 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 19.256 -11.434 13.008 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 20.139 -10.305 12.421 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 15.258 -13.704 15.222 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 16.219 -13.669 15.269 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 15.063 -14.666 15.089 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 18.139 -12.650 12.464 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 18.520 -13.313 11.851 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 17.235 -12.958 12.606 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 17.490 -18.640 8.573 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 16.561 -18.838 8.348 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 18.009 -19.225 7.985 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 22.718 -8.441 20.743 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.183 -8.368 21.568 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.526 -7.627 20.265 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 21.164 -4.235 13.461 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 20.954 -5.052 12.963 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 21.690 -4.541 14.208 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 25.568 -17.333 12.193 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.352 -17.745 11.347 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 26.011 -18.051 12.701 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 16.521 -15.563 12.439 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 16.096 -16.315 12.002 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 16.268 -15.674 13.384 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 18.665 -16.223 8.415 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 19.589 -16.530 8.558 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 18.122 -17.038 8.548 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 22.337 -19.885 9.247 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 22.429 -20.728 8.770 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 21.956 -20.142 10.109 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 21.364 -14.906 7.480 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 21.450 -14.512 8.371 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 21.455 -15.862 7.638 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 28.433 -21.850 19.319 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 27.829 -21.740 20.092 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 29.152 -21.231 19.494 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 21.423 -8.915 31.556 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.646 -8.941 30.961 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.031 -8.786 32.450 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.070 -10.846 29.408 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 24.560 -11.660 29.160 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 23.273 -10.864 28.844 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 18.533 -6.696 24.419 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 18.502 -7.403 23.740 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 17.613 -6.460 24.558 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 23.386 -18.306 30.603 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.867 -17.642 31.113 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.268 -19.055 31.232 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 30.581 -9.092 28.897 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 30.971 -8.533 29.572 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 29.786 -9.470 29.327 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 27.408 -13.209 26.000 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 27.635 -12.513 25.342 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 27.752 -12.859 26.845 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 21.038 -8.412 27.808 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 21.031 -7.961 26.930 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 21.408 -9.294 27.620 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 23.330 -10.885 32.059 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 23.749 -10.823 31.178 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 22.677 -10.159 32.060 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 31.143 -8.951 26.224 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 31.724 -8.192 26.298 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 30.849 -9.120 27.148 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 19.795 -8.767 33.714 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 18.892 -8.583 33.402 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 19.720 -9.626 34.179 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 17.601 -8.033 32.101 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 18.342 -8.206 31.484 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 16.840 -7.849 31.507 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 22.590 -20.197 32.414 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 21.697 -20.342 32.053 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 22.580 -20.655 33.264 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 30.352 -9.949 23.831 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.154 -9.112 23.352 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 30.670 -9.647 24.718 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 19.930 -11.364 34.694 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 19.846 -11.889 35.516 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 20.799 -11.612 34.343 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 28.267 -12.280 28.570 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 28.268 -11.424 29.053 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 29.132 -12.658 28.761 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 21.794 -13.820 34.707 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 21.131 -13.585 35.389 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 22.205 -14.646 35.053 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 24.403 -14.914 30.396 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 24.861 -14.185 29.935 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 24.181 -14.537 31.278 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 23.738 -13.516 32.746 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 23.712 -12.553 32.551 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 23.103 -13.625 33.482 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 19.831 -13.412 36.539 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 19.641 -13.115 37.454 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 19.180 -14.120 36.379 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 28.388 -10.061 30.227 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 28.183 -10.193 31.159 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 27.592 -9.581 29.872 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 28.338 -14.851 21.432 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 28.982 -15.174 20.757 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 28.331 -13.882 21.308 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 27.835 -18.852 20.532 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 27.545 -18.226 21.220 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 27.462 -19.713 20.821 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 19.222 -8.763 29.875 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 19.810 -8.536 29.122 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 18.490 -9.265 29.462 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 18.150 -13.204 33.704 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 18.622 -12.435 34.082 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 17.699 -12.841 32.909 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 22.294 -4.358 29.560 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 21.619 -4.170 30.216 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 22.412 -5.332 29.609 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 26.073 -8.961 29.510 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 25.759 -8.136 29.081 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 25.278 -9.533 29.538 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 18.307 -15.789 35.742 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 17.557 -15.244 35.427 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 17.895 -16.674 35.927 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 24.847 -6.747 28.385 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 24.771 -5.885 27.964 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 24.037 -6.819 28.932 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 23.236 -3.399 27.217 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 23.613 -2.551 27.462 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 22.845 -3.740 28.055 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 26.907 -17.228 26.499 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 26.295 -17.228 27.268 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 27.099 -18.173 26.348 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 25.605 -13.033 28.726 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 25.609 -13.396 27.832 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 26.538 -12.767 28.878 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 24.655 -18.317 24.581 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 24.140 -18.576 23.787 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 24.050 -18.467 25.315 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 22.178 -4.640 25.041 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 22.611 -4.251 25.836 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 22.097 -3.901 24.434 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 22.470 -7.098 29.717 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 22.332 -7.678 30.497 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 21.917 -7.509 29.016 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 23.464 -10.041 23.780 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 23.953 -10.123 22.936 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 22.693 -9.475 23.558 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 15.920 -8.079 34.300 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 16.584 -8.110 33.574 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 15.922 -7.157 34.583 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 20.355 -17.091 37.162 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 19.627 -16.779 36.590 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 20.451 -18.044 36.931 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 22.569 -16.119 35.859 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 23.319 -16.677 36.083 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 21.850 -16.433 36.448 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 20.646 -19.578 36.034 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 20.290 -19.253 35.173 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 21.106 -20.412 35.796 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 18.989 -12.866 39.075 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 18.877 -13.846 39.133 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 19.256 -12.607 39.962 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 21.029 -7.069 25.412 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 21.504 -6.208 25.320 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 20.094 -6.850 25.186 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 14.831 -10.690 27.139 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 15.286 -10.969 26.311 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 15.559 -10.423 27.725 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 16.798 -12.533 37.335 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 16.544 -11.634 37.033 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 17.528 -12.379 37.962 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 24.953 -17.064 28.561 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 24.466 -17.749 29.054 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 24.855 -16.263 29.112 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 26.578 -16.764 21.933 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 25.914 -16.765 21.215 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 27.265 -16.124 21.624 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 18.828 -15.584 38.963 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 18.061 -16.166 38.996 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 19.501 -16.103 38.477 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 24.520 3.524 -7.890 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 25.292 3.345 -8.437 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 24.039 4.206 -8.371 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 21.166 2.819 -4.542 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 22.062 2.759 -4.945 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 20.662 3.402 -5.162 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 24.777 -2.400 -6.306 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 25.312 -2.456 -7.105 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 24.285 -1.549 -6.407 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 23.571 1.733 3.253 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 23.419 1.141 2.489 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 24.141 2.455 2.888 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 20.472 3.669 -2.013 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 19.497 3.716 -2.014 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 20.704 3.450 -2.943 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 16.935 4.918 -5.198 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 16.240 5.392 -5.669 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 16.946 5.334 -4.301 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 23.675 2.379 -5.569 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 24.443 2.520 -4.965 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 23.946 2.827 -6.406 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 25.920 2.717 -3.993 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 26.735 2.964 -4.438 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 26.180 2.625 -3.053 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 22.347 0.302 -3.883 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 21.887 1.154 -3.775 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 23.256 0.553 -4.113 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 27.541 2.395 1.435 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 28.053 1.572 1.350 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 27.723 2.693 2.354 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 24.169 2.692 -0.793 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 24.193 3.607 -0.447 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 25.049 2.575 -1.207 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 18.843 1.506 -3.862 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 19.682 1.885 -4.188 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 18.886 0.564 -4.126 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 22.022 5.552 -0.752 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 21.389 6.273 -0.704 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 21.534 4.833 -1.210 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 21.609 1.761 -0.458 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 21.169 2.434 -1.025 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 22.570 1.976 -0.542 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 21.632 2.572 4.986 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 22.328 2.419 4.309 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 20.873 2.903 4.475 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 24.638 5.350 -0.069 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 25.087 6.105 -0.464 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 23.681 5.509 -0.264 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 25.116 3.603 2.043 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 24.989 4.339 1.413 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 25.975 3.214 1.787 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 28.134 2.736 4.118 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 28.256 1.788 4.336 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 28.913 3.165 4.482 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 22.300 0.003 1.533 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 21.980 0.676 0.900 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 21.600 -0.041 2.216 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 19.214 2.320 0.984 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 19.998 2.007 0.500 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 18.467 1.848 0.562 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 19.519 4.304 -6.124 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 19.507 4.794 -6.951 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 18.627 4.455 -5.743 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 23.345 -0.155 -6.741 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 23.387 0.765 -6.413 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 22.409 -0.399 -6.651 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 15.393 -0.024 -4.792 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 15.746 0.889 -4.735 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 16.178 -0.575 -4.951 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 21.022 -1.391 -5.556 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 21.496 -0.811 -4.921 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 20.090 -1.374 -5.243 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 28.554 0.041 4.233 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 29.183 -0.629 4.587 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 28.782 0.102 3.282 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 23.481 2.379 7.011 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 22.827 2.587 6.309 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 22.948 2.326 7.824 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 23.402 -0.407 4.940 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 23.410 0.445 4.444 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 24.357 -0.614 5.063 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 19.421 0.914 5.806 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 19.306 1.642 5.157 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 20.131 1.227 6.388 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 21.893 1.701 9.216 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 22.748 1.879 9.688 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 21.217 1.992 9.838 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 26.105 1.953 6.490 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 25.175 2.184 6.743 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 26.317 2.573 5.774 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 27.291 0.145 8.242 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 28.206 0.097 7.938 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 26.894 0.864 7.699 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 26.061 0.284 10.699 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 26.442 -0.430 11.215 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 26.509 0.218 9.829 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 21.828 -0.421 7.481 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 22.459 -0.172 6.782 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 21.877 0.324 8.123 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 19.055 2.606 3.676 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 19.247 2.700 2.716 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 18.199 2.135 3.697 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 18.711 -1.562 6.693 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 19.350 -1.617 7.418 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 18.831 -0.654 6.337 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 15.182 -2.377 9.265 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 14.303 -2.708 9.542 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 15.788 -2.701 9.972 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 21.611 -1.947 11.851 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 21.818 -1.256 12.486 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 21.435 -2.737 12.404 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 30.432 -2.230 7.805 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 31.137 -2.447 8.421 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 29.817 -2.992 7.866 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 20.798 -0.421 3.817 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 21.698 -0.520 4.188 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 20.316 0.091 4.500 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 24.236 2.278 10.388 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 24.801 1.486 10.553 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 24.847 3.018 10.455 1.00 0.00 WAT1 END