REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1810.7, 111.279, 173.995, 105.473, 683.334, -658.237, -2235.48, 7.37867, 1.55451 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.755994E-03,0.509425,1.53508,42.7151,5.682584E-03,0.37138 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 69, 21 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:33 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -7.168 -22.358 9.504 1.00 52.12 ATOM 2 CB MET 1 -8.721 -23.737 10.060 1.00 2.40 ATOM 3 HB1 MET 1 -9.494 -24.303 9.558 1.00 37.29 ATOM 4 HB2 MET 1 -9.184 -23.089 10.793 1.00 64.24 ATOM 5 CG MET 1 -7.814 -24.716 10.801 1.00 35.13 ATOM 6 HG1 MET 1 -7.133 -24.155 11.426 1.00 37.29 ATOM 7 HG2 MET 1 -7.249 -25.283 10.077 1.00 12.32 ATOM 8 SD MET 1 -8.730 -25.870 11.842 1.00 21.14 ATOM 9 CE MET 1 -9.601 -26.835 10.607 1.00 64.12 ATOM 10 HE1 MET 1 -10.200 -27.589 11.095 1.00 34.02 ATOM 11 HE2 MET 1 -8.887 -27.311 9.952 1.00 45.25 ATOM 12 HE3 MET 1 -10.242 -26.183 10.030 1.00 2.24 ATOM 13 C MET 1 -7.432 -23.765 7.909 1.00 24.22 ATOM 14 O MET 1 -8.077 -23.958 6.877 1.00 44.15 ATOM 15 N MET 1 -8.915 -21.841 8.470 1.00 45.00 ATOM 16 HT1 MET 1 -9.307 -21.259 9.238 1.00 37.29 ATOM 17 HT2 MET 1 -9.700 -22.299 7.965 1.00 37.29 ATOM 18 HT3 MET 1 -8.408 -21.220 7.806 1.00 37.29 ATOM 19 CA MET 1 -7.990 -22.869 9.023 1.00 73.34 ATOM 20 N GLY 2 -6.230 -24.303 8.117 1.00 52.44 ATOM 21 HN GLY 2 -5.717 -24.039 8.912 1.00 37.29 ATOM 22 CA GLY 2 -5.659 -25.259 7.174 1.00 74.15 ATOM 23 HA1 GLY 2 -6.276 -25.290 6.285 1.00 37.29 ATOM 24 HA2 GLY 2 -5.666 -26.238 7.631 1.00 53.44 ATOM 25 C GLY 2 -4.229 -24.927 6.763 1.00 4.51 ATOM 26 O GLY 2 -3.648 -23.943 7.227 1.00 2.14 ATOM 27 N HIS 3 -3.652 -25.755 5.894 1.00 12.33 ATOM 28 HN HIS 3 -4.151 -26.544 5.588 1.00 37.29 ATOM 29 CA HIS 3 -2.301 -25.507 5.380 1.00 12.21 ATOM 30 HA HIS 3 -1.675 -25.267 6.230 1.00 42.45 ATOM 31 CB HIS 3 -1.729 -26.762 4.691 1.00 24.43 ATOM 32 HB1 HIS 3 -1.426 -27.469 5.451 1.00 37.29 ATOM 33 HB2 HIS 3 -0.864 -26.483 4.109 1.00 44.12 ATOM 34 CG HIS 3 -2.691 -27.463 3.773 1.00 34.45 ATOM 35 ND1 HIS 3 -3.177 -26.909 2.608 1.00 33.12 ATOM 36 HD1 HIS 3 -2.963 -26.015 2.260 1.00 35.33 ATOM 37 CD2 HIS 3 -3.256 -28.690 3.860 1.00 75.12 ATOM 38 HD2 HIS 3 -3.101 -29.411 4.651 1.00 64.00 ATOM 39 CE1 HIS 3 -3.994 -27.762 2.025 1.00 65.24 ATOM 40 HE1 HIS 3 -4.517 -27.597 1.094 1.00 44.34 ATOM 41 NE2 HIS 3 -4.063 -28.850 2.762 1.00 75.22 ATOM 42 HE2 HIS 3 -4.772 -29.523 2.684 1.00 37.29 ATOM 43 C HIS 3 -2.289 -24.297 4.428 1.00 33.04 ATOM 44 O HIS 3 -2.367 -24.448 3.207 1.00 32.45 ATOM 45 N HIS 4 -2.206 -23.094 5.006 1.00 41.22 ATOM 46 HN HIS 4 -2.108 -23.045 5.980 1.00 37.29 ATOM 47 CA HIS 4 -2.291 -21.846 4.232 1.00 34.51 ATOM 48 HA HIS 4 -3.267 -21.843 3.764 1.00 22.03 ATOM 49 CB HIS 4 -2.211 -20.610 5.155 1.00 23.24 ATOM 50 HB1 HIS 4 -3.149 -20.508 5.683 1.00 37.29 ATOM 51 HB2 HIS 4 -2.058 -19.729 4.548 1.00 42.22 ATOM 52 CG HIS 4 -1.111 -20.648 6.179 1.00 5.43 ATOM 53 ND1 HIS 4 -1.349 -20.812 7.528 1.00 63.31 ATOM 54 HD1 HIS 4 -2.232 -20.919 7.946 1.00 30.20 ATOM 55 CD2 HIS 4 0.234 -20.514 6.058 1.00 22.10 ATOM 56 HD2 HIS 4 0.785 -20.367 5.139 1.00 75.41 ATOM 57 CE1 HIS 4 -0.209 -20.779 8.186 1.00 22.05 ATOM 58 HE1 HIS 4 -0.094 -20.882 9.254 1.00 65.52 ATOM 59 NE2 HIS 4 0.765 -20.600 7.321 1.00 35.23 ATOM 60 HE2 HIS 4 1.706 -20.445 7.556 1.00 37.29 ATOM 61 C HIS 4 -1.242 -21.761 3.106 1.00 74.00 ATOM 62 O HIS 4 -0.125 -21.281 3.298 1.00 41.14 ATOM 63 N HIS 5 -1.614 -22.274 1.940 1.00 22.52 ATOM 64 HN HIS 5 -2.442 -22.802 1.905 1.00 37.29 ATOM 65 CA HIS 5 -0.844 -22.094 0.708 1.00 13.43 ATOM 66 HA HIS 5 0.061 -21.553 0.950 1.00 45.01 ATOM 67 CB HIS 5 -0.471 -23.455 0.092 1.00 21.23 ATOM 68 HB1 HIS 5 -0.179 -23.307 -0.938 1.00 37.29 ATOM 69 HB2 HIS 5 -1.336 -24.103 0.121 1.00 61.14 ATOM 70 CG HIS 5 0.653 -24.166 0.791 1.00 13.21 ATOM 71 ND1 HIS 5 1.843 -24.475 0.168 1.00 34.21 ATOM 72 HD1 HIS 5 2.065 -24.279 -0.770 1.00 1.34 ATOM 73 CD2 HIS 5 0.764 -24.641 2.056 1.00 40.25 ATOM 74 HD2 HIS 5 0.015 -24.577 2.834 1.00 75.52 ATOM 75 CE1 HIS 5 2.633 -25.107 1.009 1.00 31.04 ATOM 76 HE1 HIS 5 3.628 -25.467 0.792 1.00 74.14 ATOM 77 NE2 HIS 5 2.006 -25.220 2.163 1.00 62.53 ATOM 78 HE2 HIS 5 2.325 -25.751 2.923 1.00 37.29 ATOM 79 C HIS 5 -1.665 -21.266 -0.290 1.00 50.35 ATOM 80 O HIS 5 -2.648 -21.752 -0.849 1.00 75.35 ATOM 81 N HIS 6 -1.284 -20.005 -0.486 1.00 72.34 ATOM 82 HN HIS 6 -0.468 -19.679 -0.047 1.00 37.29 ATOM 83 CA HIS 6 -2.040 -19.102 -1.361 1.00 12.13 ATOM 84 HA HIS 6 -3.090 -19.327 -1.221 1.00 72.41 ATOM 85 CB HIS 6 -1.803 -17.642 -0.957 1.00 64.52 ATOM 86 HB1 HIS 6 -2.122 -16.992 -1.760 1.00 37.29 ATOM 87 HB2 HIS 6 -0.750 -17.488 -0.773 1.00 4.42 ATOM 88 CG HIS 6 -2.552 -17.244 0.281 1.00 35.43 ATOM 89 ND1 HIS 6 -3.589 -16.339 0.270 1.00 44.33 ATOM 90 HD1 HIS 6 -3.934 -15.873 -0.523 1.00 55.43 ATOM 91 CD2 HIS 6 -2.418 -17.639 1.569 1.00 4.31 ATOM 92 HD2 HIS 6 -1.694 -18.345 1.952 1.00 72.14 ATOM 93 CE1 HIS 6 -4.061 -16.192 1.491 1.00 51.34 ATOM 94 HE1 HIS 6 -4.875 -15.542 1.779 1.00 33.14 ATOM 95 NE2 HIS 6 -3.371 -16.969 2.299 1.00 15.32 ATOM 96 HE2 HIS 6 -3.633 -17.185 3.222 1.00 37.29 ATOM 97 C HIS 6 -1.704 -19.336 -2.840 1.00 72.33 ATOM 98 O HIS 6 -2.488 -19.954 -3.560 1.00 13.24 ATOM 99 N HIS 7 -0.550 -18.846 -3.296 1.00 24.25 ATOM 100 HN HIS 7 -0.003 -18.283 -2.712 1.00 37.29 ATOM 101 CA HIS 7 -0.094 -19.129 -4.663 1.00 22.14 ATOM 102 HA HIS 7 -0.868 -18.792 -5.341 1.00 33.43 ATOM 103 CB HIS 7 1.208 -18.369 -4.978 1.00 23.01 ATOM 104 HB1 HIS 7 1.017 -17.307 -4.908 1.00 37.29 ATOM 105 HB2 HIS 7 1.518 -18.603 -5.986 1.00 31.41 ATOM 106 CG HIS 7 2.347 -18.698 -4.059 1.00 13.12 ATOM 107 ND1 HIS 7 3.307 -19.643 -4.351 1.00 73.43 ATOM 108 HD1 HIS 7 3.338 -20.198 -5.161 1.00 2.13 ATOM 109 CD2 HIS 7 2.684 -18.191 -2.850 1.00 74.35 ATOM 110 HD2 HIS 7 2.150 -17.426 -2.304 1.00 40.35 ATOM 111 CE1 HIS 7 4.176 -19.706 -3.364 1.00 63.33 ATOM 112 HE1 HIS 7 5.037 -20.357 -3.322 1.00 0.31 ATOM 113 NE2 HIS 7 3.825 -18.834 -2.441 1.00 43.44 ATOM 114 HE2 HIS 7 4.414 -18.522 -1.718 1.00 37.29 ATOM 115 C HIS 7 0.095 -20.645 -4.853 1.00 51.14 ATOM 116 O HIS 7 0.974 -21.253 -4.239 1.00 43.40 ATOM 117 N HIS 8 -0.750 -21.247 -5.684 1.00 55.53 ATOM 118 HN HIS 8 -1.384 -20.699 -6.194 1.00 37.29 ATOM 119 CA HIS 8 -0.772 -22.701 -5.848 1.00 33.21 ATOM 120 HA HIS 8 -0.909 -23.133 -4.867 1.00 73.25 ATOM 121 CB HIS 8 -1.956 -23.116 -6.731 1.00 13.24 ATOM 122 HB1 HIS 8 -1.768 -22.800 -7.747 1.00 37.29 ATOM 123 HB2 HIS 8 -2.852 -22.631 -6.370 1.00 72.21 ATOM 124 CG HIS 8 -2.204 -24.597 -6.741 1.00 25.31 ATOM 125 ND1 HIS 8 -2.892 -25.250 -5.739 1.00 53.42 ATOM 126 HD1 HIS 8 -3.287 -24.827 -4.944 1.00 63.03 ATOM 127 CD2 HIS 8 -1.845 -25.558 -7.627 1.00 44.21 ATOM 128 HD2 HIS 8 -1.290 -25.412 -8.542 1.00 33.44 ATOM 129 CE1 HIS 8 -2.943 -26.540 -6.006 1.00 22.04 ATOM 130 HE1 HIS 8 -3.422 -27.293 -5.397 1.00 41.20 ATOM 131 NE2 HIS 8 -2.318 -26.753 -7.142 1.00 63.15 ATOM 132 HE2 HIS 8 -2.275 -27.616 -7.608 1.00 37.29 ATOM 133 C HIS 8 0.542 -23.240 -6.437 1.00 72.43 ATOM 134 O HIS 8 0.931 -22.891 -7.553 1.00 63.04 ATOM 135 N SER 9 1.216 -24.095 -5.673 1.00 12.35 ATOM 136 HN SER 9 0.879 -24.292 -4.773 1.00 37.29 ATOM 137 CA SER 9 2.454 -24.742 -6.126 1.00 12.23 ATOM 138 HA SER 9 3.102 -23.975 -6.524 1.00 51.53 ATOM 139 CB SER 9 3.161 -25.429 -4.946 1.00 63.44 ATOM 140 HB1 SER 9 3.440 -24.684 -4.214 1.00 37.29 ATOM 141 HB2 SER 9 4.048 -25.934 -5.301 1.00 12.41 ATOM 142 OG SER 9 2.310 -26.385 -4.325 1.00 32.01 ATOM 143 HG SER 9 2.160 -27.121 -4.933 1.00 41.11 ATOM 144 C SER 9 2.170 -25.774 -7.228 1.00 12.13 ATOM 145 O SER 9 1.740 -26.896 -6.949 1.00 21.25 ATOM 146 N HIS 10 2.392 -25.382 -8.480 1.00 74.00 ATOM 147 HN HIS 10 2.698 -24.461 -8.643 1.00 37.29 ATOM 148 CA HIS 10 2.186 -26.277 -9.625 1.00 12.40 ATOM 149 HA HIS 10 2.258 -27.296 -9.264 1.00 54.40 ATOM 150 CB HIS 10 0.786 -26.059 -10.216 1.00 42.20 ATOM 151 HB1 HIS 10 0.698 -25.033 -10.545 1.00 37.29 ATOM 152 HB2 HIS 10 0.049 -26.245 -9.448 1.00 41.54 ATOM 153 CG HIS 10 0.462 -26.946 -11.381 1.00 73.12 ATOM 154 ND1 HIS 10 0.213 -26.462 -12.646 1.00 20.11 ATOM 155 HD1 HIS 10 0.226 -25.515 -12.911 1.00 61.04 ATOM 156 CD2 HIS 10 0.325 -28.292 -11.465 1.00 20.15 ATOM 157 HD2 HIS 10 0.447 -29.001 -10.658 1.00 72.44 ATOM 158 CE1 HIS 10 -0.062 -27.464 -13.454 1.00 14.02 ATOM 159 HE1 HIS 10 -0.294 -27.382 -14.506 1.00 10.52 ATOM 160 NE2 HIS 10 -0.001 -28.586 -12.765 1.00 32.43 ATOM 161 HE2 HIS 10 -0.328 -29.458 -13.086 1.00 37.29 ATOM 162 C HIS 10 3.270 -26.060 -10.691 1.00 44.15 ATOM 163 O HIS 10 3.120 -25.240 -11.598 1.00 11.14 ATOM 164 N MET 11 4.374 -26.789 -10.557 1.00 22.12 ATOM 165 HN MET 11 4.419 -27.450 -9.834 1.00 37.29 ATOM 166 CA MET 11 5.521 -26.651 -11.461 1.00 31.02 ATOM 167 HA MET 11 5.249 -25.964 -12.251 1.00 41.51 ATOM 168 CB MET 11 6.726 -26.083 -10.692 1.00 21.03 ATOM 169 HB1 MET 11 7.547 -25.945 -11.383 1.00 37.29 ATOM 170 HB2 MET 11 7.024 -26.795 -9.936 1.00 73.24 ATOM 171 CG MET 11 6.451 -24.749 -10.006 1.00 32.53 ATOM 172 HG1 MET 11 5.580 -24.857 -9.375 1.00 37.29 ATOM 173 HG2 MET 11 6.252 -24.002 -10.762 1.00 45.20 ATOM 174 SD MET 11 7.835 -24.186 -8.988 1.00 62.12 ATOM 175 CE MET 11 9.105 -23.959 -10.235 1.00 52.12 ATOM 176 HE1 MET 11 8.787 -23.206 -10.942 1.00 64.43 ATOM 177 HE2 MET 11 9.272 -24.891 -10.754 1.00 30.23 ATOM 178 HE3 MET 11 10.021 -23.641 -9.760 1.00 23.42 ATOM 179 C MET 11 5.888 -28.009 -12.084 1.00 34.44 ATOM 180 O MET 11 5.771 -29.046 -11.428 1.00 62.41 ATOM 181 N PRO 12 6.341 -28.025 -13.354 1.00 53.01 ATOM 182 CA PRO 12 6.727 -29.273 -14.035 1.00 52.04 ATOM 183 HA PRO 12 5.907 -29.980 -14.043 1.00 4.43 ATOM 184 CB PRO 12 7.026 -28.823 -15.474 1.00 41.21 ATOM 185 HB1 PRO 12 6.150 -28.971 -16.091 1.00 37.29 ATOM 186 HB2 PRO 12 7.853 -29.395 -15.875 1.00 75.25 ATOM 187 CG PRO 12 7.365 -27.376 -15.353 1.00 34.15 ATOM 188 HG1 PRO 12 7.127 -26.863 -16.274 1.00 37.29 ATOM 189 HG2 PRO 12 8.415 -27.263 -15.121 1.00 54.41 ATOM 190 CD PRO 12 6.520 -26.846 -14.224 1.00 65.43 ATOM 191 HD1 PRO 12 5.567 -26.494 -14.595 1.00 37.29 ATOM 192 HD2 PRO 12 7.038 -26.054 -13.701 1.00 3.53 ATOM 193 C PRO 12 7.957 -29.942 -13.397 1.00 3.55 ATOM 194 O PRO 12 9.103 -29.588 -13.690 1.00 12.20 ATOM 195 N ASP 13 7.705 -30.889 -12.499 1.00 54.11 ATOM 196 HN ASP 13 6.774 -31.076 -12.261 1.00 37.29 ATOM 197 CA ASP 13 8.769 -31.649 -11.840 1.00 64.03 ATOM 198 HA ASP 13 9.509 -30.943 -11.489 1.00 12.24 ATOM 199 CB ASP 13 8.173 -32.390 -10.633 1.00 44.40 ATOM 200 HB1 ASP 13 7.494 -33.155 -10.987 1.00 37.29 ATOM 201 HB2 ASP 13 7.623 -31.686 -10.024 1.00 5.32 ATOM 202 CG ASP 13 9.229 -33.042 -9.766 1.00 30.33 ATOM 203 OD1 ASP 13 10.008 -32.309 -9.126 1.00 52.50 ATOM 204 OD2 ASP 13 9.295 -34.287 -9.746 1.00 23.25 ATOM 205 C ASP 13 9.447 -32.622 -12.835 1.00 22.53 ATOM 206 O ASP 13 9.132 -32.623 -14.027 1.00 11.20 ATOM 207 N HIS 14 10.394 -33.433 -12.363 1.00 72.15 ATOM 208 HN HIS 14 10.636 -33.389 -11.413 1.00 37.29 ATOM 209 CA HIS 14 11.099 -34.377 -13.240 1.00 20.35 ATOM 210 HA HIS 14 10.691 -34.273 -14.237 1.00 13.32 ATOM 211 CB HIS 14 12.594 -34.022 -13.280 1.00 3.42 ATOM 212 HB1 HIS 14 13.089 -34.467 -12.428 1.00 37.29 ATOM 213 HB2 HIS 14 12.702 -32.948 -13.227 1.00 0.02 ATOM 214 CG HIS 14 13.299 -34.488 -14.522 1.00 75.12 ATOM 215 ND1 HIS 14 13.398 -33.717 -15.661 1.00 52.04 ATOM 216 HD1 HIS 14 13.015 -32.822 -15.782 1.00 21.33 ATOM 217 CD2 HIS 14 13.949 -35.644 -14.804 1.00 3.05 ATOM 218 HD2 HIS 14 14.070 -36.489 -14.142 1.00 34.54 ATOM 219 CE1 HIS 14 14.074 -34.372 -16.582 1.00 54.05 ATOM 220 HE1 HIS 14 14.309 -34.007 -17.571 1.00 33.30 ATOM 221 NE2 HIS 14 14.420 -35.542 -16.090 1.00 71.51 ATOM 222 HE2 HIS 14 14.754 -36.292 -16.629 1.00 37.29 ATOM 223 C HIS 14 10.895 -35.838 -12.784 1.00 24.43 ATOM 224 O HIS 14 11.571 -36.746 -13.266 1.00 23.44 ATOM 225 N GLY 15 9.955 -36.056 -11.863 1.00 33.45 ATOM 226 HN GLY 15 9.461 -35.292 -11.496 1.00 37.29 ATOM 227 CA GLY 15 9.662 -37.406 -11.374 1.00 2.15 ATOM 228 HA1 GLY 15 9.077 -37.320 -10.468 1.00 37.29 ATOM 229 HA2 GLY 15 10.591 -37.900 -11.136 1.00 62.11 ATOM 230 C GLY 15 8.888 -38.271 -12.374 1.00 15.13 ATOM 231 O GLY 15 8.820 -37.957 -13.565 1.00 30.55 ATOM 232 N ASP 16 8.286 -39.357 -11.886 1.00 12.32 ATOM 233 HN ASP 16 8.345 -39.543 -10.925 1.00 37.29 ATOM 234 CA ASP 16 7.555 -40.302 -12.749 1.00 13.12 ATOM 235 HA ASP 16 8.188 -40.539 -13.592 1.00 14.02 ATOM 236 CB ASP 16 7.263 -41.594 -11.976 1.00 12.42 ATOM 237 HB1 ASP 16 6.809 -42.311 -12.646 1.00 37.29 ATOM 238 HB2 ASP 16 6.572 -41.376 -11.175 1.00 42.21 ATOM 239 CG ASP 16 8.510 -42.220 -11.377 1.00 20.41 ATOM 240 OD1 ASP 16 8.812 -41.935 -10.202 1.00 62.12 ATOM 241 OD2 ASP 16 9.183 -43.012 -12.072 1.00 70.54 ATOM 242 C ASP 16 6.225 -39.723 -13.277 1.00 44.04 ATOM 243 O ASP 16 5.505 -40.398 -14.013 1.00 33.35 ATOM 244 N TRP 17 5.911 -38.475 -12.915 1.00 64.30 ATOM 245 HN TRP 17 6.549 -37.965 -12.379 1.00 37.29 ATOM 246 CA TRP 17 4.629 -37.848 -13.290 1.00 55.20 ATOM 247 HA TRP 17 3.840 -38.414 -12.816 1.00 44.54 ATOM 248 CB TRP 17 4.571 -36.400 -12.775 1.00 0.04 ATOM 249 HB1 TRP 17 4.932 -36.372 -11.756 1.00 37.29 ATOM 250 HB2 TRP 17 3.546 -36.058 -12.794 1.00 0.33 ATOM 251 CG TRP 17 5.394 -35.441 -13.585 1.00 34.34 ATOM 252 CD1 TRP 17 6.750 -35.299 -13.564 1.00 35.24 ATOM 253 HD1 TRP 17 7.413 -35.879 -12.938 1.00 43.33 ATOM 254 CD2 TRP 17 4.904 -34.491 -14.543 1.00 63.00 ATOM 255 NE1 TRP 17 7.133 -34.327 -14.453 1.00 4.24 ATOM 256 HE1 TRP 17 8.054 -34.042 -14.621 1.00 14.31 ATOM 257 CE2 TRP 17 6.020 -33.812 -15.061 1.00 4.34 ATOM 258 CE3 TRP 17 3.630 -34.151 -15.010 1.00 42.11 ATOM 259 HE3 TRP 17 2.746 -34.651 -14.636 1.00 42.23 ATOM 260 CZ2 TRP 17 5.903 -32.815 -16.025 1.00 2.22 ATOM 261 HZ2 TRP 17 6.766 -32.298 -16.419 1.00 5.50 ATOM 262 CZ3 TRP 17 3.514 -33.158 -15.965 1.00 53.20 ATOM 263 HZ3 TRP 17 2.539 -32.881 -16.338 1.00 3.24 ATOM 264 CH2 TRP 17 4.645 -32.500 -16.464 1.00 35.32 ATOM 265 HH2 TRP 17 4.509 -31.730 -17.209 1.00 64.31 ATOM 266 C TRP 17 4.396 -37.865 -14.815 1.00 62.23 ATOM 267 O TRP 17 3.253 -37.822 -15.274 1.00 41.30 ATOM 268 N THR 18 5.488 -37.916 -15.589 1.00 12.11 ATOM 269 HN THR 18 6.369 -37.928 -15.161 1.00 37.29 ATOM 270 CA THR 18 5.414 -37.958 -17.061 1.00 73.33 ATOM 271 HA THR 18 5.017 -37.011 -17.402 1.00 35.54 ATOM 272 CB THR 18 6.813 -38.157 -17.698 1.00 33.34 ATOM 273 HB THR 18 6.704 -38.163 -18.775 1.00 24.13 ATOM 274 OG1 THR 18 7.374 -39.414 -17.281 1.00 14.40 ATOM 275 HG1 THR 18 8.278 -39.486 -17.610 1.00 1.45 ATOM 276 CG2 THR 18 7.762 -37.026 -17.313 1.00 2.33 ATOM 277 HG21 THR 18 7.895 -37.016 -16.241 1.00 70.32 ATOM 278 HG22 THR 18 7.348 -36.082 -17.634 1.00 71.54 ATOM 279 HG23 THR 18 8.718 -37.180 -17.793 1.00 53.11 ATOM 280 C THR 18 4.495 -39.088 -17.543 1.00 51.50 ATOM 281 O THR 18 3.581 -38.867 -18.341 1.00 25.33 ATOM 282 N TYR 19 4.751 -40.297 -17.054 1.00 10.23 ATOM 283 HN TYR 19 5.536 -40.414 -16.476 1.00 37.29 ATOM 284 CA TYR 19 3.901 -41.458 -17.337 1.00 62.12 ATOM 285 HA TYR 19 3.027 -41.110 -17.872 1.00 40.12 ATOM 286 CB TYR 19 4.641 -42.485 -18.209 1.00 53.31 ATOM 287 HB1 TYR 19 4.013 -43.358 -18.336 1.00 37.29 ATOM 288 HB2 TYR 19 5.554 -42.778 -17.712 1.00 5.35 ATOM 289 CG TYR 19 5.005 -41.971 -19.591 1.00 53.22 ATOM 290 CD1 TYR 19 6.333 -41.817 -19.979 1.00 72.35 ATOM 291 HD1 TYR 19 7.118 -42.066 -19.279 1.00 1.01 ATOM 292 CD2 TYR 19 4.013 -41.645 -20.511 1.00 63.42 ATOM 293 HD2 TYR 19 2.975 -41.753 -20.227 1.00 3.15 ATOM 294 CE1 TYR 19 6.659 -41.358 -21.241 1.00 15.42 ATOM 295 HE1 TYR 19 7.695 -41.244 -21.523 1.00 30.42 ATOM 296 CE2 TYR 19 4.335 -41.182 -21.772 1.00 52.22 ATOM 297 HE2 TYR 19 3.550 -40.935 -22.471 1.00 14.21 ATOM 298 CZ TYR 19 5.657 -41.043 -22.133 1.00 3.35 ATOM 299 OH TYR 19 5.980 -40.594 -23.394 1.00 21.45 ATOM 300 HH TYR 19 6.628 -41.200 -23.785 1.00 21.12 ATOM 301 C TYR 19 3.437 -42.113 -16.030 1.00 51.45 ATOM 302 O TYR 19 4.093 -43.013 -15.501 1.00 33.23 ATOM 303 N GLU 20 2.309 -41.641 -15.505 1.00 11.33 ATOM 304 HN GLU 20 1.819 -40.943 -15.984 1.00 37.29 ATOM 305 CA GLU 20 1.785 -42.129 -14.226 1.00 11.41 ATOM 306 HA GLU 20 2.612 -42.160 -13.529 1.00 61.20 ATOM 307 CB GLU 20 0.726 -41.154 -13.677 1.00 23.30 ATOM 308 HB1 GLU 20 -0.040 -41.020 -14.428 1.00 37.29 ATOM 309 HB2 GLU 20 1.198 -40.200 -13.492 1.00 53.01 ATOM 310 CG GLU 20 0.047 -41.604 -12.380 1.00 1.23 ATOM 311 HG1 GLU 20 -0.426 -42.561 -12.555 1.00 37.29 ATOM 312 HG2 GLU 20 -0.712 -40.879 -12.121 1.00 70.22 ATOM 313 CD GLU 20 1.002 -41.741 -11.199 1.00 2.54 ATOM 314 OE1 GLU 20 1.428 -40.700 -10.653 1.00 65.00 ATOM 315 OE2 GLU 20 1.299 -42.888 -10.793 1.00 65.34 ATOM 316 C GLU 20 1.206 -43.550 -14.346 1.00 23.11 ATOM 317 O GLU 20 -0.007 -43.744 -14.450 1.00 34.21 ATOM 318 N GLU 21 2.095 -44.535 -14.391 1.00 72.33 ATOM 319 HN GLU 21 3.038 -44.316 -14.554 1.00 37.29 ATOM 320 CA GLU 21 1.706 -45.938 -14.215 1.00 73.50 ATOM 321 HA GLU 21 0.736 -46.091 -14.670 1.00 33.20 ATOM 322 CB GLU 21 2.743 -46.879 -14.859 1.00 40.01 ATOM 323 HB1 GLU 21 2.389 -47.897 -14.768 1.00 37.29 ATOM 324 HB2 GLU 21 3.675 -46.789 -14.320 1.00 31.03 ATOM 325 CG GLU 21 3.027 -46.609 -16.336 1.00 53.10 ATOM 326 HG1 GLU 21 3.796 -47.293 -16.671 1.00 37.29 ATOM 327 HG2 GLU 21 3.385 -45.595 -16.440 1.00 75.21 ATOM 328 CD GLU 21 1.805 -46.786 -17.222 1.00 71.01 ATOM 329 OE1 GLU 21 1.084 -47.793 -17.061 1.00 2.14 ATOM 330 OE2 GLU 21 1.574 -45.933 -18.100 1.00 21.33 ATOM 331 C GLU 21 1.622 -46.224 -12.713 1.00 75.33 ATOM 332 O GLU 21 0.595 -46.654 -12.182 1.00 72.53 ATOM 333 N GLN 22 2.744 -45.965 -12.056 1.00 4.24 ATOM 334 HN GLN 22 3.541 -45.740 -12.580 1.00 37.29 ATOM 335 CA GLN 22 2.864 -45.996 -10.603 1.00 25.22 ATOM 336 HA GLN 22 2.057 -45.406 -10.188 1.00 24.32 ATOM 337 CB GLN 22 2.773 -47.435 -10.067 1.00 62.44 ATOM 338 HB1 GLN 22 3.568 -48.022 -10.506 1.00 37.29 ATOM 339 HB2 GLN 22 1.823 -47.857 -10.364 1.00 13.45 ATOM 340 CG GLN 22 2.886 -47.535 -8.548 1.00 63.53 ATOM 341 HG1 GLN 22 3.855 -47.162 -8.249 1.00 37.29 ATOM 342 HG2 GLN 22 2.799 -48.573 -8.261 1.00 51.32 ATOM 343 CD GLN 22 1.811 -46.740 -7.817 1.00 52.12 ATOM 344 OE1 GLN 22 0.697 -46.567 -8.306 1.00 20.22 ATOM 345 NE2 GLN 22 2.140 -46.244 -6.641 1.00 74.11 ATOM 346 HE21 GLN 22 3.044 -46.409 -6.305 1.00 1.03 ATOM 347 HE22 GLN 22 1.465 -45.731 -6.155 1.00 55.22 ATOM 348 C GLN 22 4.200 -45.357 -10.207 1.00 64.41 ATOM 349 O GLN 22 5.259 -45.914 -10.500 1.00 71.40 ATOM 350 N PHE 23 4.142 -44.179 -9.579 1.00 63.22 ATOM 351 HN PHE 23 3.260 -43.806 -9.362 1.00 37.29 ATOM 352 CA PHE 23 5.346 -43.402 -9.228 1.00 21.34 ATOM 353 HA PHE 23 5.708 -42.942 -10.138 1.00 73.00 ATOM 354 CB PHE 23 4.976 -42.293 -8.233 1.00 4.40 ATOM 355 HB1 PHE 23 4.843 -42.729 -7.253 1.00 37.29 ATOM 356 HB2 PHE 23 4.046 -41.838 -8.543 1.00 53.21 ATOM 357 CG PHE 23 6.011 -41.199 -8.119 1.00 74.23 ATOM 358 CD1 PHE 23 5.913 -40.052 -8.897 1.00 44.32 ATOM 359 HD1 PHE 23 5.086 -39.945 -9.585 1.00 65.22 ATOM 360 CD2 PHE 23 7.079 -41.315 -7.241 1.00 62.14 ATOM 361 HD2 PHE 23 7.169 -42.201 -6.630 1.00 33.40 ATOM 362 CE1 PHE 23 6.857 -39.048 -8.801 1.00 32.31 ATOM 363 HE1 PHE 23 6.768 -38.160 -9.414 1.00 40.22 ATOM 364 CE2 PHE 23 8.023 -40.313 -7.143 1.00 11.43 ATOM 365 HE2 PHE 23 8.849 -40.416 -6.455 1.00 34.12 ATOM 366 CZ PHE 23 7.913 -39.178 -7.923 1.00 11.53 ATOM 367 HZ PHE 23 8.654 -38.394 -7.846 1.00 42.12 ATOM 368 C PHE 23 6.468 -44.304 -8.661 1.00 73.01 ATOM 369 O PHE 23 6.490 -44.643 -7.476 1.00 25.33 ATOM 370 N LYS 24 7.383 -44.691 -9.546 1.00 44.35 ATOM 371 HN LYS 24 7.382 -44.269 -10.430 1.00 37.29 ATOM 372 CA LYS 24 8.390 -45.721 -9.265 1.00 44.20 ATOM 373 HA LYS 24 7.883 -46.564 -8.823 1.00 22.14 ATOM 374 CB LYS 24 9.022 -46.170 -10.592 1.00 50.21 ATOM 375 HB1 LYS 24 9.569 -45.333 -11.009 1.00 37.29 ATOM 376 HB2 LYS 24 8.230 -46.435 -11.277 1.00 74.34 ATOM 377 CG LYS 24 9.979 -47.360 -10.486 1.00 2.54 ATOM 378 HG1 LYS 24 10.480 -47.318 -9.529 1.00 37.29 ATOM 379 HG2 LYS 24 10.714 -47.285 -11.275 1.00 42.24 ATOM 380 CD LYS 24 9.264 -48.707 -10.613 1.00 72.14 ATOM 381 HD1 LYS 24 10.008 -49.486 -10.712 1.00 37.29 ATOM 382 HD2 LYS 24 8.648 -48.690 -11.500 1.00 51.02 ATOM 383 CE LYS 24 8.377 -49.023 -9.414 1.00 24.53 ATOM 384 HE1 LYS 24 7.657 -48.226 -9.291 1.00 37.29 ATOM 385 HE2 LYS 24 8.992 -49.091 -8.529 1.00 34.12 ATOM 386 NZ LYS 24 7.647 -50.304 -9.596 1.00 42.34 ATOM 387 HZ1 LYS 24 7.065 -50.508 -8.761 1.00 11.52 ATOM 388 HZ2 LYS 24 8.320 -51.084 -9.739 1.00 11.01 ATOM 389 HZ3 LYS 24 7.027 -50.243 -10.430 1.00 73.34 ATOM 390 C LYS 24 9.498 -45.254 -8.305 1.00 12.21 ATOM 391 O LYS 24 10.030 -46.054 -7.527 1.00 65.14 ATOM 392 N GLN 25 9.836 -43.967 -8.357 1.00 44.42 ATOM 393 HN GLN 25 9.270 -43.347 -8.872 1.00 37.29 ATOM 394 CA GLN 25 11.038 -43.446 -7.691 1.00 55.52 ATOM 395 HA GLN 25 11.890 -43.847 -8.224 1.00 52.40 ATOM 396 CB GLN 25 11.090 -41.915 -7.799 1.00 51.20 ATOM 397 HB1 GLN 25 10.269 -41.498 -7.232 1.00 37.29 ATOM 398 HB2 GLN 25 10.974 -41.635 -8.837 1.00 41.22 ATOM 399 CG GLN 25 12.390 -41.304 -7.282 1.00 24.34 ATOM 400 HG1 GLN 25 12.516 -41.580 -6.244 1.00 37.29 ATOM 401 HG2 GLN 25 12.320 -40.228 -7.356 1.00 22.02 ATOM 402 CD GLN 25 13.613 -41.764 -8.061 1.00 41.25 ATOM 403 OE1 GLN 25 14.004 -41.145 -9.045 1.00 13.12 ATOM 404 NE2 GLN 25 14.223 -42.852 -7.630 1.00 42.45 ATOM 405 HE21 GLN 25 13.864 -43.305 -6.840 1.00 3.34 ATOM 406 HE22 GLN 25 15.013 -43.159 -8.123 1.00 52.53 ATOM 407 C GLN 25 11.155 -43.877 -6.215 1.00 4.11 ATOM 408 O GLN 25 12.240 -44.251 -5.772 1.00 41.34 ATOM 409 N LEU 26 10.048 -43.840 -5.462 1.00 3.40 ATOM 410 HN LEU 26 9.204 -43.552 -5.868 1.00 37.29 ATOM 411 CA LEU 26 10.075 -44.229 -4.037 1.00 41.15 ATOM 412 HA LEU 26 10.749 -43.549 -3.536 1.00 54.24 ATOM 413 CB LEU 26 8.686 -44.100 -3.389 1.00 11.11 ATOM 414 HB1 LEU 26 8.671 -44.709 -2.494 1.00 37.29 ATOM 415 HB2 LEU 26 7.954 -44.494 -4.079 1.00 20.10 ATOM 416 CG LEU 26 8.260 -42.677 -3.000 1.00 23.51 ATOM 417 HG LEU 26 8.119 -42.091 -3.899 1.00 71.02 ATOM 418 CD1 LEU 26 6.934 -42.707 -2.244 1.00 5.12 ATOM 419 HD11 LEU 26 6.612 -41.696 -2.041 1.00 62.42 ATOM 420 HD12 LEU 26 7.062 -43.237 -1.310 1.00 71.21 ATOM 421 HD13 LEU 26 6.188 -43.209 -2.841 1.00 21.22 ATOM 422 CD2 LEU 26 9.341 -41.999 -2.157 1.00 23.44 ATOM 423 HD21 LEU 26 9.546 -42.598 -1.280 1.00 43.20 ATOM 424 HD22 LEU 26 9.001 -41.021 -1.852 1.00 11.54 ATOM 425 HD23 LEU 26 10.245 -41.899 -2.741 1.00 23.33 ATOM 426 C LEU 26 10.599 -45.659 -3.829 1.00 52.02 ATOM 427 O LEU 26 11.390 -45.910 -2.919 1.00 34.13 ATOM 428 N TYR 27 10.153 -46.590 -4.666 1.00 33.42 ATOM 429 HN TYR 27 9.541 -46.330 -5.388 1.00 37.29 ATOM 430 CA TYR 27 10.569 -47.992 -4.550 1.00 53.13 ATOM 431 HA TYR 27 10.411 -48.302 -3.525 1.00 11.30 ATOM 432 CB TYR 27 9.722 -48.881 -5.473 1.00 40.35 ATOM 433 HB1 TYR 27 10.105 -49.892 -5.434 1.00 37.29 ATOM 434 HB2 TYR 27 9.801 -48.515 -6.487 1.00 54.44 ATOM 435 CG TYR 27 8.251 -48.925 -5.109 1.00 53.22 ATOM 436 CD1 TYR 27 7.730 -49.981 -4.365 1.00 31.51 ATOM 437 HD1 TYR 27 8.391 -50.774 -4.045 1.00 43.23 ATOM 438 CD2 TYR 27 7.382 -47.915 -5.510 1.00 30.53 ATOM 439 HD2 TYR 27 7.768 -47.088 -6.087 1.00 35.15 ATOM 440 CE1 TYR 27 6.392 -50.028 -4.032 1.00 42.41 ATOM 441 HE1 TYR 27 6.009 -50.859 -3.452 1.00 73.24 ATOM 442 CE2 TYR 27 6.042 -47.955 -5.179 1.00 60.23 ATOM 443 HE2 TYR 27 5.382 -47.161 -5.500 1.00 30.12 ATOM 444 CZ TYR 27 5.551 -49.013 -4.441 1.00 25.21 ATOM 445 OH TYR 27 4.215 -49.053 -4.112 1.00 50.11 ATOM 446 HH TYR 27 4.118 -49.336 -3.197 1.00 2.41 ATOM 447 C TYR 27 12.053 -48.161 -4.895 1.00 75.02 ATOM 448 O TYR 27 12.792 -48.868 -4.206 1.00 32.31 ATOM 449 N GLU 28 12.485 -47.487 -5.955 1.00 53.52 ATOM 450 HN GLU 28 11.873 -46.860 -6.401 1.00 37.29 ATOM 451 CA GLU 28 13.843 -47.651 -6.480 1.00 52.11 ATOM 452 HA GLU 28 14.276 -48.524 -6.010 1.00 34.24 ATOM 453 CB GLU 28 13.777 -47.897 -7.996 1.00 60.34 ATOM 454 HB1 GLU 28 14.780 -48.061 -8.367 1.00 37.29 ATOM 455 HB2 GLU 28 13.366 -47.018 -8.476 1.00 64.43 ATOM 456 CG GLU 28 12.919 -49.103 -8.383 1.00 54.42 ATOM 457 HG1 GLU 28 11.910 -48.934 -8.031 1.00 37.29 ATOM 458 HG2 GLU 28 13.321 -49.980 -7.898 1.00 4.24 ATOM 459 CD GLU 28 12.871 -49.360 -9.883 1.00 33.42 ATOM 460 OE1 GLU 28 12.487 -50.480 -10.286 1.00 3.14 ATOM 461 OE2 GLU 28 13.211 -48.448 -10.664 1.00 61.45 ATOM 462 C GLU 28 14.743 -46.438 -6.169 1.00 21.13 ATOM 463 O GLU 28 15.642 -46.111 -6.946 1.00 70.33 ATOM 464 N LEU 29 14.506 -45.781 -5.030 1.00 3.33 ATOM 465 HN LEU 29 13.717 -46.017 -4.501 1.00 37.29 ATOM 466 CA LEU 29 15.387 -44.691 -4.569 1.00 1.31 ATOM 467 HA LEU 29 15.317 -43.882 -5.283 1.00 63.31 ATOM 468 CB LEU 29 14.927 -44.188 -3.189 1.00 74.11 ATOM 469 HB1 LEU 29 15.691 -43.531 -2.794 1.00 37.29 ATOM 470 HB2 LEU 29 14.841 -45.044 -2.530 1.00 20.43 ATOM 471 CG LEU 29 13.588 -43.432 -3.177 1.00 31.24 ATOM 472 HG LEU 29 12.856 -44.005 -3.728 1.00 71.12 ATOM 473 CD1 LEU 29 13.064 -43.258 -1.755 1.00 73.11 ATOM 474 HD11 LEU 29 12.132 -42.709 -1.779 1.00 13.12 ATOM 475 HD12 LEU 29 13.786 -42.713 -1.164 1.00 34.03 ATOM 476 HD13 LEU 29 12.896 -44.228 -1.312 1.00 41.44 ATOM 477 CD2 LEU 29 13.733 -42.076 -3.860 1.00 1.24 ATOM 478 HD21 LEU 29 14.108 -42.214 -4.864 1.00 72.03 ATOM 479 HD22 LEU 29 14.422 -41.458 -3.299 1.00 21.20 ATOM 480 HD23 LEU 29 12.770 -41.590 -3.901 1.00 52.23 ATOM 481 C LEU 29 16.849 -45.162 -4.489 1.00 53.05 ATOM 482 O LEU 29 17.750 -44.543 -5.060 1.00 54.22 ATOM 483 N ASP 30 17.070 -46.252 -3.756 1.00 70.43 ATOM 484 HN ASP 30 16.343 -46.597 -3.204 1.00 37.29 ATOM 485 CA ASP 30 18.369 -46.933 -3.725 1.00 3.12 ATOM 486 HA ASP 30 19.045 -46.395 -4.377 1.00 13.23 ATOM 487 CB ASP 30 18.941 -46.919 -2.304 1.00 3.22 ATOM 488 HB1 ASP 30 19.855 -47.499 -2.285 1.00 37.29 ATOM 489 HB2 ASP 30 18.225 -47.368 -1.629 1.00 24.54 ATOM 490 CG ASP 30 19.248 -45.514 -1.817 1.00 30.13 ATOM 491 OD1 ASP 30 20.426 -45.100 -1.881 1.00 3.50 ATOM 492 OD2 ASP 30 18.317 -44.813 -1.370 1.00 22.34 ATOM 493 C ASP 30 18.245 -48.379 -4.233 1.00 30.30 ATOM 494 O ASP 30 19.152 -48.905 -4.879 1.00 73.41 ATOM 495 N GLY 31 17.105 -49.009 -3.942 1.00 32.03 ATOM 496 HN GLY 31 16.406 -48.522 -3.467 1.00 37.29 ATOM 497 CA GLY 31 16.882 -50.403 -4.326 1.00 15.12 ATOM 498 HA1 GLY 31 17.625 -50.692 -5.055 1.00 37.29 ATOM 499 HA2 GLY 31 15.904 -50.485 -4.777 1.00 4.12 ATOM 500 C GLY 31 16.952 -51.365 -3.141 1.00 13.00 ATOM 501 O GLY 31 17.299 -52.539 -3.298 1.00 11.43 ATOM 502 N ASP 32 16.611 -50.869 -1.954 1.00 31.25 ATOM 503 HN ASP 32 16.322 -49.935 -1.897 1.00 37.29 ATOM 504 CA ASP 32 16.670 -51.664 -0.722 1.00 31.05 ATOM 505 HA ASP 32 17.640 -52.139 -0.675 1.00 51.45 ATOM 506 CB ASP 32 16.502 -50.751 0.496 1.00 33.42 ATOM 507 HB1 ASP 32 16.789 -51.294 1.388 1.00 37.29 ATOM 508 HB2 ASP 32 15.464 -50.460 0.579 1.00 45.04 ATOM 509 CG ASP 32 17.342 -49.498 0.398 1.00 44.30 ATOM 510 OD1 ASP 32 18.330 -49.368 1.148 1.00 12.22 ATOM 511 OD2 ASP 32 17.004 -48.631 -0.433 1.00 20.11 ATOM 512 C ASP 32 15.573 -52.738 -0.690 1.00 33.24 ATOM 513 O ASP 32 14.395 -52.436 -0.908 1.00 12.43 ATOM 514 N PRO 33 15.933 -53.999 -0.380 1.00 4.41 ATOM 515 CA PRO 33 14.951 -55.089 -0.230 1.00 34.44 ATOM 516 HA PRO 33 14.430 -55.279 -1.159 1.00 64.30 ATOM 517 CB PRO 33 15.820 -56.308 0.138 1.00 45.42 ATOM 518 HB1 PRO 33 15.974 -56.922 -0.739 1.00 37.29 ATOM 519 HB2 PRO 33 15.328 -56.893 0.905 1.00 13.10 ATOM 520 CG PRO 33 17.107 -55.733 0.631 1.00 53.41 ATOM 521 HG1 PRO 33 17.917 -56.425 0.450 1.00 37.29 ATOM 522 HG2 PRO 33 17.033 -55.510 1.687 1.00 54.03 ATOM 523 CD PRO 33 17.313 -54.469 -0.156 1.00 15.45 ATOM 524 HD1 PRO 33 17.806 -54.680 -1.096 1.00 37.29 ATOM 525 HD2 PRO 33 17.883 -53.751 0.419 1.00 24.30 ATOM 526 C PRO 33 13.923 -54.793 0.878 1.00 71.23 ATOM 527 O PRO 33 12.815 -55.322 0.872 1.00 5.30 ATOM 528 N LYS 34 14.310 -53.934 1.823 1.00 53.42 ATOM 529 HN LYS 34 15.223 -53.580 1.790 1.00 37.29 ATOM 530 CA LYS 34 13.423 -53.512 2.916 1.00 73.42 ATOM 531 HA LYS 34 12.868 -54.377 3.253 1.00 40.43 ATOM 532 CB LYS 34 14.254 -52.963 4.087 1.00 1.25 ATOM 533 HB1 LYS 34 13.579 -52.642 4.869 1.00 37.29 ATOM 534 HB2 LYS 34 14.808 -52.103 3.739 1.00 42.12 ATOM 535 CG LYS 34 15.255 -53.945 4.701 1.00 1.42 ATOM 536 HG1 LYS 34 15.874 -53.408 5.407 1.00 37.29 ATOM 537 HG2 LYS 34 15.878 -54.344 3.914 1.00 50.01 ATOM 538 CD LYS 34 14.571 -55.105 5.430 1.00 41.30 ATOM 539 HD1 LYS 34 13.611 -54.770 5.801 1.00 37.29 ATOM 540 HD2 LYS 34 15.190 -55.401 6.265 1.00 44.01 ATOM 541 CE LYS 34 14.357 -56.318 4.531 1.00 1.33 ATOM 542 HE1 LYS 34 15.320 -56.720 4.249 1.00 37.29 ATOM 543 HE2 LYS 34 13.824 -56.008 3.644 1.00 1.25 ATOM 544 NZ LYS 34 13.573 -57.379 5.215 1.00 35.11 ATOM 545 HZ1 LYS 34 12.582 -57.080 5.312 1.00 2.32 ATOM 546 HZ2 LYS 34 13.961 -57.559 6.164 1.00 3.25 ATOM 547 HZ3 LYS 34 13.605 -58.260 4.667 1.00 74.25 ATOM 548 C LYS 34 12.431 -52.423 2.462 1.00 2.33 ATOM 549 O LYS 34 11.305 -52.345 2.956 1.00 4.22 ATOM 550 N ARG 35 12.858 -51.590 1.511 1.00 12.13 ATOM 551 HN ARG 35 13.695 -51.795 1.043 1.00 37.29 ATOM 552 CA ARG 35 12.108 -50.382 1.137 1.00 35.34 ATOM 553 HA ARG 35 11.978 -49.798 2.037 1.00 33.20 ATOM 554 CB ARG 35 12.915 -49.544 0.133 1.00 64.32 ATOM 555 HB1 ARG 35 12.937 -50.061 -0.816 1.00 37.29 ATOM 556 HB2 ARG 35 13.927 -49.442 0.498 1.00 24.42 ATOM 557 CG ARG 35 12.344 -48.147 -0.097 1.00 34.04 ATOM 558 HG1 ARG 35 12.231 -47.654 0.859 1.00 37.29 ATOM 559 HG2 ARG 35 11.378 -48.239 -0.570 1.00 22.44 ATOM 560 CD ARG 35 13.248 -47.299 -0.988 1.00 53.30 ATOM 561 HD1 ARG 35 12.830 -46.304 -1.059 1.00 37.29 ATOM 562 HD2 ARG 35 13.280 -47.744 -1.972 1.00 13.44 ATOM 563 NE ARG 35 14.616 -47.209 -0.471 1.00 1.23 ATOM 564 HE ARG 35 15.180 -48.003 -0.552 1.00 61.30 ATOM 565 CZ ARG 35 15.141 -46.148 0.081 1.00 73.25 ATOM 566 NH1 ARG 35 14.455 -45.062 0.225 1.00 4.35 ATOM 567 HH11 ARG 35 13.513 -45.027 -0.085 1.00 33.33 ATOM 568 HH12 ARG 35 14.877 -44.262 0.641 1.00 44.55 ATOM 569 NH2 ARG 35 16.364 -46.184 0.482 1.00 43.32 ATOM 570 HH21 ARG 35 16.897 -47.024 0.369 1.00 25.43 ATOM 571 HH22 ARG 35 16.780 -45.384 0.906 1.00 2.12 ATOM 572 C ARG 35 10.715 -50.700 0.565 1.00 73.31 ATOM 573 O ARG 35 9.708 -50.173 1.042 1.00 44.54 ATOM 574 N LYS 36 10.656 -51.549 -0.461 1.00 35.34 ATOM 575 HN LYS 36 11.482 -51.944 -0.802 1.00 37.29 ATOM 576 CA LYS 36 9.370 -51.881 -1.093 1.00 54.12 ATOM 577 HA LYS 36 8.904 -50.941 -1.356 1.00 64.35 ATOM 578 CB LYS 36 9.554 -52.699 -2.388 1.00 13.02 ATOM 579 HB1 LYS 36 10.255 -52.178 -3.026 1.00 37.29 ATOM 580 HB2 LYS 36 8.601 -52.748 -2.897 1.00 10.51 ATOM 581 CG LYS 36 10.058 -54.132 -2.196 1.00 12.25 ATOM 582 HG1 LYS 36 9.851 -54.694 -3.097 1.00 37.29 ATOM 583 HG2 LYS 36 9.526 -54.579 -1.369 1.00 61.04 ATOM 584 CD LYS 36 11.556 -54.198 -1.905 1.00 41.20 ATOM 585 HD1 LYS 36 11.842 -55.234 -1.786 1.00 37.29 ATOM 586 HD2 LYS 36 11.760 -53.666 -0.988 1.00 32.45 ATOM 587 CE LYS 36 12.389 -53.585 -3.029 1.00 70.03 ATOM 588 HE1 LYS 36 13.432 -53.627 -2.748 1.00 37.29 ATOM 589 HE2 LYS 36 12.096 -52.554 -3.158 1.00 60.24 ATOM 590 NZ LYS 36 12.211 -54.299 -4.321 1.00 44.45 ATOM 591 HZ1 LYS 36 12.804 -53.863 -5.055 1.00 44.14 ATOM 592 HZ2 LYS 36 11.219 -54.251 -4.624 1.00 50.12 ATOM 593 HZ3 LYS 36 12.482 -55.297 -4.220 1.00 21.04 ATOM 594 C LYS 36 8.424 -52.615 -0.123 1.00 61.24 ATOM 595 O LYS 36 7.205 -52.497 -0.241 1.00 72.43 ATOM 596 N GLU 37 8.983 -53.360 0.837 1.00 62.15 ATOM 597 HN GLU 37 9.954 -53.472 0.852 1.00 37.29 ATOM 598 CA GLU 37 8.168 -54.013 1.874 1.00 34.11 ATOM 599 HA GLU 37 7.448 -54.652 1.382 1.00 61.31 ATOM 600 CB GLU 37 9.042 -54.863 2.811 1.00 21.00 ATOM 601 HB1 GLU 37 8.404 -55.321 3.556 1.00 37.29 ATOM 602 HB2 GLU 37 9.744 -54.212 3.312 1.00 63.42 ATOM 603 CG GLU 37 9.835 -55.969 2.120 1.00 15.25 ATOM 604 HG1 GLU 37 10.539 -55.517 1.435 1.00 37.29 ATOM 605 HG2 GLU 37 9.149 -56.595 1.566 1.00 2.50 ATOM 606 CD GLU 37 10.607 -56.835 3.109 1.00 14.43 ATOM 607 OE1 GLU 37 10.474 -58.077 3.059 1.00 53.13 ATOM 608 OE2 GLU 37 11.336 -56.273 3.957 1.00 0.33 ATOM 609 C GLU 37 7.420 -52.962 2.704 1.00 30.24 ATOM 610 O GLU 37 6.199 -53.023 2.862 1.00 41.13 ATOM 611 N PHE 38 8.175 -51.994 3.227 1.00 50.34 ATOM 612 HN PHE 38 9.146 -52.027 3.088 1.00 37.29 ATOM 613 CA PHE 38 7.610 -50.891 4.009 1.00 22.14 ATOM 614 HA PHE 38 7.152 -51.315 4.892 1.00 55.33 ATOM 615 CB PHE 38 8.729 -49.932 4.442 1.00 22.31 ATOM 616 HB1 PHE 38 9.269 -49.604 3.564 1.00 37.29 ATOM 617 HB2 PHE 38 9.411 -50.460 5.094 1.00 30.15 ATOM 618 CG PHE 38 8.240 -48.704 5.177 1.00 3.24 ATOM 619 CD1 PHE 38 8.037 -47.506 4.502 1.00 53.52 ATOM 620 HD1 PHE 38 8.236 -47.456 3.440 1.00 74.22 ATOM 621 CD2 PHE 38 7.979 -48.748 6.540 1.00 33.33 ATOM 622 HD2 PHE 38 8.132 -49.672 7.081 1.00 24.44 ATOM 623 CE1 PHE 38 7.586 -46.384 5.169 1.00 64.24 ATOM 624 HE1 PHE 38 7.432 -45.459 4.631 1.00 43.23 ATOM 625 CE2 PHE 38 7.528 -47.626 7.210 1.00 12.41 ATOM 626 HE2 PHE 38 7.330 -47.673 8.270 1.00 61.22 ATOM 627 CZ PHE 38 7.332 -46.444 6.524 1.00 31.22 ATOM 628 HZ PHE 38 6.979 -45.568 7.047 1.00 55.31 ATOM 629 C PHE 38 6.539 -50.126 3.213 1.00 43.40 ATOM 630 O PHE 38 5.447 -49.871 3.714 1.00 20.23 ATOM 631 N LEU 39 6.864 -49.761 1.973 1.00 33.40 ATOM 632 HN LEU 39 7.752 -49.997 1.624 1.00 37.29 ATOM 633 CA LEU 39 5.933 -49.013 1.115 1.00 51.22 ATOM 634 HA LEU 39 5.684 -48.095 1.630 1.00 33.43 ATOM 635 CB LEU 39 6.607 -48.661 -0.220 1.00 14.13 ATOM 636 HB1 LEU 39 5.880 -48.166 -0.848 1.00 37.29 ATOM 637 HB2 LEU 39 6.903 -49.584 -0.702 1.00 54.42 ATOM 638 CG LEU 39 7.847 -47.755 -0.114 1.00 23.21 ATOM 639 HG LEU 39 8.599 -48.258 0.477 1.00 43.13 ATOM 640 CD1 LEU 39 8.442 -47.489 -1.494 1.00 54.23 ATOM 641 HD11 LEU 39 9.312 -46.855 -1.396 1.00 2.42 ATOM 642 HD12 LEU 39 7.708 -46.998 -2.116 1.00 32.15 ATOM 643 HD13 LEU 39 8.730 -48.426 -1.950 1.00 62.20 ATOM 644 CD2 LEU 39 7.500 -46.441 0.587 1.00 5.44 ATOM 645 HD21 LEU 39 6.723 -45.930 0.036 1.00 41.53 ATOM 646 HD22 LEU 39 8.379 -45.815 0.632 1.00 71.21 ATOM 647 HD23 LEU 39 7.154 -46.646 1.590 1.00 52.21 ATOM 648 C LEU 39 4.633 -49.797 0.864 1.00 25.44 ATOM 649 O LEU 39 3.534 -49.271 1.054 1.00 61.41 ATOM 650 N ASP 40 4.768 -51.054 0.442 1.00 24.33 ATOM 651 HN ASP 40 5.670 -51.415 0.306 1.00 37.29 ATOM 652 CA ASP 40 3.612 -51.919 0.179 1.00 63.31 ATOM 653 HA ASP 40 3.052 -51.491 -0.640 1.00 71.03 ATOM 654 CB ASP 40 4.104 -53.317 -0.225 1.00 10.32 ATOM 655 HB1 ASP 40 4.635 -53.759 0.608 1.00 37.29 ATOM 656 HB2 ASP 40 4.783 -53.220 -1.060 1.00 71.23 ATOM 657 CG ASP 40 2.977 -54.256 -0.628 1.00 44.13 ATOM 658 OD1 ASP 40 2.332 -54.845 0.269 1.00 54.03 ATOM 659 OD2 ASP 40 2.748 -54.428 -1.845 1.00 65.14 ATOM 660 C ASP 40 2.701 -52.016 1.416 1.00 42.23 ATOM 661 O ASP 40 1.488 -51.786 1.339 1.00 3.22 ATOM 662 N ASP 41 3.306 -52.344 2.552 1.00 23.03 ATOM 663 HN ASP 41 4.275 -52.497 2.545 1.00 37.29 ATOM 664 CA ASP 41 2.578 -52.489 3.811 1.00 21.41 ATOM 665 HA ASP 41 1.797 -53.219 3.656 1.00 63.01 ATOM 666 CB ASP 41 3.532 -53.007 4.892 1.00 33.13 ATOM 667 HB1 ASP 41 4.284 -52.255 5.092 1.00 37.29 ATOM 668 HB2 ASP 41 4.021 -53.903 4.531 1.00 51.20 ATOM 669 CG ASP 41 2.820 -53.341 6.188 1.00 62.15 ATOM 670 OD1 ASP 41 2.882 -52.533 7.132 1.00 63.32 ATOM 671 OD2 ASP 41 2.196 -54.421 6.269 1.00 32.11 ATOM 672 C ASP 41 1.933 -51.159 4.246 1.00 14.23 ATOM 673 O ASP 41 0.776 -51.129 4.673 1.00 13.34 ATOM 674 N LEU 42 2.686 -50.067 4.118 1.00 51.24 ATOM 675 HN LEU 42 3.591 -50.162 3.758 1.00 37.29 ATOM 676 CA LEU 42 2.212 -48.728 4.496 1.00 71.21 ATOM 677 HA LEU 42 1.974 -48.746 5.550 1.00 51.43 ATOM 678 CB LEU 42 3.324 -47.698 4.258 1.00 54.02 ATOM 679 HB1 LEU 42 3.654 -47.789 3.232 1.00 37.29 ATOM 680 HB2 LEU 42 4.155 -47.944 4.905 1.00 40.43 ATOM 681 CG LEU 42 2.932 -46.230 4.506 1.00 22.24 ATOM 682 HG LEU 42 2.040 -46.007 3.937 1.00 65.14 ATOM 683 CD1 LEU 42 2.610 -45.993 5.981 1.00 10.30 ATOM 684 HD11 LEU 42 3.469 -46.249 6.586 1.00 12.44 ATOM 685 HD12 LEU 42 1.770 -46.607 6.271 1.00 1.22 ATOM 686 HD13 LEU 42 2.362 -44.952 6.132 1.00 53.31 ATOM 687 CD2 LEU 42 4.037 -45.291 4.025 1.00 11.02 ATOM 688 HD21 LEU 42 4.196 -45.434 2.965 1.00 51.45 ATOM 689 HD22 LEU 42 4.953 -45.505 4.557 1.00 32.15 ATOM 690 HD23 LEU 42 3.746 -44.267 4.208 1.00 52.12 ATOM 691 C LEU 42 0.955 -48.314 3.710 1.00 15.12 ATOM 692 O LEU 42 -0.091 -48.028 4.299 1.00 1.40 ATOM 693 N PHE 43 1.067 -48.291 2.380 1.00 64.42 ATOM 694 HN PHE 43 1.908 -48.586 1.969 1.00 37.29 ATOM 695 CA PHE 43 -0.031 -47.842 1.512 1.00 65.21 ATOM 696 HA PHE 43 -0.216 -46.801 1.738 1.00 61.40 ATOM 697 CB PHE 43 0.369 -47.961 0.030 1.00 72.53 ATOM 698 HB1 PHE 43 -0.456 -47.629 -0.586 1.00 37.29 ATOM 699 HB2 PHE 43 0.580 -48.996 -0.193 1.00 12.22 ATOM 700 CG PHE 43 1.587 -47.148 -0.350 1.00 25.45 ATOM 701 CD1 PHE 43 1.832 -45.917 0.240 1.00 43.21 ATOM 702 HD1 PHE 43 1.145 -45.539 0.984 1.00 64.13 ATOM 703 CD2 PHE 43 2.481 -47.617 -1.304 1.00 75.43 ATOM 704 HD2 PHE 43 2.302 -48.574 -1.774 1.00 22.33 ATOM 705 CE1 PHE 43 2.944 -45.174 -0.108 1.00 52.35 ATOM 706 HE1 PHE 43 3.121 -44.218 0.360 1.00 13.42 ATOM 707 CE2 PHE 43 3.594 -46.877 -1.655 1.00 33.40 ATOM 708 HE2 PHE 43 4.282 -47.255 -2.398 1.00 4.45 ATOM 709 CZ PHE 43 3.825 -45.654 -1.057 1.00 54.45 ATOM 710 HZ PHE 43 4.695 -45.075 -1.329 1.00 65.24 ATOM 711 C PHE 43 -1.321 -48.635 1.776 1.00 71.51 ATOM 712 O PHE 43 -2.403 -48.058 1.894 1.00 41.45 ATOM 713 N SER 44 -1.197 -49.957 1.880 1.00 63.24 ATOM 714 HN SER 44 -0.310 -50.365 1.759 1.00 37.29 ATOM 715 CA SER 44 -2.353 -50.823 2.167 1.00 1.33 ATOM 716 HA SER 44 -3.122 -50.599 1.441 1.00 63.04 ATOM 717 CB SER 44 -1.962 -52.305 2.036 1.00 74.32 ATOM 718 HB1 SER 44 -1.218 -52.549 2.781 1.00 37.29 ATOM 719 HB2 SER 44 -1.553 -52.482 1.052 1.00 44.34 ATOM 720 OG SER 44 -3.084 -53.157 2.218 1.00 43.31 ATOM 721 HG SER 44 -3.278 -53.613 1.390 1.00 52.32 ATOM 722 C SER 44 -2.912 -50.552 3.574 1.00 11.11 ATOM 723 O SER 44 -4.125 -50.464 3.769 1.00 12.13 ATOM 724 N PHE 45 -2.010 -50.392 4.542 1.00 54.24 ATOM 725 HN PHE 45 -1.058 -50.428 4.309 1.00 37.29 ATOM 726 CA PHE 45 -2.385 -50.155 5.943 1.00 4.04 ATOM 727 HA PHE 45 -2.963 -51.005 6.275 1.00 52.53 ATOM 728 CB PHE 45 -1.115 -50.052 6.803 1.00 24.23 ATOM 729 HB1 PHE 45 -0.508 -49.237 6.433 1.00 37.29 ATOM 730 HB2 PHE 45 -0.557 -50.972 6.711 1.00 24.43 ATOM 731 CG PHE 45 -1.369 -49.816 8.273 1.00 31.05 ATOM 732 CD1 PHE 45 -1.729 -50.867 9.106 1.00 72.42 ATOM 733 HD1 PHE 45 -1.837 -51.861 8.692 1.00 61.43 ATOM 734 CD2 PHE 45 -1.235 -48.547 8.822 1.00 22.21 ATOM 735 HD2 PHE 45 -0.955 -47.721 8.183 1.00 43.33 ATOM 736 CE1 PHE 45 -1.951 -50.656 10.454 1.00 52.11 ATOM 737 HE1 PHE 45 -2.230 -51.482 11.092 1.00 13.05 ATOM 738 CE2 PHE 45 -1.458 -48.332 10.167 1.00 4.13 ATOM 739 HE2 PHE 45 -1.351 -47.339 10.580 1.00 54.14 ATOM 740 CZ PHE 45 -1.815 -49.386 10.985 1.00 72.22 ATOM 741 HZ PHE 45 -1.989 -49.219 12.039 1.00 13.13 ATOM 742 C PHE 45 -3.242 -48.886 6.102 1.00 71.52 ATOM 743 O PHE 45 -4.327 -48.923 6.692 1.00 75.33 ATOM 744 N MET 46 -2.751 -47.765 5.575 1.00 54.04 ATOM 745 HN MET 46 -1.885 -47.797 5.111 1.00 37.29 ATOM 746 CA MET 46 -3.463 -46.486 5.680 1.00 71.35 ATOM 747 HA MET 46 -3.770 -46.372 6.713 1.00 45.13 ATOM 748 CB MET 46 -2.528 -45.320 5.322 1.00 61.15 ATOM 749 HB1 MET 46 -1.703 -45.311 6.021 1.00 37.29 ATOM 750 HB2 MET 46 -3.074 -44.392 5.419 1.00 31.23 ATOM 751 CG MET 46 -1.954 -45.386 3.913 1.00 4.03 ATOM 752 HG1 MET 46 -2.769 -45.389 3.203 1.00 37.29 ATOM 753 HG2 MET 46 -1.385 -46.298 3.810 1.00 13.30 ATOM 754 SD MET 46 -0.874 -43.989 3.545 1.00 52.11 ATOM 755 CE MET 46 -2.016 -42.621 3.739 1.00 10.42 ATOM 756 HE1 MET 46 -2.781 -42.681 2.981 1.00 32.24 ATOM 757 HE2 MET 46 -1.483 -41.688 3.641 1.00 44.21 ATOM 758 HE3 MET 46 -2.474 -42.670 4.715 1.00 30.24 ATOM 759 C MET 46 -4.727 -46.455 4.798 1.00 73.30 ATOM 760 O MET 46 -5.740 -45.853 5.167 1.00 14.44 ATOM 761 N GLN 47 -4.674 -47.111 3.642 1.00 55.05 ATOM 762 HN GLN 47 -3.842 -47.570 3.389 1.00 37.29 ATOM 763 CA GLN 47 -5.824 -47.161 2.730 1.00 3.34 ATOM 764 HA GLN 47 -6.067 -46.144 2.452 1.00 53.44 ATOM 765 CB GLN 47 -5.461 -47.948 1.463 1.00 72.13 ATOM 766 HB1 GLN 47 -5.203 -48.959 1.745 1.00 37.29 ATOM 767 HB2 GLN 47 -4.598 -47.484 1.004 1.00 12.02 ATOM 768 CG GLN 47 -6.576 -48.009 0.425 1.00 54.14 ATOM 769 HG1 GLN 47 -6.825 -47.002 0.121 1.00 37.29 ATOM 770 HG2 GLN 47 -7.444 -48.473 0.872 1.00 24.14 ATOM 771 CD GLN 47 -6.186 -48.807 -0.808 1.00 61.10 ATOM 772 OE1 GLN 47 -5.391 -49.737 -0.738 1.00 23.23 ATOM 773 NE2 GLN 47 -6.737 -48.448 -1.948 1.00 34.30 ATOM 774 HE21 GLN 47 -7.361 -47.695 -1.945 1.00 3.03 ATOM 775 HE22 GLN 47 -6.503 -48.956 -2.750 1.00 72.24 ATOM 776 C GLN 47 -7.052 -47.794 3.409 1.00 53.11 ATOM 777 O GLN 47 -8.184 -47.331 3.237 1.00 73.32 ATOM 778 N LYS 48 -6.815 -48.840 4.195 1.00 0.52 ATOM 779 HN LYS 48 -5.887 -49.137 4.322 1.00 37.29 ATOM 780 CA LYS 48 -7.893 -49.576 4.872 1.00 15.34 ATOM 781 HA LYS 48 -8.607 -49.871 4.114 1.00 62.24 ATOM 782 CB LYS 48 -7.318 -50.844 5.518 1.00 34.15 ATOM 783 HB1 LYS 48 -8.092 -51.329 6.094 1.00 37.29 ATOM 784 HB2 LYS 48 -6.509 -50.564 6.179 1.00 52.54 ATOM 785 CG LYS 48 -6.782 -51.845 4.498 1.00 11.15 ATOM 786 HG1 LYS 48 -6.182 -51.314 3.771 1.00 37.29 ATOM 787 HG2 LYS 48 -7.616 -52.315 3.998 1.00 33.22 ATOM 788 CD LYS 48 -5.924 -52.930 5.144 1.00 31.22 ATOM 789 HD1 LYS 48 -6.534 -53.503 5.829 1.00 37.29 ATOM 790 HD2 LYS 48 -5.111 -52.464 5.684 1.00 23.45 ATOM 791 CE LYS 48 -5.346 -53.867 4.092 1.00 41.44 ATOM 792 HE1 LYS 48 -4.908 -53.273 3.302 1.00 37.29 ATOM 793 HE2 LYS 48 -6.145 -54.468 3.685 1.00 71.01 ATOM 794 NZ LYS 48 -4.305 -54.768 4.649 1.00 44.12 ATOM 795 HZ1 LYS 48 -4.711 -55.374 5.389 1.00 34.54 ATOM 796 HZ2 LYS 48 -3.533 -54.209 5.064 1.00 72.13 ATOM 797 HZ3 LYS 48 -3.912 -55.369 3.898 1.00 52.05 ATOM 798 C LYS 48 -8.632 -48.722 5.922 1.00 22.25 ATOM 799 O LYS 48 -9.771 -49.021 6.279 1.00 31.33 ATOM 800 N ARG 49 -7.991 -47.661 6.419 1.00 12.25 ATOM 801 HN ARG 49 -7.069 -47.484 6.133 1.00 37.29 ATOM 802 CA ARG 49 -8.631 -46.761 7.397 1.00 14.15 ATOM 803 HA ARG 49 -9.479 -47.289 7.811 1.00 23.34 ATOM 804 CB ARG 49 -7.667 -46.429 8.546 1.00 52.34 ATOM 805 HB1 ARG 49 -7.483 -47.331 9.113 1.00 37.29 ATOM 806 HB2 ARG 49 -8.136 -45.701 9.194 1.00 71.40 ATOM 807 CG ARG 49 -6.324 -45.868 8.097 1.00 54.00 ATOM 808 HG1 ARG 49 -6.497 -45.044 7.418 1.00 37.29 ATOM 809 HG2 ARG 49 -5.773 -46.645 7.586 1.00 15.30 ATOM 810 CD ARG 49 -5.500 -45.372 9.276 1.00 42.20 ATOM 811 HD1 ARG 49 -4.517 -45.095 8.922 1.00 37.29 ATOM 812 HD2 ARG 49 -5.408 -46.170 10.000 1.00 65.05 ATOM 813 NE ARG 49 -6.116 -44.210 9.918 1.00 31.12 ATOM 814 HE ARG 49 -6.651 -43.613 9.355 1.00 33.11 ATOM 815 CZ ARG 49 -5.977 -43.900 11.178 1.00 5.24 ATOM 816 NH1 ARG 49 -5.339 -44.684 11.991 1.00 23.21 ATOM 817 HH11 ARG 49 -4.953 -45.542 11.660 1.00 52.41 ATOM 818 HH12 ARG 49 -5.236 -44.424 12.951 1.00 3.30 ATOM 819 NH2 ARG 49 -6.507 -42.811 11.631 1.00 31.15 ATOM 820 HH21 ARG 49 -7.022 -42.213 11.017 1.00 63.44 ATOM 821 HH22 ARG 49 -6.395 -42.566 12.592 1.00 72.20 ATOM 822 C ARG 49 -9.158 -45.463 6.749 1.00 73.23 ATOM 823 O ARG 49 -9.394 -44.469 7.439 1.00 72.04 ATOM 824 N GLY 50 -9.350 -45.478 5.431 1.00 23.34 ATOM 825 HN GLY 50 -9.080 -46.267 4.916 1.00 37.29 ATOM 826 CA GLY 50 -9.965 -44.340 4.745 1.00 1.53 ATOM 827 HA1 GLY 50 -10.741 -43.932 5.380 1.00 37.29 ATOM 828 HA2 GLY 50 -10.425 -44.700 3.837 1.00 34.52 ATOM 829 C GLY 50 -8.991 -43.222 4.381 1.00 1.40 ATOM 830 O GLY 50 -9.381 -42.058 4.289 1.00 54.43 ATOM 831 N THR 51 -7.724 -43.564 4.174 1.00 23.31 ATOM 832 HN THR 51 -7.447 -44.492 4.332 1.00 37.29 ATOM 833 CA THR 51 -6.725 -42.581 3.726 1.00 50.42 ATOM 834 HA THR 51 -7.242 -41.847 3.118 1.00 34.32 ATOM 835 CB THR 51 -6.075 -41.829 4.924 1.00 25.14 ATOM 836 HB THR 51 -6.843 -41.234 5.399 1.00 44.32 ATOM 837 OG1 THR 51 -5.036 -40.943 4.469 1.00 64.40 ATOM 838 HG1 THR 51 -4.198 -41.189 4.884 1.00 21.31 ATOM 839 CG2 THR 51 -5.509 -42.792 5.963 1.00 34.10 ATOM 840 HG21 THR 51 -6.292 -43.451 6.309 1.00 51.54 ATOM 841 HG22 THR 51 -5.116 -42.232 6.799 1.00 61.11 ATOM 842 HG23 THR 51 -4.716 -43.378 5.519 1.00 33.31 ATOM 843 C THR 51 -5.644 -43.246 2.853 1.00 42.01 ATOM 844 O THR 51 -4.661 -43.776 3.359 1.00 30.55 ATOM 845 N PRO 52 -5.848 -43.278 1.521 1.00 50.10 ATOM 846 CA PRO 52 -4.890 -43.876 0.578 1.00 42.25 ATOM 847 HA PRO 52 -4.390 -44.733 1.008 1.00 31.31 ATOM 848 CB PRO 52 -5.813 -44.335 -0.550 1.00 23.31 ATOM 849 HB1 PRO 52 -6.215 -45.311 -0.317 1.00 37.29 ATOM 850 HB2 PRO 52 -5.263 -44.378 -1.481 1.00 61.31 ATOM 851 CG PRO 52 -6.891 -43.296 -0.593 1.00 32.41 ATOM 852 HG1 PRO 52 -7.816 -43.743 -0.930 1.00 37.29 ATOM 853 HG2 PRO 52 -6.601 -42.496 -1.260 1.00 72.22 ATOM 854 CD PRO 52 -7.047 -42.771 0.821 1.00 34.25 ATOM 855 HD1 PRO 52 -7.949 -43.161 1.272 1.00 37.29 ATOM 856 HD2 PRO 52 -7.064 -41.690 0.824 1.00 60.54 ATOM 857 C PRO 52 -3.837 -42.883 0.041 1.00 63.42 ATOM 858 O PRO 52 -3.861 -41.689 0.354 1.00 24.34 ATOM 859 N VAL 53 -2.912 -43.390 -0.779 1.00 44.43 ATOM 860 HN VAL 53 -2.913 -44.352 -0.957 1.00 37.29 ATOM 861 CA VAL 53 -1.890 -42.553 -1.422 1.00 22.41 ATOM 862 HA VAL 53 -2.025 -41.534 -1.078 1.00 73.13 ATOM 863 CB VAL 53 -0.455 -43.007 -1.044 1.00 63.33 ATOM 864 HB VAL 53 -0.298 -43.997 -1.455 1.00 62.10 ATOM 865 CG1 VAL 53 0.594 -42.072 -1.651 1.00 32.23 ATOM 866 HG11 VAL 53 1.582 -42.424 -1.394 1.00 33.30 ATOM 867 HG12 VAL 53 0.456 -41.072 -1.265 1.00 10.31 ATOM 868 HG13 VAL 53 0.487 -42.060 -2.727 1.00 71.52 ATOM 869 CG2 VAL 53 -0.293 -43.091 0.472 1.00 63.32 ATOM 870 HG21 VAL 53 -0.481 -42.121 0.913 1.00 5.44 ATOM 871 HG22 VAL 53 0.713 -43.404 0.711 1.00 2.41 ATOM 872 HG23 VAL 53 -0.995 -43.809 0.871 1.00 64.22 ATOM 873 C VAL 53 -2.041 -42.582 -2.951 1.00 32.05 ATOM 874 O VAL 53 -1.614 -43.531 -3.612 1.00 64.03 ATOM 875 N ASN 54 -2.671 -41.549 -3.505 1.00 25.43 ATOM 876 HN ASN 54 -3.008 -40.834 -2.925 1.00 37.29 ATOM 877 CA ASN 54 -2.886 -41.459 -4.955 1.00 4.20 ATOM 878 HA ASN 54 -2.869 -42.463 -5.359 1.00 72.21 ATOM 879 CB ASN 54 -4.255 -40.834 -5.240 1.00 14.02 ATOM 880 HB1 ASN 54 -4.441 -40.852 -6.306 1.00 37.29 ATOM 881 HB2 ASN 54 -4.257 -39.809 -4.894 1.00 50.35 ATOM 882 CG ASN 54 -5.377 -41.580 -4.542 1.00 74.13 ATOM 883 OD1 ASN 54 -5.742 -41.262 -3.413 1.00 33.22 ATOM 884 ND2 ASN 54 -5.928 -42.581 -5.197 1.00 13.01 ATOM 885 HD21 ASN 54 -5.594 -42.792 -6.092 1.00 53.20 ATOM 886 HD22 ASN 54 -6.644 -43.081 -4.752 1.00 72.44 ATOM 887 C ASN 54 -1.774 -40.640 -5.632 1.00 60.04 ATOM 888 O ASN 54 -1.127 -41.102 -6.575 1.00 61.14 ATOM 889 N ARG 55 -1.562 -39.415 -5.150 1.00 12.02 ATOM 890 HN ARG 55 -2.142 -39.079 -4.437 1.00 37.29 ATOM 891 CA ARG 55 -0.487 -38.558 -5.658 1.00 62.21 ATOM 892 HA ARG 55 -0.067 -39.036 -6.535 1.00 53.02 ATOM 893 CB ARG 55 -1.040 -37.183 -6.063 1.00 15.44 ATOM 894 HB1 ARG 55 -1.426 -36.688 -5.184 1.00 37.29 ATOM 895 HB2 ARG 55 -1.848 -37.327 -6.768 1.00 14.23 ATOM 896 CG ARG 55 0.005 -36.272 -6.707 1.00 61.04 ATOM 897 HG1 ARG 55 0.450 -36.790 -7.544 1.00 37.29 ATOM 898 HG2 ARG 55 0.769 -36.046 -5.977 1.00 60.23 ATOM 899 CD ARG 55 -0.601 -34.962 -7.202 1.00 74.44 ATOM 900 HD1 ARG 55 -1.399 -35.189 -7.894 1.00 37.29 ATOM 901 HD2 ARG 55 0.166 -34.399 -7.715 1.00 53.25 ATOM 902 NE ARG 55 -1.138 -34.146 -6.113 1.00 75.02 ATOM 903 HE ARG 55 -1.098 -34.513 -5.206 1.00 63.21 ATOM 904 CZ ARG 55 -1.651 -32.954 -6.272 1.00 43.10 ATOM 905 NH1 ARG 55 -1.763 -32.434 -7.451 1.00 51.11 ATOM 906 HH11 ARG 55 -1.461 -32.944 -8.253 1.00 3.21 ATOM 907 HH12 ARG 55 -2.158 -31.522 -7.557 1.00 22.41 ATOM 908 NH2 ARG 55 -2.076 -32.293 -5.248 1.00 40.43 ATOM 909 HH21 ARG 55 -2.017 -32.694 -4.334 1.00 23.43 ATOM 910 HH22 ARG 55 -2.460 -31.381 -5.372 1.00 42.04 ATOM 911 C ARG 55 0.625 -38.397 -4.608 1.00 43.32 ATOM 912 O ARG 55 0.383 -37.921 -3.496 1.00 13.33 ATOM 913 N ILE 56 1.840 -38.796 -4.971 1.00 3.31 ATOM 914 HN ILE 56 1.974 -39.137 -5.883 1.00 37.29 ATOM 915 CA ILE 56 2.988 -38.744 -4.056 1.00 2.34 ATOM 916 HA ILE 56 2.632 -39.024 -3.072 1.00 12.32 ATOM 917 CB ILE 56 4.066 -39.776 -4.487 1.00 22.43 ATOM 918 HB ILE 56 4.321 -39.586 -5.520 1.00 54.31 ATOM 919 CG1 ILE 56 3.488 -41.199 -4.371 1.00 30.22 ATOM 920 HG11 ILE 56 2.616 -41.279 -5.005 1.00 37.29 ATOM 921 HG12 ILE 56 3.195 -41.379 -3.347 1.00 14.02 ATOM 922 CG2 ILE 56 5.340 -39.634 -3.655 1.00 31.35 ATOM 923 HG21 ILE 56 5.751 -38.643 -3.790 1.00 13.14 ATOM 924 HG22 ILE 56 6.066 -40.368 -3.975 1.00 52.44 ATOM 925 HG23 ILE 56 5.111 -39.788 -2.610 1.00 71.44 ATOM 926 CD1 ILE 56 4.452 -42.295 -4.771 1.00 64.04 ATOM 927 HD11 ILE 56 5.329 -42.247 -4.147 1.00 61.33 ATOM 928 HD12 ILE 56 4.738 -42.164 -5.803 1.00 34.13 ATOM 929 HD13 ILE 56 3.975 -43.255 -4.648 1.00 64.11 ATOM 930 C ILE 56 3.593 -37.326 -3.972 1.00 10.03 ATOM 931 O ILE 56 3.814 -36.672 -4.991 1.00 43.34 ATOM 932 N PRO 57 3.853 -36.826 -2.739 1.00 44.21 ATOM 933 CA PRO 57 4.363 -35.454 -2.522 1.00 62.14 ATOM 934 HA PRO 57 3.717 -34.722 -2.990 1.00 73.23 ATOM 935 CB PRO 57 4.285 -35.289 -0.995 1.00 43.22 ATOM 936 HB1 PRO 57 3.346 -34.822 -0.729 1.00 37.29 ATOM 937 HB2 PRO 57 5.106 -34.676 -0.648 1.00 10.53 ATOM 938 CG PRO 57 4.372 -36.679 -0.458 1.00 44.13 ATOM 939 HG1 PRO 57 3.874 -36.737 0.501 1.00 37.29 ATOM 940 HG2 PRO 57 5.408 -36.972 -0.359 1.00 33.12 ATOM 941 CD PRO 57 3.673 -37.555 -1.463 1.00 10.53 ATOM 942 HD1 PRO 57 2.625 -37.652 -1.218 1.00 37.29 ATOM 943 HD2 PRO 57 4.142 -38.528 -1.505 1.00 74.24 ATOM 944 C PRO 57 5.810 -35.233 -3.019 1.00 61.15 ATOM 945 O PRO 57 6.683 -36.094 -2.864 1.00 0.23 ATOM 946 N ILE 58 6.052 -34.056 -3.606 1.00 41.44 ATOM 947 HN ILE 58 5.313 -33.423 -3.716 1.00 37.29 ATOM 948 CA ILE 58 7.382 -33.674 -4.099 1.00 11.30 ATOM 949 HA ILE 58 8.053 -34.512 -3.959 1.00 42.30 ATOM 950 CB ILE 58 7.333 -33.330 -5.613 1.00 21.14 ATOM 951 HB ILE 58 6.671 -32.484 -5.739 1.00 12.15 ATOM 952 CG1 ILE 58 6.781 -34.517 -6.427 1.00 22.20 ATOM 953 HG11 ILE 58 6.717 -34.232 -7.467 1.00 37.29 ATOM 954 HG12 ILE 58 5.792 -34.762 -6.068 1.00 44.24 ATOM 955 CG2 ILE 58 8.717 -32.920 -6.124 1.00 73.20 ATOM 956 HG21 ILE 58 9.052 -32.039 -5.595 1.00 34.25 ATOM 957 HG22 ILE 58 8.663 -32.705 -7.181 1.00 61.12 ATOM 958 HG23 ILE 58 9.418 -33.726 -5.958 1.00 50.52 ATOM 959 CD1 ILE 58 7.623 -35.774 -6.342 1.00 54.41 ATOM 960 HD11 ILE 58 8.622 -35.565 -6.695 1.00 0.42 ATOM 961 HD12 ILE 58 7.179 -36.545 -6.955 1.00 73.43 ATOM 962 HD13 ILE 58 7.666 -36.111 -5.317 1.00 50.22 ATOM 963 C ILE 58 7.924 -32.458 -3.321 1.00 54.13 ATOM 964 O ILE 58 7.165 -31.562 -2.948 1.00 2.52 ATOM 965 N MET 59 9.232 -32.434 -3.073 1.00 22.34 ATOM 966 HN MET 59 9.788 -33.179 -3.385 1.00 37.29 ATOM 967 CA MET 59 9.870 -31.328 -2.346 1.00 63.43 ATOM 968 HA MET 59 9.240 -30.453 -2.442 1.00 50.34 ATOM 969 CB MET 59 10.004 -31.686 -0.857 1.00 10.42 ATOM 970 HB1 MET 59 10.618 -32.571 -0.766 1.00 37.29 ATOM 971 HB2 MET 59 9.020 -31.901 -0.463 1.00 21.43 ATOM 972 CG MET 59 10.628 -30.582 -0.009 1.00 63.14 ATOM 973 HG1 MET 59 11.584 -30.311 -0.437 1.00 37.29 ATOM 974 HG2 MET 59 10.780 -30.956 0.992 1.00 55.04 ATOM 975 SD MET 59 9.600 -29.104 0.082 1.00 53.54 ATOM 976 CE MET 59 8.218 -29.708 1.048 1.00 12.23 ATOM 977 HE1 MET 59 7.488 -28.921 1.168 1.00 42.12 ATOM 978 HE2 MET 59 8.570 -30.021 2.021 1.00 31.21 ATOM 979 HE3 MET 59 7.764 -30.548 0.541 1.00 4.13 ATOM 980 C MET 59 11.257 -31.007 -2.932 1.00 33.44 ATOM 981 O MET 59 12.050 -31.909 -3.185 1.00 33.24 ATOM 982 N ALA 60 11.539 -29.719 -3.149 1.00 13.51 ATOM 983 HN ALA 60 10.855 -29.046 -2.954 1.00 37.29 ATOM 984 CA ALA 60 12.845 -29.274 -3.665 1.00 41.24 ATOM 985 HA ALA 60 12.802 -28.199 -3.778 1.00 63.53 ATOM 986 CB ALA 60 13.943 -29.595 -2.651 1.00 55.53 ATOM 987 HB1 ALA 60 14.884 -29.193 -2.998 1.00 63.13 ATOM 988 HB2 ALA 60 14.029 -30.666 -2.538 1.00 72.04 ATOM 989 HB3 ALA 60 13.693 -29.152 -1.697 1.00 32.25 ATOM 990 C ALA 60 13.176 -29.896 -5.036 1.00 31.30 ATOM 991 O ALA 60 14.343 -30.115 -5.362 1.00 15.44 ATOM 992 N LYS 61 12.137 -30.152 -5.838 1.00 23.44 ATOM 993 HN LYS 61 11.237 -29.930 -5.524 1.00 37.29 ATOM 994 CA LYS 61 12.286 -30.758 -7.175 1.00 63.02 ATOM 995 HA LYS 61 11.304 -30.767 -7.627 1.00 32.00 ATOM 996 CB LYS 61 13.221 -29.916 -8.065 1.00 64.34 ATOM 997 HB1 LYS 61 13.382 -30.446 -8.995 1.00 37.29 ATOM 998 HB2 LYS 61 14.171 -29.802 -7.563 1.00 43.14 ATOM 999 CG LYS 61 12.687 -28.522 -8.399 1.00 2.41 ATOM 1000 HG1 LYS 61 13.412 -28.011 -9.018 1.00 37.29 ATOM 1001 HG2 LYS 61 12.552 -27.972 -7.479 1.00 15.22 ATOM 1002 CD LYS 61 11.351 -28.574 -9.142 1.00 43.32 ATOM 1003 HD1 LYS 61 11.071 -27.567 -9.422 1.00 37.29 ATOM 1004 HD2 LYS 61 10.600 -28.983 -8.481 1.00 41.21 ATOM 1005 CE LYS 61 11.423 -29.437 -10.402 1.00 12.42 ATOM 1006 HE1 LYS 61 10.466 -29.396 -10.904 1.00 37.29 ATOM 1007 HE2 LYS 61 11.629 -30.457 -10.114 1.00 62.41 ATOM 1008 NZ LYS 61 12.482 -28.981 -11.343 1.00 43.44 ATOM 1009 HZ1 LYS 61 12.293 -28.007 -11.652 1.00 43.52 ATOM 1010 HZ2 LYS 61 12.507 -29.599 -12.180 1.00 71.41 ATOM 1011 HZ3 LYS 61 13.412 -29.012 -10.880 1.00 64.45 ATOM 1012 C LYS 61 12.783 -32.216 -7.102 1.00 33.32 ATOM 1013 O LYS 61 13.355 -32.743 -8.063 1.00 72.24 ATOM 1014 N GLN 62 12.563 -32.857 -5.955 1.00 74.32 ATOM 1015 HN GLN 62 12.208 -32.354 -5.192 1.00 37.29 ATOM 1016 CA GLN 62 12.837 -34.290 -5.788 1.00 20.11 ATOM 1017 HA GLN 62 12.848 -34.742 -6.771 1.00 63.13 ATOM 1018 CB GLN 62 14.204 -34.516 -5.116 1.00 45.32 ATOM 1019 HB1 GLN 62 14.968 -34.049 -5.724 1.00 37.29 ATOM 1020 HB2 GLN 62 14.399 -35.579 -5.073 1.00 52.12 ATOM 1021 CG GLN 62 14.309 -33.953 -3.702 1.00 61.34 ATOM 1022 HG1 GLN 62 13.496 -34.347 -3.109 1.00 37.29 ATOM 1023 HG2 GLN 62 14.228 -32.877 -3.751 1.00 43.50 ATOM 1024 CD GLN 62 15.625 -34.309 -3.024 1.00 65.13 ATOM 1025 OE1 GLN 62 16.611 -33.580 -3.113 1.00 44.52 ATOM 1026 NE2 GLN 62 15.648 -35.434 -2.338 1.00 31.12 ATOM 1027 HE21 GLN 62 14.830 -35.969 -2.300 1.00 61.45 ATOM 1028 HE22 GLN 62 16.484 -35.690 -1.901 1.00 34.05 ATOM 1029 C GLN 62 11.720 -34.947 -4.964 1.00 75.11 ATOM 1030 O GLN 62 10.971 -34.266 -4.264 1.00 54.42 ATOM 1031 N VAL 63 11.599 -36.265 -5.050 1.00 65.15 ATOM 1032 HN VAL 63 12.237 -36.770 -5.592 1.00 37.29 ATOM 1033 CA VAL 63 10.533 -36.982 -4.342 1.00 63.11 ATOM 1034 HA VAL 63 9.600 -36.476 -4.557 1.00 72.32 ATOM 1035 CB VAL 63 10.410 -38.442 -4.841 1.00 35.34 ATOM 1036 HB VAL 63 10.260 -38.418 -5.913 1.00 21.41 ATOM 1037 CG1 VAL 63 11.691 -39.227 -4.563 1.00 21.44 ATOM 1038 HG11 VAL 63 11.880 -39.247 -3.499 1.00 74.14 ATOM 1039 HG12 VAL 63 12.521 -38.751 -5.065 1.00 63.15 ATOM 1040 HG13 VAL 63 11.583 -40.238 -4.929 1.00 35.20 ATOM 1041 CG2 VAL 63 9.197 -39.126 -4.210 1.00 14.53 ATOM 1042 HG21 VAL 63 9.123 -40.143 -4.571 1.00 3.03 ATOM 1043 HG22 VAL 63 8.299 -38.587 -4.478 1.00 1.52 ATOM 1044 HG23 VAL 63 9.302 -39.133 -3.134 1.00 73.44 ATOM 1045 C VAL 63 10.754 -36.983 -2.819 1.00 11.04 ATOM 1046 O VAL 63 11.890 -37.050 -2.343 1.00 61.55 ATOM 1047 N LEU 64 9.661 -36.892 -2.064 1.00 45.05 ATOM 1048 HN LEU 64 8.792 -36.760 -2.498 1.00 37.29 ATOM 1049 CA LEU 64 9.723 -36.983 -0.605 1.00 51.45 ATOM 1050 HA LEU 64 10.582 -36.416 -0.272 1.00 53.14 ATOM 1051 CB LEU 64 8.450 -36.381 0.017 1.00 61.33 ATOM 1052 HB1 LEU 64 7.602 -36.956 -0.332 1.00 37.29 ATOM 1053 HB2 LEU 64 8.345 -35.367 -0.344 1.00 71.41 ATOM 1054 CG LEU 64 8.410 -36.351 1.555 1.00 33.42 ATOM 1055 HG LEU 64 8.559 -37.354 1.930 1.00 24.04 ATOM 1056 CD1 LEU 64 9.534 -35.479 2.110 1.00 2.21 ATOM 1057 HD11 LEU 64 9.431 -34.470 1.735 1.00 13.03 ATOM 1058 HD12 LEU 64 10.488 -35.881 1.802 1.00 61.11 ATOM 1059 HD13 LEU 64 9.482 -35.468 3.190 1.00 53.35 ATOM 1060 CD2 LEU 64 7.046 -35.865 2.049 1.00 71.45 ATOM 1061 HD21 LEU 64 7.025 -35.884 3.129 1.00 45.05 ATOM 1062 HD22 LEU 64 6.272 -36.513 1.664 1.00 14.31 ATOM 1063 HD23 LEU 64 6.873 -34.855 1.704 1.00 21.13 ATOM 1064 C LEU 64 9.891 -38.446 -0.163 1.00 11.52 ATOM 1065 O LEU 64 8.941 -39.231 -0.206 1.00 34.43 ATOM 1066 N ASP 65 11.110 -38.814 0.227 1.00 62.32 ATOM 1067 HN ASP 65 11.840 -38.155 0.195 1.00 37.29 ATOM 1068 CA ASP 65 11.407 -40.183 0.665 1.00 1.32 ATOM 1069 HA ASP 65 11.192 -40.847 -0.159 1.00 70.44 ATOM 1070 CB ASP 65 12.891 -40.314 1.034 1.00 13.00 ATOM 1071 HB1 ASP 65 13.118 -41.357 1.213 1.00 37.29 ATOM 1072 HB2 ASP 65 13.082 -39.754 1.937 1.00 2.32 ATOM 1073 CG ASP 65 13.820 -39.798 -0.048 1.00 45.32 ATOM 1074 OD1 ASP 65 13.923 -38.566 -0.207 1.00 65.32 ATOM 1075 OD2 ASP 65 14.465 -40.619 -0.727 1.00 72.45 ATOM 1076 C ASP 65 10.550 -40.597 1.877 1.00 74.13 ATOM 1077 O ASP 65 10.992 -40.484 3.015 1.00 41.11 ATOM 1078 N LEU 66 9.330 -41.077 1.632 1.00 44.14 ATOM 1079 HN LEU 66 9.011 -41.111 0.703 1.00 37.29 ATOM 1080 CA LEU 66 8.433 -41.514 2.717 1.00 52.34 ATOM 1081 HA LEU 66 8.202 -40.644 3.315 1.00 54.32 ATOM 1082 CB LEU 66 7.123 -42.074 2.136 1.00 12.24 ATOM 1083 HB1 LEU 66 6.515 -42.434 2.954 1.00 37.29 ATOM 1084 HB2 LEU 66 7.368 -42.912 1.497 1.00 41.34 ATOM 1085 CG LEU 66 6.286 -41.073 1.319 1.00 31.23 ATOM 1086 HG LEU 66 6.861 -40.752 0.463 1.00 33.41 ATOM 1087 CD1 LEU 66 5.008 -41.730 0.801 1.00 2.35 ATOM 1088 HD11 LEU 66 4.395 -42.039 1.636 1.00 33.03 ATOM 1089 HD12 LEU 66 5.264 -42.595 0.205 1.00 51.22 ATOM 1090 HD13 LEU 66 4.460 -41.026 0.192 1.00 44.02 ATOM 1091 CD2 LEU 66 5.956 -39.836 2.154 1.00 24.11 ATOM 1092 HD21 LEU 66 6.871 -39.344 2.445 1.00 34.52 ATOM 1093 HD22 LEU 66 5.409 -40.131 3.038 1.00 12.24 ATOM 1094 HD23 LEU 66 5.353 -39.156 1.569 1.00 75.54 ATOM 1095 C LEU 66 9.103 -42.562 3.626 1.00 35.24 ATOM 1096 O LEU 66 8.918 -42.555 4.845 1.00 34.33 ATOM 1097 N PHE 67 9.893 -43.452 3.024 1.00 22.02 ATOM 1098 HN PHE 67 9.980 -43.421 2.050 1.00 37.29 ATOM 1099 CA PHE 67 10.627 -44.480 3.775 1.00 0.12 ATOM 1100 HA PHE 67 9.905 -45.077 4.314 1.00 33.13 ATOM 1101 CB PHE 67 11.389 -45.386 2.793 1.00 10.32 ATOM 1102 HB1 PHE 67 12.042 -44.773 2.185 1.00 37.29 ATOM 1103 HB2 PHE 67 10.676 -45.881 2.150 1.00 64.22 ATOM 1104 CG PHE 67 12.232 -46.453 3.452 1.00 32.13 ATOM 1105 CD1 PHE 67 11.646 -47.594 3.982 1.00 72.53 ATOM 1106 HD1 PHE 67 10.573 -47.712 3.928 1.00 50.11 ATOM 1107 CD2 PHE 67 13.613 -46.320 3.532 1.00 41.44 ATOM 1108 HD2 PHE 67 14.086 -45.437 3.124 1.00 64.13 ATOM 1109 CE1 PHE 67 12.415 -48.576 4.579 1.00 11.23 ATOM 1110 HE1 PHE 67 11.944 -49.458 4.988 1.00 74.12 ATOM 1111 CE2 PHE 67 14.386 -47.299 4.127 1.00 21.41 ATOM 1112 HE2 PHE 67 15.458 -47.182 4.182 1.00 25.34 ATOM 1113 CZ PHE 67 13.787 -48.429 4.651 1.00 21.24 ATOM 1114 HZ PHE 67 14.389 -49.195 5.116 1.00 41.33 ATOM 1115 C PHE 67 11.602 -43.850 4.787 1.00 73.15 ATOM 1116 O PHE 67 11.590 -44.183 5.974 1.00 2.12 ATOM 1117 N MET 68 12.425 -42.917 4.313 1.00 70.02 ATOM 1118 HN MET 68 12.366 -42.664 3.372 1.00 37.29 ATOM 1119 CA MET 68 13.408 -42.248 5.172 1.00 65.23 ATOM 1120 HA MET 68 13.887 -43.005 5.777 1.00 14.34 ATOM 1121 CB MET 68 14.474 -41.549 4.321 1.00 43.33 ATOM 1122 HB1 MET 68 15.210 -41.107 4.976 1.00 37.29 ATOM 1123 HB2 MET 68 14.003 -40.764 3.744 1.00 2.40 ATOM 1124 CG MET 68 15.193 -42.480 3.356 1.00 24.00 ATOM 1125 HG1 MET 68 15.945 -41.916 2.821 1.00 37.29 ATOM 1126 HG2 MET 68 14.472 -42.869 2.652 1.00 71.43 ATOM 1127 SD MET 68 15.993 -43.865 4.191 1.00 13.22 ATOM 1128 CE MET 68 17.189 -43.008 5.218 1.00 42.02 ATOM 1129 HE1 MET 68 16.673 -42.355 5.906 1.00 71.40 ATOM 1130 HE2 MET 68 17.847 -42.423 4.592 1.00 35.11 ATOM 1131 HE3 MET 68 17.771 -43.730 5.773 1.00 64.21 ATOM 1132 C MET 68 12.727 -41.233 6.101 1.00 44.24 ATOM 1133 O MET 68 13.186 -40.989 7.213 1.00 3.40 ATOM 1134 N LEU 69 11.623 -40.655 5.633 1.00 23.44 ATOM 1135 HN LEU 69 11.324 -40.874 4.732 1.00 37.29 ATOM 1136 CA LEU 69 10.836 -39.706 6.425 1.00 13.41 ATOM 1137 HA LEU 69 11.458 -38.847 6.638 1.00 1.00 ATOM 1138 CB LEU 69 9.602 -39.254 5.627 1.00 51.31 ATOM 1139 HB1 LEU 69 8.948 -40.107 5.504 1.00 37.29 ATOM 1140 HB2 LEU 69 9.935 -38.939 4.647 1.00 30.34 ATOM 1141 CG LEU 69 8.789 -38.108 6.250 1.00 23.35 ATOM 1142 HG LEU 69 8.523 -38.373 7.265 1.00 55.41 ATOM 1143 CD1 LEU 69 9.627 -36.836 6.305 1.00 21.33 ATOM 1144 HD11 LEU 69 9.053 -36.042 6.758 1.00 44.32 ATOM 1145 HD12 LEU 69 9.913 -36.549 5.303 1.00 15.50 ATOM 1146 HD13 LEU 69 10.517 -37.017 6.892 1.00 62.23 ATOM 1147 CD2 LEU 69 7.496 -37.873 5.468 1.00 3.22 ATOM 1148 HD21 LEU 69 6.909 -38.780 5.463 1.00 24.12 ATOM 1149 HD22 LEU 69 7.732 -37.592 4.452 1.00 72.30 ATOM 1150 HD23 LEU 69 6.929 -37.082 5.938 1.00 73.41 ATOM 1151 C LEU 69 10.400 -40.351 7.743 1.00 3.23 ATOM 1152 O LEU 69 10.587 -39.785 8.821 1.00 71.11 ATOM 1153 N TYR 70 9.828 -41.551 7.640 1.00 63.52 ATOM 1154 HN TYR 70 9.656 -41.920 6.745 1.00 37.29 ATOM 1155 CA TYR 70 9.441 -42.328 8.818 1.00 2.34 ATOM 1156 HA TYR 70 8.715 -41.750 9.371 1.00 0.52 ATOM 1157 CB TYR 70 8.800 -43.656 8.387 1.00 20.34 ATOM 1158 HB1 TYR 70 9.534 -44.249 7.858 1.00 37.29 ATOM 1159 HB2 TYR 70 7.974 -43.446 7.722 1.00 21.44 ATOM 1160 CG TYR 70 8.265 -44.490 9.539 1.00 3.13 ATOM 1161 CD1 TYR 70 7.035 -44.195 10.123 1.00 61.10 ATOM 1162 HD1 TYR 70 6.466 -43.356 9.751 1.00 53.33 ATOM 1163 CD2 TYR 70 8.981 -45.577 10.037 1.00 71.14 ATOM 1164 HD2 TYR 70 9.939 -45.821 9.599 1.00 20.25 ATOM 1165 CE1 TYR 70 6.538 -44.954 11.163 1.00 3.13 ATOM 1166 HE1 TYR 70 5.581 -44.707 11.601 1.00 15.45 ATOM 1167 CE2 TYR 70 8.488 -46.339 11.079 1.00 51.21 ATOM 1168 HE2 TYR 70 9.059 -47.178 11.453 1.00 52.31 ATOM 1169 CZ TYR 70 7.266 -46.024 11.638 1.00 0.41 ATOM 1170 OH TYR 70 6.771 -46.782 12.675 1.00 23.10 ATOM 1171 HH TYR 70 7.464 -46.929 13.324 1.00 40.41 ATOM 1172 C TYR 70 10.655 -42.595 9.719 1.00 42.45 ATOM 1173 O TYR 70 10.615 -42.339 10.921 1.00 55.54 ATOM 1174 N VAL 71 11.738 -43.104 9.126 1.00 45.30 ATOM 1175 HN VAL 71 11.710 -43.292 8.159 1.00 37.29 ATOM 1176 CA VAL 71 12.969 -43.398 9.874 1.00 24.41 ATOM 1177 HA VAL 71 12.753 -44.213 10.550 1.00 65.32 ATOM 1178 CB VAL 71 14.109 -43.851 8.925 1.00 60.14 ATOM 1179 HB VAL 71 14.299 -43.052 8.221 1.00 11.24 ATOM 1180 CG1 VAL 71 15.401 -44.112 9.703 1.00 41.03 ATOM 1181 HG11 VAL 71 16.174 -44.438 9.022 1.00 33.44 ATOM 1182 HG12 VAL 71 15.228 -44.880 10.444 1.00 11.55 ATOM 1183 HG13 VAL 71 15.717 -43.203 10.194 1.00 42.00 ATOM 1184 CG2 VAL 71 13.691 -45.091 8.137 1.00 4.31 ATOM 1185 HG21 VAL 71 12.798 -44.871 7.568 1.00 60.22 ATOM 1186 HG22 VAL 71 13.488 -45.904 8.820 1.00 12.53 ATOM 1187 HG23 VAL 71 14.485 -45.377 7.462 1.00 73.41 ATOM 1188 C VAL 71 13.448 -42.188 10.699 1.00 42.11 ATOM 1189 O VAL 71 13.598 -42.281 11.918 1.00 23.42 ATOM 1190 N LEU 72 13.660 -41.052 10.035 1.00 72.40 ATOM 1191 HN LEU 72 13.458 -41.017 9.077 1.00 37.29 ATOM 1192 CA LEU 72 14.182 -39.849 10.700 1.00 4.11 ATOM 1193 HA LEU 72 15.115 -40.127 11.170 1.00 33.33 ATOM 1194 CB LEU 72 14.473 -38.739 9.671 1.00 34.34 ATOM 1195 HB1 LEU 72 14.429 -37.784 10.178 1.00 37.29 ATOM 1196 HB2 LEU 72 13.692 -38.759 8.923 1.00 33.11 ATOM 1197 CG LEU 72 15.834 -38.834 8.954 1.00 4.41 ATOM 1198 HG LEU 72 15.932 -37.995 8.277 1.00 12.34 ATOM 1199 CD1 LEU 72 16.980 -38.750 9.959 1.00 1.15 ATOM 1200 HD11 LEU 72 16.943 -37.798 10.469 1.00 63.22 ATOM 1201 HD12 LEU 72 17.923 -38.841 9.440 1.00 61.31 ATOM 1202 HD13 LEU 72 16.889 -39.550 10.683 1.00 1.43 ATOM 1203 CD2 LEU 72 15.936 -40.115 8.130 1.00 32.14 ATOM 1204 HD21 LEU 72 15.139 -40.139 7.402 1.00 11.31 ATOM 1205 HD22 LEU 72 15.854 -40.973 8.781 1.00 30.01 ATOM 1206 HD23 LEU 72 16.889 -40.141 7.620 1.00 52.45 ATOM 1207 C LEU 72 13.237 -39.324 11.798 1.00 2.45 ATOM 1208 O LEU 72 13.671 -39.059 12.919 1.00 64.35 ATOM 1209 N VAL 73 11.953 -39.168 11.483 1.00 74.20 ATOM 1210 HN VAL 73 11.647 -39.402 10.579 1.00 37.29 ATOM 1211 CA VAL 73 10.986 -38.652 12.463 1.00 44.44 ATOM 1212 HA VAL 73 11.333 -37.676 12.776 1.00 63.13 ATOM 1213 CB VAL 73 9.577 -38.481 11.840 1.00 75.14 ATOM 1214 HB VAL 73 9.259 -39.439 11.449 1.00 43.22 ATOM 1215 CG1 VAL 73 8.557 -38.032 12.887 1.00 12.42 ATOM 1216 HG11 VAL 73 8.507 -38.763 13.682 1.00 32.22 ATOM 1217 HG12 VAL 73 7.584 -37.938 12.426 1.00 24.04 ATOM 1218 HG13 VAL 73 8.853 -37.077 13.298 1.00 25.22 ATOM 1219 CG2 VAL 73 9.625 -37.488 10.680 1.00 54.41 ATOM 1220 HG21 VAL 73 10.311 -37.846 9.925 1.00 71.43 ATOM 1221 HG22 VAL 73 9.959 -36.526 11.040 1.00 52.43 ATOM 1222 HG23 VAL 73 8.638 -37.387 10.249 1.00 64.04 ATOM 1223 C VAL 73 10.897 -39.557 13.706 1.00 62.01 ATOM 1224 O VAL 73 10.918 -39.076 14.845 1.00 11.54 ATOM 1225 N THR 74 10.816 -40.868 13.486 1.00 1.31 ATOM 1226 HN THR 74 10.818 -41.196 12.562 1.00 37.29 ATOM 1227 CA THR 74 10.724 -41.836 14.590 1.00 50.22 ATOM 1228 HA THR 74 9.889 -41.542 15.213 1.00 63.00 ATOM 1229 CB THR 74 10.454 -43.273 14.078 1.00 75.12 ATOM 1230 HB THR 74 10.399 -43.935 14.931 1.00 31.32 ATOM 1231 OG1 THR 74 11.521 -43.711 13.221 1.00 73.02 ATOM 1232 HG1 THR 74 11.391 -43.355 12.335 1.00 74.12 ATOM 1233 CG2 THR 74 9.128 -43.348 13.327 1.00 45.31 ATOM 1234 HG21 THR 74 8.967 -44.358 12.977 1.00 11.03 ATOM 1235 HG22 THR 74 9.152 -42.675 12.482 1.00 31.43 ATOM 1236 HG23 THR 74 8.322 -43.066 13.988 1.00 41.12 ATOM 1237 C THR 74 11.995 -41.849 15.453 1.00 64.11 ATOM 1238 O THR 74 11.919 -41.823 16.684 1.00 64.34 ATOM 1239 N GLU 75 13.166 -41.871 14.809 1.00 12.10 ATOM 1240 HN GLU 75 13.171 -41.878 13.826 1.00 37.29 ATOM 1241 CA GLU 75 14.446 -41.907 15.536 1.00 70.03 ATOM 1242 HA GLU 75 14.358 -42.682 16.287 1.00 73.42 ATOM 1243 CB GLU 75 15.605 -42.285 14.587 1.00 75.44 ATOM 1244 HB1 GLU 75 15.340 -43.201 14.077 1.00 37.29 ATOM 1245 HB2 GLU 75 16.489 -42.469 15.180 1.00 31.10 ATOM 1246 CG GLU 75 15.954 -41.237 13.524 1.00 70.24 ATOM 1247 HG1 GLU 75 15.110 -40.572 13.405 1.00 37.29 ATOM 1248 HG2 GLU 75 16.139 -41.741 12.587 1.00 45.31 ATOM 1249 CD GLU 75 17.183 -40.410 13.871 1.00 63.45 ATOM 1250 OE1 GLU 75 17.099 -39.165 13.873 1.00 74.24 ATOM 1251 OE2 GLU 75 18.242 -41.005 14.153 1.00 24.24 ATOM 1252 C GLU 75 14.732 -40.578 16.265 1.00 62.33 ATOM 1253 O GLU 75 15.628 -40.505 17.110 1.00 51.25 ATOM 1254 N LYS 76 13.975 -39.527 15.929 1.00 14.33 ATOM 1255 HN LYS 76 13.390 -39.594 15.143 1.00 37.29 ATOM 1256 CA LYS 76 14.022 -38.264 16.684 1.00 75.32 ATOM 1257 HA LYS 76 15.030 -38.140 17.056 1.00 14.43 ATOM 1258 CB LYS 76 13.679 -37.068 15.779 1.00 24.42 ATOM 1259 HB1 LYS 76 13.556 -36.187 16.396 1.00 37.29 ATOM 1260 HB2 LYS 76 12.744 -37.272 15.277 1.00 14.45 ATOM 1261 CG LYS 76 14.729 -36.760 14.714 1.00 72.44 ATOM 1262 HG1 LYS 76 14.396 -35.914 14.128 1.00 37.29 ATOM 1263 HG2 LYS 76 14.836 -37.622 14.070 1.00 65.53 ATOM 1264 CD LYS 76 16.092 -36.433 15.329 1.00 34.31 ATOM 1265 HD1 LYS 76 16.475 -37.317 15.821 1.00 37.29 ATOM 1266 HD2 LYS 76 15.972 -35.639 16.054 1.00 30.41 ATOM 1267 CE LYS 76 17.093 -35.985 14.269 1.00 11.45 ATOM 1268 HE1 LYS 76 16.717 -35.093 13.793 1.00 37.29 ATOM 1269 HE2 LYS 76 17.194 -36.768 13.533 1.00 34.00 ATOM 1270 NZ LYS 76 18.433 -35.696 14.846 1.00 51.31 ATOM 1271 HZ1 LYS 76 18.871 -36.571 15.197 1.00 43.33 ATOM 1272 HZ2 LYS 76 18.347 -35.027 15.635 1.00 12.15 ATOM 1273 HZ3 LYS 76 19.055 -35.277 14.122 1.00 54.23 ATOM 1274 C LYS 76 13.061 -38.290 17.889 1.00 42.41 ATOM 1275 O LYS 76 13.253 -37.556 18.860 1.00 53.42 ATOM 1276 N GLY 77 12.030 -39.136 17.824 1.00 41.22 ATOM 1277 HN GLY 77 11.923 -39.702 17.029 1.00 37.29 ATOM 1278 CA GLY 77 11.075 -39.242 18.933 1.00 4.45 ATOM 1279 HA1 GLY 77 11.150 -38.351 19.542 1.00 37.29 ATOM 1280 HA2 GLY 77 11.347 -40.093 19.537 1.00 34.01 ATOM 1281 C GLY 77 9.620 -39.407 18.494 1.00 52.25 ATOM 1282 O GLY 77 8.742 -39.655 19.323 1.00 42.12 ATOM 1283 N GLY 78 9.354 -39.259 17.199 1.00 11.53 ATOM 1284 HN GLY 78 10.084 -39.043 16.584 1.00 37.29 ATOM 1285 CA GLY 78 7.993 -39.398 16.683 1.00 11.12 ATOM 1286 HA1 GLY 78 7.376 -39.877 17.431 1.00 37.29 ATOM 1287 HA2 GLY 78 8.023 -40.028 15.805 1.00 63.05 ATOM 1288 C GLY 78 7.361 -38.064 16.304 1.00 0.44 ATOM 1289 O GLY 78 7.851 -37.005 16.703 1.00 23.43 ATOM 1290 N LEU 79 6.261 -38.118 15.547 1.00 73.25 ATOM 1291 HN LEU 79 5.885 -39.001 15.321 1.00 37.29 ATOM 1292 CA LEU 79 5.590 -36.912 15.032 1.00 11.11 ATOM 1293 HA LEU 79 6.195 -36.524 14.224 1.00 63.52 ATOM 1294 CB LEU 79 4.205 -37.281 14.476 1.00 40.43 ATOM 1295 HB1 LEU 79 3.645 -37.765 15.263 1.00 37.29 ATOM 1296 HB2 LEU 79 4.344 -37.991 13.672 1.00 4.44 ATOM 1297 CG LEU 79 3.364 -36.105 13.939 1.00 41.41 ATOM 1298 HG LEU 79 3.189 -35.403 14.745 1.00 64.32 ATOM 1299 CD1 LEU 79 4.105 -35.360 12.829 1.00 31.21 ATOM 1300 HD11 LEU 79 5.035 -34.968 13.215 1.00 22.23 ATOM 1301 HD12 LEU 79 3.494 -34.544 12.471 1.00 50.44 ATOM 1302 HD13 LEU 79 4.313 -36.038 12.013 1.00 10.43 ATOM 1303 CD2 LEU 79 2.003 -36.598 13.442 1.00 1.20 ATOM 1304 HD21 LEU 79 1.482 -37.095 14.249 1.00 24.55 ATOM 1305 HD22 LEU 79 2.144 -37.292 12.625 1.00 43.41 ATOM 1306 HD23 LEU 79 1.417 -35.757 13.101 1.00 74.43 ATOM 1307 C LEU 79 5.444 -35.819 16.104 1.00 75.31 ATOM 1308 O LEU 79 5.940 -34.701 15.937 1.00 34.43 ATOM 1309 N VAL 80 4.777 -36.154 17.206 1.00 12.00 ATOM 1310 HN VAL 80 4.450 -37.074 17.302 1.00 37.29 ATOM 1311 CA VAL 80 4.517 -35.185 18.280 1.00 43.44 ATOM 1312 HA VAL 80 3.893 -34.404 17.869 1.00 61.03 ATOM 1313 CB VAL 80 3.752 -35.838 19.460 1.00 70.31 ATOM 1314 HB VAL 80 4.375 -36.618 19.877 1.00 43.01 ATOM 1315 CG1 VAL 80 3.468 -34.816 20.563 1.00 52.21 ATOM 1316 HG11 VAL 80 2.837 -34.030 20.175 1.00 33.20 ATOM 1317 HG12 VAL 80 4.398 -34.391 20.913 1.00 22.34 ATOM 1318 HG13 VAL 80 2.966 -35.305 21.387 1.00 42.02 ATOM 1319 CG2 VAL 80 2.458 -36.475 18.967 1.00 3.11 ATOM 1320 HG21 VAL 80 2.686 -37.243 18.243 1.00 12.34 ATOM 1321 HG22 VAL 80 1.838 -35.720 18.507 1.00 33.45 ATOM 1322 HG23 VAL 80 1.930 -36.913 19.803 1.00 25.52 ATOM 1323 C VAL 80 5.810 -34.549 18.812 1.00 43.33 ATOM 1324 O VAL 80 5.920 -33.326 18.882 1.00 24.15 ATOM 1325 N GLU 81 6.792 -35.376 19.168 1.00 72.34 ATOM 1326 HN GLU 81 6.682 -36.341 19.030 1.00 37.29 ATOM 1327 CA GLU 81 8.040 -34.872 19.752 1.00 61.45 ATOM 1328 HA GLU 81 7.777 -34.275 20.615 1.00 12.43 ATOM 1329 CB GLU 81 8.933 -36.035 20.209 1.00 62.34 ATOM 1330 HB1 GLU 81 9.356 -36.515 19.337 1.00 37.29 ATOM 1331 HB2 GLU 81 8.323 -36.753 20.741 1.00 32.22 ATOM 1332 CG GLU 81 10.079 -35.606 21.127 1.00 13.12 ATOM 1333 HG1 GLU 81 10.588 -34.764 20.679 1.00 37.29 ATOM 1334 HG2 GLU 81 10.773 -36.429 21.221 1.00 53.53 ATOM 1335 CD GLU 81 9.601 -35.203 22.519 1.00 34.53 ATOM 1336 OE1 GLU 81 9.879 -35.943 23.486 1.00 21.42 ATOM 1337 OE2 GLU 81 8.929 -34.156 22.653 1.00 1.15 ATOM 1338 C GLU 81 8.804 -33.978 18.759 1.00 64.20 ATOM 1339 O GLU 81 9.386 -32.958 19.139 1.00 62.35 ATOM 1340 N VAL 82 8.791 -34.360 17.484 1.00 13.30 ATOM 1341 HN VAL 82 8.349 -35.203 17.243 1.00 37.29 ATOM 1342 CA VAL 82 9.424 -33.556 16.436 1.00 14.32 ATOM 1343 HA VAL 82 10.458 -33.406 16.723 1.00 0.34 ATOM 1344 CB VAL 82 9.401 -34.283 15.066 1.00 73.52 ATOM 1345 HB VAL 82 8.370 -34.492 14.811 1.00 70.31 ATOM 1346 CG1 VAL 82 9.998 -33.413 13.959 1.00 72.02 ATOM 1347 HG11 VAL 82 9.419 -32.506 13.859 1.00 34.34 ATOM 1348 HG12 VAL 82 9.977 -33.955 13.024 1.00 70.13 ATOM 1349 HG13 VAL 82 11.020 -33.162 14.204 1.00 73.43 ATOM 1350 CG2 VAL 82 10.147 -35.613 15.153 1.00 35.12 ATOM 1351 HG21 VAL 82 9.672 -36.246 15.889 1.00 4.35 ATOM 1352 HG22 VAL 82 11.173 -35.436 15.439 1.00 62.32 ATOM 1353 HG23 VAL 82 10.123 -36.103 14.189 1.00 54.24 ATOM 1354 C VAL 82 8.745 -32.180 16.314 1.00 2.11 ATOM 1355 O VAL 82 9.410 -31.160 16.115 1.00 72.33 ATOM 1356 N ILE 83 7.418 -32.158 16.454 1.00 33.22 ATOM 1357 HN ILE 83 6.936 -33.009 16.551 1.00 37.29 ATOM 1358 CA ILE 83 6.660 -30.904 16.466 1.00 12.15 ATOM 1359 HA ILE 83 6.953 -30.328 15.596 1.00 24.34 ATOM 1360 CB ILE 83 5.133 -31.170 16.384 1.00 73.12 ATOM 1361 HB ILE 83 4.847 -31.747 17.253 1.00 0.33 ATOM 1362 CG1 ILE 83 4.790 -31.975 15.117 1.00 62.14 ATOM 1363 HG11 ILE 83 5.383 -32.878 15.102 1.00 37.29 ATOM 1364 HG12 ILE 83 5.026 -31.384 14.245 1.00 61.42 ATOM 1365 CG2 ILE 83 4.351 -29.857 16.410 1.00 55.41 ATOM 1366 HG21 ILE 83 4.628 -29.254 15.558 1.00 20.22 ATOM 1367 HG22 ILE 83 4.579 -29.318 17.319 1.00 63.23 ATOM 1368 HG23 ILE 83 3.291 -30.065 16.375 1.00 41.45 ATOM 1369 CD1 ILE 83 3.331 -32.378 15.023 1.00 21.11 ATOM 1370 HD11 ILE 83 3.176 -32.957 14.124 1.00 53.21 ATOM 1371 HD12 ILE 83 2.713 -31.493 14.992 1.00 65.53 ATOM 1372 HD13 ILE 83 3.065 -32.974 15.884 1.00 52.10 ATOM 1373 C ILE 83 6.975 -30.087 17.736 1.00 73.21 ATOM 1374 O ILE 83 7.071 -28.858 17.692 1.00 40.23 ATOM 1375 N ASN 84 7.140 -30.787 18.863 1.00 53.31 ATOM 1376 HN ASN 84 6.996 -31.758 18.839 1.00 37.29 ATOM 1377 CA ASN 84 7.510 -30.154 20.140 1.00 55.15 ATOM 1378 HA ASN 84 6.750 -29.425 20.379 1.00 4.22 ATOM 1379 CB ASN 84 7.566 -31.200 21.263 1.00 41.11 ATOM 1380 HB1 ASN 84 7.973 -30.739 22.155 1.00 37.29 ATOM 1381 HB2 ASN 84 8.214 -32.009 20.960 1.00 12.44 ATOM 1382 CG ASN 84 6.208 -31.778 21.608 1.00 4.50 ATOM 1383 OD1 ASN 84 5.189 -31.101 21.527 1.00 23.44 ATOM 1384 ND2 ASN 84 6.183 -33.033 22.005 1.00 15.22 ATOM 1385 HD21 ASN 84 7.033 -33.518 22.056 1.00 55.21 ATOM 1386 HD22 ASN 84 5.318 -33.426 22.233 1.00 31.10 ATOM 1387 C ASN 84 8.870 -29.443 20.052 1.00 71.41 ATOM 1388 O ASN 84 9.028 -28.325 20.545 1.00 61.34 ATOM 1389 N LYS 85 9.854 -30.102 19.437 1.00 51.13 ATOM 1390 HN LYS 85 9.666 -30.984 19.049 1.00 37.29 ATOM 1391 CA LYS 85 11.214 -29.549 19.341 1.00 1.54 ATOM 1392 HA LYS 85 11.337 -28.850 20.157 1.00 32.31 ATOM 1393 CB LYS 85 12.253 -30.669 19.507 1.00 42.43 ATOM 1394 HB1 LYS 85 13.241 -30.231 19.523 1.00 37.29 ATOM 1395 HB2 LYS 85 12.180 -31.338 18.663 1.00 71.33 ATOM 1396 CG LYS 85 12.066 -31.488 20.783 1.00 74.24 ATOM 1397 HG1 LYS 85 11.185 -32.104 20.670 1.00 37.29 ATOM 1398 HG2 LYS 85 11.924 -30.813 21.614 1.00 14.30 ATOM 1399 CD LYS 85 13.264 -32.387 21.080 1.00 62.24 ATOM 1400 HD1 LYS 85 13.467 -32.999 20.212 1.00 37.29 ATOM 1401 HD2 LYS 85 13.023 -33.023 21.919 1.00 52.15 ATOM 1402 CE LYS 85 14.514 -31.578 21.419 1.00 23.14 ATOM 1403 HE1 LYS 85 14.270 -30.872 22.201 1.00 37.29 ATOM 1404 HE2 LYS 85 14.834 -31.040 20.538 1.00 41.35 ATOM 1405 NZ LYS 85 15.627 -32.445 21.884 1.00 62.23 ATOM 1406 HZ1 LYS 85 16.455 -31.866 22.130 1.00 50.41 ATOM 1407 HZ2 LYS 85 15.897 -33.115 21.137 1.00 4.24 ATOM 1408 HZ3 LYS 85 15.333 -32.983 22.723 1.00 30.21 ATOM 1409 C LYS 85 11.448 -28.787 18.021 1.00 43.43 ATOM 1410 O LYS 85 12.510 -28.195 17.823 1.00 74.10 ATOM 1411 N LYS 86 10.455 -28.813 17.124 1.00 42.33 ATOM 1412 HN LYS 86 9.664 -29.357 17.319 1.00 37.29 ATOM 1413 CA LYS 86 10.497 -28.060 15.849 1.00 11.10 ATOM 1414 HA LYS 86 9.598 -28.309 15.304 1.00 34.31 ATOM 1415 CB LYS 86 10.507 -26.533 16.098 1.00 4.51 ATOM 1416 HB1 LYS 86 10.642 -26.031 15.149 1.00 37.29 ATOM 1417 HB2 LYS 86 11.347 -26.294 16.734 1.00 23.33 ATOM 1418 CG LYS 86 9.244 -25.970 16.755 1.00 64.02 ATOM 1419 HG1 LYS 86 8.378 -26.429 16.297 1.00 37.29 ATOM 1420 HG2 LYS 86 9.212 -24.903 16.590 1.00 14.41 ATOM 1421 CD LYS 86 9.207 -26.235 18.259 1.00 25.54 ATOM 1422 HD1 LYS 86 10.106 -25.832 18.707 1.00 37.29 ATOM 1423 HD2 LYS 86 9.171 -27.302 18.426 1.00 12.44 ATOM 1424 CE LYS 86 7.995 -25.591 18.925 1.00 63.13 ATOM 1425 HE1 LYS 86 8.021 -25.809 19.983 1.00 37.29 ATOM 1426 HE2 LYS 86 7.098 -26.012 18.495 1.00 54.30 ATOM 1427 NZ LYS 86 7.973 -24.115 18.735 1.00 42.21 ATOM 1428 HZ1 LYS 86 7.203 -23.690 19.292 1.00 42.12 ATOM 1429 HZ2 LYS 86 7.823 -23.883 17.734 1.00 24.25 ATOM 1430 HZ3 LYS 86 8.875 -23.702 19.043 1.00 40.12 ATOM 1431 C LYS 86 11.710 -28.430 14.967 1.00 43.15 ATOM 1432 O LYS 86 12.016 -27.724 14.006 1.00 41.22 ATOM 1433 N LEU 87 12.371 -29.550 15.254 1.00 14.45 ATOM 1434 HN LEU 87 12.008 -30.159 15.927 1.00 37.29 ATOM 1435 CA LEU 87 13.636 -29.888 14.574 1.00 64.15 ATOM 1436 HA LEU 87 14.156 -28.955 14.396 1.00 34.53 ATOM 1437 CB LEU 87 14.528 -30.767 15.484 1.00 3.45 ATOM 1438 HB1 LEU 87 14.511 -30.341 16.478 1.00 37.29 ATOM 1439 HB2 LEU 87 15.543 -30.703 15.112 1.00 24.14 ATOM 1440 CG LEU 87 14.162 -32.262 15.597 1.00 12.43 ATOM 1441 HG LEU 87 14.240 -32.714 14.617 1.00 54.11 ATOM 1442 CD1 LEU 87 15.143 -32.984 16.517 1.00 15.15 ATOM 1443 HD11 LEU 87 14.896 -34.036 16.553 1.00 73.00 ATOM 1444 HD12 LEU 87 15.081 -32.567 17.511 1.00 40.45 ATOM 1445 HD13 LEU 87 16.149 -32.866 16.139 1.00 24.14 ATOM 1446 CD2 LEU 87 12.732 -32.458 16.090 1.00 4.10 ATOM 1447 HD21 LEU 87 12.044 -32.017 15.384 1.00 65.30 ATOM 1448 HD22 LEU 87 12.612 -31.987 17.052 1.00 10.12 ATOM 1449 HD23 LEU 87 12.523 -33.515 16.178 1.00 13.45 ATOM 1450 C LEU 87 13.411 -30.567 13.203 1.00 74.43 ATOM 1451 O LEU 87 14.216 -31.391 12.769 1.00 31.35 ATOM 1452 N TRP 88 12.344 -30.182 12.499 1.00 74.31 ATOM 1453 HN TRP 88 11.739 -29.515 12.881 1.00 37.29 ATOM 1454 CA TRP 88 12.048 -30.732 11.163 1.00 3.44 ATOM 1455 HA TRP 88 11.897 -31.797 11.279 1.00 73.14 ATOM 1456 CB TRP 88 10.760 -30.118 10.598 1.00 54.10 ATOM 1457 HB1 TRP 88 10.696 -30.341 9.541 1.00 37.29 ATOM 1458 HB2 TRP 88 10.794 -29.046 10.729 1.00 42.52 ATOM 1459 CG TRP 88 9.507 -30.626 11.254 1.00 65.22 ATOM 1460 CD1 TRP 88 8.788 -30.024 12.250 1.00 23.51 ATOM 1461 HD1 TRP 88 9.047 -29.076 12.702 1.00 51.41 ATOM 1462 CD2 TRP 88 8.823 -31.847 10.946 1.00 45.13 ATOM 1463 NE1 TRP 88 7.707 -30.802 12.584 1.00 75.14 ATOM 1464 HE1 TRP 88 7.044 -30.588 13.271 1.00 21.22 ATOM 1465 CE2 TRP 88 7.706 -31.925 11.796 1.00 11.31 ATOM 1466 CE3 TRP 88 9.050 -32.885 10.033 1.00 31.30 ATOM 1467 HE3 TRP 88 9.898 -32.865 9.364 1.00 52.44 ATOM 1468 CZ2 TRP 88 6.816 -32.997 11.761 1.00 1.44 ATOM 1469 HZ2 TRP 88 5.961 -33.050 12.416 1.00 3.51 ATOM 1470 CZ3 TRP 88 8.166 -33.947 10.000 1.00 11.41 ATOM 1471 HZ3 TRP 88 8.324 -34.756 9.301 1.00 32.12 ATOM 1472 CH2 TRP 88 7.061 -33.996 10.858 1.00 5.24 ATOM 1473 HH2 TRP 88 6.396 -34.844 10.796 1.00 4.25 ATOM 1474 C TRP 88 13.207 -30.519 10.173 1.00 21.30 ATOM 1475 O TRP 88 13.352 -31.270 9.212 1.00 41.13 ATOM 1476 N ARG 89 14.027 -29.496 10.409 1.00 11.15 ATOM 1477 HN ARG 89 13.813 -28.875 11.137 1.00 37.29 ATOM 1478 CA ARG 89 15.232 -29.263 9.595 1.00 45.25 ATOM 1479 HA ARG 89 14.913 -29.117 8.571 1.00 30.13 ATOM 1480 CB ARG 89 15.954 -27.998 10.073 1.00 42.34 ATOM 1481 HB1 ARG 89 15.291 -27.153 9.952 1.00 37.29 ATOM 1482 HB2 ARG 89 16.832 -27.845 9.460 1.00 32.21 ATOM 1483 CG ARG 89 16.392 -28.060 11.531 1.00 21.44 ATOM 1484 HG1 ARG 89 17.153 -28.821 11.635 1.00 37.29 ATOM 1485 HG2 ARG 89 15.538 -28.321 12.141 1.00 24.14 ATOM 1486 CD ARG 89 16.952 -26.729 12.014 1.00 74.32 ATOM 1487 HD1 ARG 89 16.184 -25.973 11.923 1.00 37.29 ATOM 1488 HD2 ARG 89 17.796 -26.459 11.394 1.00 73.01 ATOM 1489 NE ARG 89 17.391 -26.801 13.405 1.00 65.52 ATOM 1490 HE ARG 89 18.199 -27.317 13.593 1.00 3.15 ATOM 1491 CZ ARG 89 16.772 -26.238 14.405 1.00 63.11 ATOM 1492 NH1 ARG 89 15.713 -25.518 14.205 1.00 61.21 ATOM 1493 HH11 ARG 89 15.367 -25.389 13.280 1.00 54.50 ATOM 1494 HH12 ARG 89 15.236 -25.102 14.980 1.00 44.23 ATOM 1495 NH2 ARG 89 17.225 -26.390 15.606 1.00 0.02 ATOM 1496 HH21 ARG 89 18.044 -26.940 15.762 1.00 32.11 ATOM 1497 HH22 ARG 89 16.754 -25.958 16.375 1.00 63.54 ATOM 1498 C ARG 89 16.184 -30.475 9.647 1.00 70.33 ATOM 1499 O ARG 89 16.899 -30.761 8.687 1.00 71.45 ATOM 1500 N GLU 90 16.183 -31.178 10.783 1.00 34.34 ATOM 1501 HN GLU 90 15.667 -30.841 11.545 1.00 37.29 ATOM 1502 CA GLU 90 16.920 -32.440 10.926 1.00 15.21 ATOM 1503 HA GLU 90 17.960 -32.255 10.693 1.00 74.13 ATOM 1504 CB GLU 90 16.807 -32.961 12.366 1.00 64.12 ATOM 1505 HB1 GLU 90 17.120 -33.996 12.386 1.00 37.29 ATOM 1506 HB2 GLU 90 15.773 -32.906 12.676 1.00 41.35 ATOM 1507 CG GLU 90 17.645 -32.195 13.381 1.00 45.51 ATOM 1508 HG1 GLU 90 17.362 -32.508 14.376 1.00 37.29 ATOM 1509 HG2 GLU 90 17.451 -31.137 13.269 1.00 2.41 ATOM 1510 CD GLU 90 19.131 -32.447 13.197 1.00 23.32 ATOM 1511 OE1 GLU 90 19.558 -33.616 13.347 1.00 62.33 ATOM 1512 OE2 GLU 90 19.876 -31.487 12.917 1.00 5.00 ATOM 1513 C GLU 90 16.369 -33.497 9.963 1.00 22.30 ATOM 1514 O GLU 90 17.119 -34.290 9.389 1.00 25.33 ATOM 1515 N ILE 91 15.049 -33.490 9.800 1.00 73.45 ATOM 1516 HN ILE 91 14.518 -32.820 10.280 1.00 37.29 ATOM 1517 CA ILE 91 14.365 -34.435 8.919 1.00 45.03 ATOM 1518 HA ILE 91 14.742 -35.426 9.135 1.00 2.15 ATOM 1519 CB ILE 91 12.833 -34.427 9.170 1.00 33.45 ATOM 1520 HB ILE 91 12.434 -33.493 8.797 1.00 25.24 ATOM 1521 CG1 ILE 91 12.526 -34.531 10.678 1.00 60.22 ATOM 1522 HG11 ILE 91 11.454 -34.566 10.818 1.00 37.29 ATOM 1523 HG12 ILE 91 12.917 -33.657 11.180 1.00 24.54 ATOM 1524 CG2 ILE 91 12.158 -35.563 8.403 1.00 71.01 ATOM 1525 HG21 ILE 91 12.565 -36.511 8.730 1.00 24.12 ATOM 1526 HG22 ILE 91 12.337 -35.441 7.345 1.00 1.31 ATOM 1527 HG23 ILE 91 11.094 -35.545 8.591 1.00 50.52 ATOM 1528 CD1 ILE 91 13.122 -35.749 11.352 1.00 51.10 ATOM 1529 HD11 ILE 91 12.833 -35.758 12.393 1.00 13.22 ATOM 1530 HD12 ILE 91 14.198 -35.713 11.278 1.00 0.12 ATOM 1531 HD13 ILE 91 12.757 -36.645 10.870 1.00 64.25 ATOM 1532 C ILE 91 14.645 -34.103 7.444 1.00 24.34 ATOM 1533 O ILE 91 15.024 -34.975 6.660 1.00 11.42 ATOM 1534 N THR 92 14.473 -32.829 7.079 1.00 53.20 ATOM 1535 HN THR 92 14.150 -32.184 7.745 1.00 37.29 ATOM 1536 CA THR 92 14.758 -32.360 5.713 1.00 41.41 ATOM 1537 HA THR 92 14.100 -32.890 5.036 1.00 44.55 ATOM 1538 CB THR 92 14.505 -30.839 5.546 1.00 33.12 ATOM 1539 HB THR 92 14.854 -30.540 4.566 1.00 24.33 ATOM 1540 OG1 THR 92 15.239 -30.103 6.533 1.00 43.50 ATOM 1541 HG1 THR 92 16.017 -29.707 6.127 1.00 70.02 ATOM 1542 CG2 THR 92 13.023 -30.502 5.649 1.00 74.12 ATOM 1543 HG21 THR 92 12.648 -30.801 6.617 1.00 21.43 ATOM 1544 HG22 THR 92 12.480 -31.026 4.875 1.00 72.32 ATOM 1545 HG23 THR 92 12.885 -29.438 5.522 1.00 71.30 ATOM 1546 C THR 92 16.207 -32.647 5.316 1.00 42.40 ATOM 1547 O THR 92 16.468 -33.194 4.245 1.00 2.54 ATOM 1548 N LYS 93 17.148 -32.284 6.188 1.00 54.22 ATOM 1549 HN LYS 93 16.877 -31.857 7.032 1.00 37.29 ATOM 1550 CA LYS 93 18.574 -32.495 5.913 1.00 44.41 ATOM 1551 HA LYS 93 18.810 -31.962 5.002 1.00 45.44 ATOM 1552 CB LYS 93 19.432 -31.932 7.060 1.00 64.04 ATOM 1553 HB1 LYS 93 19.427 -32.638 7.879 1.00 37.29 ATOM 1554 HB2 LYS 93 18.994 -31.004 7.399 1.00 65.44 ATOM 1555 CG LYS 93 20.886 -31.660 6.673 1.00 62.13 ATOM 1556 HG1 LYS 93 21.330 -32.575 6.307 1.00 37.29 ATOM 1557 HG2 LYS 93 21.424 -31.322 7.548 1.00 2.44 ATOM 1558 CD LYS 93 20.985 -30.587 5.585 1.00 4.43 ATOM 1559 HD1 LYS 93 20.494 -29.689 5.937 1.00 37.29 ATOM 1560 HD2 LYS 93 20.484 -30.943 4.697 1.00 72.44 ATOM 1561 CE LYS 93 22.431 -30.252 5.227 1.00 40.02 ATOM 1562 HE1 LYS 93 22.940 -29.913 6.119 1.00 37.29 ATOM 1563 HE2 LYS 93 22.431 -29.458 4.494 1.00 50.05 ATOM 1564 NZ LYS 93 23.161 -31.423 4.668 1.00 5.50 ATOM 1565 HZ1 LYS 93 23.287 -32.152 5.398 1.00 0.34 ATOM 1566 HZ2 LYS 93 24.096 -31.130 4.322 1.00 74.24 ATOM 1567 HZ3 LYS 93 22.630 -31.834 3.872 1.00 23.23 ATOM 1568 C LYS 93 18.879 -33.989 5.700 1.00 1.20 ATOM 1569 O LYS 93 19.714 -34.349 4.865 1.00 22.01 ATOM 1570 N GLY 94 18.182 -34.852 6.445 1.00 51.30 ATOM 1571 HN GLY 94 17.572 -34.507 7.133 1.00 37.29 ATOM 1572 CA GLY 94 18.319 -36.296 6.265 1.00 5.10 ATOM 1573 HA1 GLY 94 17.793 -36.797 7.064 1.00 37.29 ATOM 1574 HA2 GLY 94 19.366 -36.558 6.322 1.00 61.11 ATOM 1575 C GLY 94 17.759 -36.785 4.929 1.00 34.30 ATOM 1576 O GLY 94 18.106 -37.869 4.455 1.00 60.22 ATOM 1577 N LEU 95 16.879 -35.984 4.329 1.00 63.21 ATOM 1578 HN LEU 95 16.580 -35.174 4.796 1.00 37.29 ATOM 1579 CA LEU 95 16.329 -36.273 3.001 1.00 31.14 ATOM 1580 HA LEU 95 16.464 -37.328 2.799 1.00 61.33 ATOM 1581 CB LEU 95 14.827 -35.940 2.968 1.00 62.41 ATOM 1582 HB1 LEU 95 14.428 -36.270 2.019 1.00 37.29 ATOM 1583 HB2 LEU 95 14.718 -34.866 3.028 1.00 52.01 ATOM 1584 CG LEU 95 13.982 -36.571 4.089 1.00 23.23 ATOM 1585 HG LEU 95 14.340 -36.210 5.043 1.00 75.52 ATOM 1586 CD1 LEU 95 12.521 -36.159 3.960 1.00 14.43 ATOM 1587 HD11 LEU 95 11.951 -36.592 4.769 1.00 42.52 ATOM 1588 HD12 LEU 95 12.127 -36.507 3.016 1.00 55.34 ATOM 1589 HD13 LEU 95 12.447 -35.082 4.005 1.00 34.52 ATOM 1590 CD2 LEU 95 14.116 -38.090 4.084 1.00 60.10 ATOM 1591 HD21 LEU 95 13.543 -38.503 4.902 1.00 30.25 ATOM 1592 HD22 LEU 95 15.155 -38.359 4.204 1.00 52.43 ATOM 1593 HD23 LEU 95 13.747 -38.485 3.149 1.00 53.22 ATOM 1594 C LEU 95 17.070 -35.462 1.923 1.00 2.33 ATOM 1595 O LEU 95 16.630 -35.386 0.774 1.00 61.24 ATOM 1596 N ASN 96 18.197 -34.854 2.314 1.00 71.41 ATOM 1597 HN ASN 96 18.488 -34.961 3.245 1.00 37.29 ATOM 1598 CA ASN 96 19.022 -34.034 1.410 1.00 33.52 ATOM 1599 HA ASN 96 19.880 -33.703 1.976 1.00 21.42 ATOM 1600 CB ASN 96 19.511 -34.887 0.224 1.00 14.35 ATOM 1601 HB1 ASN 96 18.682 -35.057 -0.450 1.00 37.29 ATOM 1602 HB2 ASN 96 19.859 -35.838 0.597 1.00 51.44 ATOM 1603 CG ASN 96 20.646 -34.243 -0.559 1.00 13.22 ATOM 1604 OD1 ASN 96 20.762 -34.425 -1.768 1.00 21.21 ATOM 1605 ND2 ASN 96 21.508 -33.505 0.118 1.00 41.21 ATOM 1606 HD21 ASN 96 21.383 -33.407 1.083 1.00 40.23 ATOM 1607 HD22 ASN 96 22.242 -33.087 -0.376 1.00 24.51 ATOM 1608 C ASN 96 18.253 -32.785 0.924 1.00 72.20 ATOM 1609 O ASN 96 18.558 -32.211 -0.124 1.00 3.30 ATOM 1610 N LEU 97 17.269 -32.361 1.716 1.00 14.15 ATOM 1611 HN LEU 97 17.075 -32.863 2.533 1.00 37.29 ATOM 1612 CA LEU 97 16.467 -31.169 1.414 1.00 15.34 ATOM 1613 HA LEU 97 16.459 -31.029 0.341 1.00 63.44 ATOM 1614 CB LEU 97 15.022 -31.366 1.903 1.00 10.33 ATOM 1615 HB1 LEU 97 14.432 -30.523 1.568 1.00 37.29 ATOM 1616 HB2 LEU 97 15.030 -31.366 2.984 1.00 21.02 ATOM 1617 CG LEU 97 14.328 -32.652 1.431 1.00 45.35 ATOM 1618 HG LEU 97 14.887 -33.503 1.796 1.00 43.24 ATOM 1619 CD1 LEU 97 12.917 -32.744 2.008 1.00 2.13 ATOM 1620 HD11 LEU 97 12.443 -33.652 1.663 1.00 42.35 ATOM 1621 HD12 LEU 97 12.338 -31.891 1.685 1.00 64.22 ATOM 1622 HD13 LEU 97 12.969 -32.755 3.088 1.00 60.14 ATOM 1623 CD2 LEU 97 14.303 -32.728 -0.093 1.00 71.12 ATOM 1624 HD21 LEU 97 15.316 -32.721 -0.469 1.00 42.12 ATOM 1625 HD22 LEU 97 13.766 -31.879 -0.491 1.00 43.03 ATOM 1626 HD23 LEU 97 13.814 -33.641 -0.399 1.00 1.22 ATOM 1627 C LEU 97 17.067 -29.916 2.082 1.00 54.51 ATOM 1628 O LEU 97 17.580 -29.989 3.200 1.00 62.25 ATOM 1629 N PRO 98 17.002 -28.750 1.412 1.00 52.05 ATOM 1630 CA PRO 98 17.536 -27.491 1.955 1.00 1.05 ATOM 1631 HA PRO 98 18.500 -27.641 2.421 1.00 2.00 ATOM 1632 CB PRO 98 17.702 -26.630 0.697 1.00 72.23 ATOM 1633 HB1 PRO 98 18.680 -26.799 0.266 1.00 37.29 ATOM 1634 HB2 PRO 98 17.592 -25.584 0.950 1.00 52.03 ATOM 1635 CG PRO 98 16.617 -27.093 -0.219 1.00 21.20 ATOM 1636 HG1 PRO 98 16.920 -26.953 -1.248 1.00 37.29 ATOM 1637 HG2 PRO 98 15.709 -26.540 -0.021 1.00 44.23 ATOM 1638 CD PRO 98 16.409 -28.564 0.072 1.00 23.55 ATOM 1639 HD1 PRO 98 16.922 -29.171 -0.662 1.00 37.29 ATOM 1640 HD2 PRO 98 15.353 -28.801 0.086 1.00 55.32 ATOM 1641 C PRO 98 16.582 -26.810 2.960 1.00 24.00 ATOM 1642 O PRO 98 15.397 -26.614 2.678 1.00 45.41 ATOM 1643 N THR 99 17.109 -26.425 4.124 1.00 32.40 ATOM 1644 HN THR 99 18.061 -26.604 4.298 1.00 37.29 ATOM 1645 CA THR 99 16.304 -25.752 5.161 1.00 34.33 ATOM 1646 HA THR 99 15.447 -26.380 5.367 1.00 3.41 ATOM 1647 CB THR 99 17.101 -25.588 6.482 1.00 45.53 ATOM 1648 HB THR 99 17.389 -26.571 6.831 1.00 11.21 ATOM 1649 OG1 THR 99 16.289 -24.963 7.493 1.00 5.44 ATOM 1650 HG1 THR 99 15.606 -24.422 7.075 1.00 33.14 ATOM 1651 CG2 THR 99 18.369 -24.766 6.270 1.00 70.25 ATOM 1652 HG21 THR 99 19.008 -25.266 5.556 1.00 52.23 ATOM 1653 HG22 THR 99 18.894 -24.662 7.211 1.00 13.42 ATOM 1654 HG23 THR 99 18.109 -23.788 5.894 1.00 2.35 ATOM 1655 C THR 99 15.793 -24.373 4.695 1.00 32.15 ATOM 1656 O THR 99 14.978 -23.740 5.372 1.00 11.31 ATOM 1657 N SER 100 16.276 -23.920 3.536 1.00 12.51 ATOM 1658 HN SER 100 16.990 -24.428 3.094 1.00 37.29 ATOM 1659 CA SER 100 15.804 -22.669 2.915 1.00 34.15 ATOM 1660 HA SER 100 15.996 -21.864 3.610 1.00 73.31 ATOM 1661 CB SER 100 16.576 -22.394 1.614 1.00 60.32 ATOM 1662 HB1 SER 100 16.506 -23.258 0.967 1.00 37.29 ATOM 1663 HB2 SER 100 17.614 -22.209 1.849 1.00 40.32 ATOM 1664 OG SER 100 16.061 -21.262 0.924 1.00 33.20 ATOM 1665 HG SER 100 16.357 -21.285 0.004 1.00 60.24 ATOM 1666 C SER 100 14.297 -22.714 2.616 1.00 14.12 ATOM 1667 O SER 100 13.634 -21.675 2.554 1.00 3.12 ATOM 1668 N ILE 101 13.759 -23.921 2.430 1.00 25.44 ATOM 1669 HN ILE 101 14.337 -24.714 2.475 1.00 37.29 ATOM 1670 CA ILE 101 12.326 -24.095 2.174 1.00 61.43 ATOM 1671 HA ILE 101 12.072 -23.506 1.300 1.00 33.24 ATOM 1672 CB ILE 101 11.977 -25.578 1.879 1.00 1.13 ATOM 1673 HB ILE 101 12.180 -26.158 2.769 1.00 55.54 ATOM 1674 CG1 ILE 101 12.842 -26.111 0.723 1.00 61.10 ATOM 1675 HG11 ILE 101 13.886 -25.962 0.965 1.00 37.29 ATOM 1676 HG12 ILE 101 12.607 -25.566 -0.179 1.00 33.31 ATOM 1677 CG2 ILE 101 10.490 -25.725 1.549 1.00 4.34 ATOM 1678 HG21 ILE 101 10.256 -25.139 0.672 1.00 62.30 ATOM 1679 HG22 ILE 101 9.899 -25.375 2.382 1.00 30.32 ATOM 1680 HG23 ILE 101 10.260 -26.765 1.359 1.00 2.22 ATOM 1681 CD1 ILE 101 12.639 -27.583 0.433 1.00 51.32 ATOM 1682 HD11 ILE 101 13.302 -27.887 -0.365 1.00 3.02 ATOM 1683 HD12 ILE 101 11.616 -27.756 0.134 1.00 2.50 ATOM 1684 HD13 ILE 101 12.858 -28.159 1.320 1.00 64.40 ATOM 1685 C ILE 101 11.498 -23.590 3.370 1.00 41.22 ATOM 1686 O ILE 101 11.308 -24.297 4.361 1.00 70.24 ATOM 1687 N THR 102 11.020 -22.350 3.263 1.00 14.22 ATOM 1688 HN THR 102 11.164 -21.864 2.421 1.00 37.29 ATOM 1689 CA THR 102 10.311 -21.672 4.361 1.00 62.12 ATOM 1690 HA THR 102 11.022 -21.521 5.161 1.00 4.41 ATOM 1691 CB THR 102 9.803 -20.278 3.907 1.00 73.40 ATOM 1692 HB THR 102 9.098 -20.415 3.098 1.00 11.42 ATOM 1693 OG1 THR 102 10.903 -19.486 3.431 1.00 3.11 ATOM 1694 HG1 THR 102 11.722 -19.784 3.852 1.00 44.45 ATOM 1695 CG2 THR 102 9.102 -19.536 5.043 1.00 43.32 ATOM 1696 HG21 THR 102 8.772 -18.568 4.692 1.00 55.40 ATOM 1697 HG22 THR 102 9.788 -19.404 5.867 1.00 14.01 ATOM 1698 HG23 THR 102 8.247 -20.107 5.375 1.00 22.13 ATOM 1699 C THR 102 9.125 -22.489 4.903 1.00 5.11 ATOM 1700 O THR 102 8.854 -22.483 6.106 1.00 41.43 ATOM 1701 N SER 103 8.430 -23.200 4.018 1.00 12.11 ATOM 1702 HN SER 103 8.720 -23.210 3.080 1.00 37.29 ATOM 1703 CA SER 103 7.234 -23.970 4.405 1.00 3.54 ATOM 1704 HA SER 103 6.868 -23.566 5.339 1.00 40.13 ATOM 1705 CB SER 103 6.139 -23.809 3.342 1.00 61.10 ATOM 1706 HB1 SER 103 5.897 -22.763 3.235 1.00 37.29 ATOM 1707 HB2 SER 103 5.256 -24.353 3.647 1.00 74.23 ATOM 1708 OG SER 103 6.568 -24.307 2.085 1.00 64.21 ATOM 1709 HG SER 103 6.244 -23.732 1.383 1.00 63.44 ATOM 1710 C SER 103 7.538 -25.465 4.607 1.00 11.43 ATOM 1711 O SER 103 6.618 -26.285 4.667 1.00 51.44 ATOM 1712 N ALA 104 8.821 -25.814 4.738 1.00 25.34 ATOM 1713 HN ALA 104 9.511 -25.117 4.709 1.00 37.29 ATOM 1714 CA ALA 104 9.234 -27.216 4.914 1.00 42.45 ATOM 1715 HA ALA 104 8.928 -27.763 4.032 1.00 74.34 ATOM 1716 CB ALA 104 10.754 -27.312 5.019 1.00 63.23 ATOM 1717 HB1 ALA 104 11.203 -26.885 4.134 1.00 34.12 ATOM 1718 HB2 ALA 104 11.048 -28.349 5.105 1.00 73.34 ATOM 1719 HB3 ALA 104 11.091 -26.769 5.890 1.00 55.41 ATOM 1720 C ALA 104 8.575 -27.861 6.145 1.00 22.15 ATOM 1721 O ALA 104 7.713 -28.730 6.014 1.00 42.42 ATOM 1722 N ALA 105 8.977 -27.415 7.335 1.00 12.41 ATOM 1723 HN ALA 105 9.655 -26.708 7.369 1.00 37.29 ATOM 1724 CA ALA 105 8.447 -27.955 8.597 1.00 13.34 ATOM 1725 HA ALA 105 8.772 -28.984 8.679 1.00 24.21 ATOM 1726 CB ALA 105 9.035 -27.181 9.771 1.00 62.35 ATOM 1727 HB1 ALA 105 8.703 -26.153 9.728 1.00 14.33 ATOM 1728 HB2 ALA 105 10.114 -27.212 9.719 1.00 74.35 ATOM 1729 HB3 ALA 105 8.707 -27.627 10.698 1.00 13.42 ATOM 1730 C ALA 105 6.911 -27.912 8.655 1.00 71.53 ATOM 1731 O ALA 105 6.266 -28.830 9.164 1.00 60.13 ATOM 1732 N PHE 106 6.341 -26.835 8.127 1.00 35.21 ATOM 1733 HN PHE 106 6.912 -26.153 7.722 1.00 37.29 ATOM 1734 CA PHE 106 4.889 -26.634 8.127 1.00 74.10 ATOM 1735 HA PHE 106 4.544 -26.719 9.149 1.00 53.42 ATOM 1736 CB PHE 106 4.573 -25.222 7.612 1.00 23.40 ATOM 1737 HB1 PHE 106 4.937 -25.128 6.597 1.00 37.29 ATOM 1738 HB2 PHE 106 5.081 -24.498 8.234 1.00 1.14 ATOM 1739 CG PHE 106 3.105 -24.879 7.614 1.00 24.33 ATOM 1740 CD1 PHE 106 2.384 -24.829 6.428 1.00 23.04 ATOM 1741 HD1 PHE 106 2.884 -25.038 5.494 1.00 74.23 ATOM 1742 CD2 PHE 106 2.448 -24.607 8.804 1.00 54.21 ATOM 1743 HD2 PHE 106 2.999 -24.644 9.734 1.00 54.12 ATOM 1744 CE1 PHE 106 1.038 -24.516 6.433 1.00 44.55 ATOM 1745 HE1 PHE 106 0.487 -24.480 5.504 1.00 73.25 ATOM 1746 CE2 PHE 106 1.104 -24.294 8.815 1.00 42.41 ATOM 1747 HE2 PHE 106 0.605 -24.085 9.750 1.00 14.52 ATOM 1748 CZ PHE 106 0.398 -24.248 7.628 1.00 62.15 ATOM 1749 HZ PHE 106 -0.655 -24.003 7.633 1.00 71.12 ATOM 1750 C PHE 106 4.164 -27.689 7.270 1.00 64.34 ATOM 1751 O PHE 106 3.175 -28.284 7.703 1.00 12.53 ATOM 1752 N THR 107 4.668 -27.915 6.058 1.00 50.01 ATOM 1753 HN THR 107 5.489 -27.449 5.792 1.00 37.29 ATOM 1754 CA THR 107 4.033 -28.840 5.105 1.00 21.22 ATOM 1755 HA THR 107 2.965 -28.678 5.154 1.00 63.10 ATOM 1756 CB THR 107 4.493 -28.554 3.652 1.00 34.20 ATOM 1757 HB THR 107 5.562 -28.712 3.592 1.00 42.54 ATOM 1758 OG1 THR 107 4.206 -27.188 3.306 1.00 31.43 ATOM 1759 HG1 THR 107 5.007 -26.658 3.418 1.00 11.04 ATOM 1760 CG2 THR 107 3.809 -29.484 2.651 1.00 22.44 ATOM 1761 HG21 THR 107 4.037 -30.512 2.897 1.00 70.52 ATOM 1762 HG22 THR 107 4.166 -29.266 1.655 1.00 72.24 ATOM 1763 HG23 THR 107 2.740 -29.334 2.691 1.00 32.24 ATOM 1764 C THR 107 4.321 -30.312 5.448 1.00 53.42 ATOM 1765 O THR 107 3.434 -31.164 5.345 1.00 23.10 ATOM 1766 N LEU 108 5.559 -30.611 5.854 1.00 75.10 ATOM 1767 HN LEU 108 6.229 -29.897 5.909 1.00 37.29 ATOM 1768 CA LEU 108 5.942 -31.985 6.222 1.00 64.25 ATOM 1769 HA LEU 108 5.779 -32.610 5.355 1.00 73.23 ATOM 1770 CB LEU 108 7.426 -32.057 6.609 1.00 5.12 ATOM 1771 HB1 LEU 108 7.628 -33.046 6.996 1.00 37.29 ATOM 1772 HB2 LEU 108 7.602 -31.340 7.399 1.00 42.11 ATOM 1773 CG LEU 108 8.423 -31.774 5.473 1.00 62.34 ATOM 1774 HG LEU 108 8.296 -30.753 5.141 1.00 41.22 ATOM 1775 CD1 LEU 108 9.858 -31.925 5.970 1.00 42.14 ATOM 1776 HD11 LEU 108 10.037 -31.224 6.773 1.00 52.24 ATOM 1777 HD12 LEU 108 10.544 -31.723 5.160 1.00 11.02 ATOM 1778 HD13 LEU 108 10.014 -32.932 6.330 1.00 4.31 ATOM 1779 CD2 LEU 108 8.164 -32.693 4.279 1.00 43.35 ATOM 1780 HD21 LEU 108 8.873 -32.473 3.494 1.00 70.30 ATOM 1781 HD22 LEU 108 7.162 -32.533 3.911 1.00 61.41 ATOM 1782 HD23 LEU 108 8.275 -33.725 4.584 1.00 65.20 ATOM 1783 C LEU 108 5.084 -32.521 7.375 1.00 31.13 ATOM 1784 O LEU 108 4.711 -33.693 7.388 1.00 44.40 ATOM 1785 N ARG 109 4.781 -31.659 8.340 1.00 71.21 ATOM 1786 HN ARG 109 5.153 -30.752 8.301 1.00 37.29 ATOM 1787 CA ARG 109 3.917 -32.025 9.465 1.00 25.25 ATOM 1788 HA ARG 109 4.411 -32.814 10.015 1.00 51.51 ATOM 1789 CB ARG 109 3.738 -30.815 10.387 1.00 63.00 ATOM 1790 HB1 ARG 109 3.372 -29.984 9.799 1.00 37.29 ATOM 1791 HB2 ARG 109 4.700 -30.550 10.802 1.00 14.24 ATOM 1792 CG ARG 109 2.770 -31.044 11.543 1.00 14.40 ATOM 1793 HG1 ARG 109 3.117 -31.885 12.129 1.00 37.29 ATOM 1794 HG2 ARG 109 1.790 -31.261 11.144 1.00 3.50 ATOM 1795 CD ARG 109 2.679 -29.816 12.442 1.00 42.23 ATOM 1796 HD1 ARG 109 3.626 -29.682 12.946 1.00 37.29 ATOM 1797 HD2 ARG 109 1.902 -29.978 13.176 1.00 54.14 ATOM 1798 NE ARG 109 2.368 -28.606 11.681 1.00 35.52 ATOM 1799 HE ARG 109 1.853 -28.713 10.857 1.00 60.31 ATOM 1800 CZ ARG 109 2.741 -27.403 12.028 1.00 30.24 ATOM 1801 NH1 ARG 109 3.429 -27.201 13.106 1.00 2.45 ATOM 1802 HH11 ARG 109 3.680 -27.965 13.688 1.00 51.23 ATOM 1803 HH12 ARG 109 3.711 -26.271 13.345 1.00 2.01 ATOM 1804 NH2 ARG 109 2.435 -26.394 11.288 1.00 74.23 ATOM 1805 HH21 ARG 109 1.914 -26.528 10.453 1.00 53.53 ATOM 1806 HH22 ARG 109 2.723 -25.477 11.562 1.00 61.04 ATOM 1807 C ARG 109 2.551 -32.543 8.976 1.00 24.03 ATOM 1808 O ARG 109 2.047 -33.554 9.470 1.00 3.12 ATOM 1809 N THR 110 1.965 -31.850 7.999 1.00 11.44 ATOM 1810 HN THR 110 2.400 -31.035 7.667 1.00 37.29 ATOM 1811 CA THR 110 0.688 -32.271 7.404 1.00 60.23 ATOM 1812 HA THR 110 -0.018 -32.421 8.211 1.00 44.00 ATOM 1813 CB THR 110 0.109 -31.190 6.451 1.00 34.14 ATOM 1814 HB THR 110 0.863 -30.946 5.715 1.00 52.23 ATOM 1815 OG1 THR 110 -0.217 -29.998 7.188 1.00 4.12 ATOM 1816 HG1 THR 110 -1.175 -29.898 7.229 1.00 4.34 ATOM 1817 CG2 THR 110 -1.135 -31.696 5.719 1.00 31.15 ATOM 1818 HG21 THR 110 -1.521 -30.913 5.080 1.00 74.42 ATOM 1819 HG22 THR 110 -1.890 -31.976 6.439 1.00 10.44 ATOM 1820 HG23 THR 110 -0.878 -32.556 5.116 1.00 3.03 ATOM 1821 C THR 110 0.840 -33.591 6.631 1.00 63.42 ATOM 1822 O THR 110 0.064 -34.528 6.825 1.00 21.11 ATOM 1823 N GLN 111 1.851 -33.664 5.763 1.00 62.12 ATOM 1824 HN GLN 111 2.455 -32.896 5.671 1.00 37.29 ATOM 1825 CA GLN 111 2.087 -34.865 4.948 1.00 71.42 ATOM 1826 HA GLN 111 1.206 -35.023 4.340 1.00 33.23 ATOM 1827 CB GLN 111 3.294 -34.658 4.020 1.00 53.23 ATOM 1828 HB1 GLN 111 3.460 -35.564 3.453 1.00 37.29 ATOM 1829 HB2 GLN 111 4.167 -34.460 4.626 1.00 61.02 ATOM 1830 CG GLN 111 3.127 -33.502 3.034 1.00 54.41 ATOM 1831 HG1 GLN 111 4.022 -33.430 2.430 1.00 37.29 ATOM 1832 HG2 GLN 111 3.003 -32.586 3.594 1.00 61.13 ATOM 1833 CD GLN 111 1.929 -33.670 2.107 1.00 10.41 ATOM 1834 OE1 GLN 111 1.528 -34.780 1.773 1.00 24.42 ATOM 1835 NE2 GLN 111 1.349 -32.566 1.679 1.00 41.12 ATOM 1836 HE21 GLN 111 1.712 -31.709 1.974 1.00 14.21 ATOM 1837 HE22 GLN 111 0.582 -32.655 1.080 1.00 54.55 ATOM 1838 C GLN 111 2.301 -36.109 5.827 1.00 4.35 ATOM 1839 O GLN 111 1.639 -37.132 5.647 1.00 12.43 ATOM 1840 N TYR 112 3.215 -36.007 6.789 1.00 72.43 ATOM 1841 HN TYR 112 3.713 -35.169 6.882 1.00 37.29 ATOM 1842 CA TYR 112 3.496 -37.111 7.715 1.00 63.54 ATOM 1843 HA TYR 112 3.878 -37.940 7.134 1.00 52.40 ATOM 1844 CB TYR 112 4.563 -36.680 8.734 1.00 15.52 ATOM 1845 HB1 TYR 112 4.141 -35.931 9.390 1.00 37.29 ATOM 1846 HB2 TYR 112 5.402 -36.249 8.204 1.00 72.44 ATOM 1847 CG TYR 112 5.094 -37.813 9.597 1.00 75.51 ATOM 1848 CD1 TYR 112 4.473 -38.159 10.791 1.00 10.45 ATOM 1849 HD1 TYR 112 3.593 -37.614 11.104 1.00 42.42 ATOM 1850 CD2 TYR 112 6.223 -38.530 9.218 1.00 4.44 ATOM 1851 HD2 TYR 112 6.720 -38.277 8.291 1.00 22.04 ATOM 1852 CE1 TYR 112 4.962 -39.181 11.579 1.00 11.34 ATOM 1853 HE1 TYR 112 4.463 -39.433 12.504 1.00 51.54 ATOM 1854 CE2 TYR 112 6.715 -39.557 10.000 1.00 30.24 ATOM 1855 HE2 TYR 112 7.594 -40.101 9.686 1.00 63.20 ATOM 1856 CZ TYR 112 6.083 -39.877 11.181 1.00 65.31 ATOM 1857 OH TYR 112 6.574 -40.893 11.967 1.00 2.33 ATOM 1858 HH TYR 112 5.907 -41.143 12.623 1.00 70.02 ATOM 1859 C TYR 112 2.215 -37.561 8.441 1.00 70.31 ATOM 1860 O TYR 112 1.982 -38.758 8.631 1.00 14.34 ATOM 1861 N MET 113 1.380 -36.591 8.819 1.00 32.45 ATOM 1862 HN MET 113 1.619 -35.658 8.628 1.00 37.29 ATOM 1863 CA MET 113 0.117 -36.870 9.515 1.00 4.21 ATOM 1864 HA MET 113 0.343 -37.510 10.355 1.00 74.20 ATOM 1865 CB MET 113 -0.491 -35.563 10.041 1.00 4.40 ATOM 1866 HB1 MET 113 -0.793 -34.955 9.199 1.00 37.29 ATOM 1867 HB2 MET 113 0.265 -35.031 10.601 1.00 61.34 ATOM 1868 CG MET 113 -1.701 -35.761 10.946 1.00 43.44 ATOM 1869 HG1 MET 113 -1.410 -36.380 11.784 1.00 37.29 ATOM 1870 HG2 MET 113 -2.479 -36.259 10.387 1.00 12.45 ATOM 1871 SD MET 113 -2.355 -34.204 11.579 1.00 41.21 ATOM 1872 CE MET 113 -0.930 -33.574 12.467 1.00 12.54 ATOM 1873 HE1 MET 113 -0.643 -34.277 13.236 1.00 71.02 ATOM 1874 HE2 MET 113 -1.180 -32.627 12.922 1.00 5.51 ATOM 1875 HE3 MET 113 -0.109 -33.437 11.779 1.00 63.52 ATOM 1876 C MET 113 -0.888 -37.598 8.599 1.00 60.45 ATOM 1877 O MET 113 -1.799 -38.281 9.073 1.00 64.42 ATOM 1878 N LYS 114 -0.721 -37.437 7.288 1.00 64.45 ATOM 1879 HN LYS 114 -0.021 -36.827 6.971 1.00 37.29 ATOM 1880 CA LYS 114 -1.564 -38.129 6.303 1.00 22.53 ATOM 1881 HA LYS 114 -2.590 -38.070 6.641 1.00 5.11 ATOM 1882 CB LYS 114 -1.453 -37.452 4.927 1.00 74.34 ATOM 1883 HB1 LYS 114 -1.981 -38.058 4.202 1.00 37.29 ATOM 1884 HB2 LYS 114 -0.408 -37.414 4.648 1.00 15.53 ATOM 1885 CG LYS 114 -2.013 -36.032 4.859 1.00 13.12 ATOM 1886 HG1 LYS 114 -1.563 -35.437 5.642 1.00 37.29 ATOM 1887 HG2 LYS 114 -3.084 -36.068 5.002 1.00 4.41 ATOM 1888 CD LYS 114 -1.715 -35.379 3.507 1.00 51.14 ATOM 1889 HD1 LYS 114 -0.643 -35.323 3.373 1.00 37.29 ATOM 1890 HD2 LYS 114 -2.128 -34.380 3.501 1.00 30.52 ATOM 1891 CE LYS 114 -2.319 -36.166 2.344 1.00 12.42 ATOM 1892 HE1 LYS 114 -3.395 -36.073 2.380 1.00 37.29 ATOM 1893 HE2 LYS 114 -2.046 -37.206 2.447 1.00 43.20 ATOM 1894 NZ LYS 114 -1.834 -35.673 1.025 1.00 31.02 ATOM 1895 HZ1 LYS 114 -0.820 -35.878 0.919 1.00 2.12 ATOM 1896 HZ2 LYS 114 -1.977 -34.647 0.947 1.00 15.25 ATOM 1897 HZ3 LYS 114 -2.350 -36.140 0.253 1.00 72.14 ATOM 1898 C LYS 114 -1.174 -39.610 6.149 1.00 65.00 ATOM 1899 O LYS 114 -2.029 -40.495 6.190 1.00 72.02 ATOM 1900 N TYR 115 0.124 -39.868 5.960 1.00 10.44 ATOM 1901 HN TYR 115 0.774 -39.147 6.083 1.00 37.29 ATOM 1902 CA TYR 115 0.594 -41.205 5.557 1.00 33.34 ATOM 1903 HA TYR 115 -0.250 -41.741 5.148 1.00 42.23 ATOM 1904 CB TYR 115 1.663 -41.069 4.455 1.00 41.14 ATOM 1905 HB1 TYR 115 1.783 -42.023 3.960 1.00 37.29 ATOM 1906 HB2 TYR 115 2.604 -40.787 4.907 1.00 33.13 ATOM 1907 CG TYR 115 1.327 -40.031 3.394 1.00 34.34 ATOM 1908 CD1 TYR 115 0.316 -40.248 2.467 1.00 10.14 ATOM 1909 HD1 TYR 115 -0.229 -41.179 2.495 1.00 23.04 ATOM 1910 CD2 TYR 115 2.016 -38.824 3.333 1.00 72.15 ATOM 1911 HD2 TYR 115 2.810 -38.638 4.042 1.00 1.02 ATOM 1912 CE1 TYR 115 -0.001 -39.297 1.516 1.00 4.14 ATOM 1913 HE1 TYR 115 -0.792 -39.489 0.805 1.00 3.44 ATOM 1914 CE2 TYR 115 1.709 -37.871 2.383 1.00 51.34 ATOM 1915 HE2 TYR 115 2.257 -36.940 2.356 1.00 43.42 ATOM 1916 CZ TYR 115 0.698 -38.110 1.479 1.00 62.04 ATOM 1917 OH TYR 115 0.374 -37.150 0.543 1.00 63.34 ATOM 1918 HH TYR 115 1.181 -36.739 0.210 1.00 62.23 ATOM 1919 C TYR 115 1.174 -42.030 6.726 1.00 43.24 ATOM 1920 O TYR 115 0.774 -43.171 6.950 1.00 3.14 ATOM 1921 N LEU 116 2.100 -41.444 7.481 1.00 25.32 ATOM 1922 HN LEU 116 2.238 -40.478 7.401 1.00 37.29 ATOM 1923 CA LEU 116 2.919 -42.213 8.438 1.00 4.31 ATOM 1924 HA LEU 116 2.900 -43.247 8.122 1.00 13.34 ATOM 1925 CB LEU 116 4.369 -41.720 8.372 1.00 15.11 ATOM 1926 HB1 LEU 116 4.941 -42.237 9.130 1.00 37.29 ATOM 1927 HB2 LEU 116 4.378 -40.661 8.596 1.00 34.20 ATOM 1928 CG LEU 116 5.059 -41.937 7.014 1.00 40.21 ATOM 1929 HG LEU 116 4.434 -41.527 6.232 1.00 23.23 ATOM 1930 CD1 LEU 116 6.404 -41.222 6.959 1.00 12.14 ATOM 1931 HD11 LEU 116 6.255 -40.163 7.107 1.00 51.34 ATOM 1932 HD12 LEU 116 6.864 -41.388 5.995 1.00 43.43 ATOM 1933 HD13 LEU 116 7.051 -41.605 7.736 1.00 42.04 ATOM 1934 CD2 LEU 116 5.236 -43.428 6.737 1.00 35.41 ATOM 1935 HD21 LEU 116 4.270 -43.912 6.729 1.00 61.42 ATOM 1936 HD22 LEU 116 5.853 -43.871 7.507 1.00 13.45 ATOM 1937 HD23 LEU 116 5.712 -43.560 5.777 1.00 15.40 ATOM 1938 C LEU 116 2.398 -42.149 9.885 1.00 54.35 ATOM 1939 O LEU 116 2.748 -42.997 10.708 1.00 54.30 ATOM 1940 N TYR 117 1.561 -41.159 10.188 1.00 74.41 ATOM 1941 HN TYR 117 1.318 -40.515 9.489 1.00 37.29 ATOM 1942 CA TYR 117 0.998 -40.994 11.544 1.00 32.51 ATOM 1943 HA TYR 117 1.819 -40.719 12.193 1.00 23.34 ATOM 1944 CB TYR 117 -0.029 -39.846 11.556 1.00 41.32 ATOM 1945 HB1 TYR 117 -0.682 -39.950 10.701 1.00 37.29 ATOM 1946 HB2 TYR 117 0.497 -38.905 11.482 1.00 10.52 ATOM 1947 CG TYR 117 -0.895 -39.790 12.804 1.00 62.25 ATOM 1948 CD1 TYR 117 -2.244 -40.131 12.751 1.00 43.40 ATOM 1949 HD1 TYR 117 -2.672 -40.435 11.807 1.00 22.00 ATOM 1950 CD2 TYR 117 -0.367 -39.402 14.031 1.00 14.32 ATOM 1951 HD2 TYR 117 0.677 -39.134 14.093 1.00 24.45 ATOM 1952 CE1 TYR 117 -3.038 -40.088 13.880 1.00 2.11 ATOM 1953 HE1 TYR 117 -4.082 -40.356 13.816 1.00 5.31 ATOM 1954 CE2 TYR 117 -1.156 -39.357 15.165 1.00 44.20 ATOM 1955 HE2 TYR 117 -0.729 -39.051 16.110 1.00 64.43 ATOM 1956 CZ TYR 117 -2.491 -39.700 15.083 1.00 21.54 ATOM 1957 OH TYR 117 -3.282 -39.656 16.209 1.00 52.14 ATOM 1958 HH TYR 117 -3.120 -38.835 16.680 1.00 60.13 ATOM 1959 C TYR 117 0.370 -42.299 12.100 1.00 42.04 ATOM 1960 O TYR 117 0.718 -42.730 13.204 1.00 52.41 ATOM 1961 N PRO 118 -0.558 -42.959 11.364 1.00 41.21 ATOM 1962 CA PRO 118 -1.177 -44.211 11.840 1.00 1.23 ATOM 1963 HA PRO 118 -1.709 -44.057 12.769 1.00 71.34 ATOM 1964 CB PRO 118 -2.179 -44.570 10.725 1.00 10.30 ATOM 1965 HB1 PRO 118 -3.104 -44.919 11.164 1.00 37.29 ATOM 1966 HB2 PRO 118 -1.764 -45.346 10.093 1.00 32.12 ATOM 1967 CG PRO 118 -2.384 -43.303 9.963 1.00 52.00 ATOM 1968 HG1 PRO 118 -3.173 -42.720 10.420 1.00 37.29 ATOM 1969 HG2 PRO 118 -2.630 -43.526 8.934 1.00 61.05 ATOM 1970 CD PRO 118 -1.080 -42.565 10.040 1.00 24.14 ATOM 1971 HD1 PRO 118 -1.243 -41.499 9.990 1.00 37.29 ATOM 1972 HD2 PRO 118 -0.414 -42.886 9.251 1.00 33.25 ATOM 1973 C PRO 118 -0.151 -45.341 12.026 1.00 34.33 ATOM 1974 O PRO 118 -0.334 -46.239 12.853 1.00 71.34 ATOM 1975 N TYR 119 0.945 -45.273 11.269 1.00 2.54 ATOM 1976 HN TYR 119 1.090 -44.478 10.712 1.00 37.29 ATOM 1977 CA TYR 119 1.942 -46.344 11.259 1.00 64.10 ATOM 1978 HA TYR 119 1.406 -47.282 11.212 1.00 13.43 ATOM 1979 CB TYR 119 2.838 -46.226 10.015 1.00 10.22 ATOM 1980 HB1 TYR 119 3.653 -45.548 10.225 1.00 37.29 ATOM 1981 HB2 TYR 119 2.255 -45.832 9.195 1.00 75.41 ATOM 1982 CG TYR 119 3.430 -47.552 9.572 1.00 75.34 ATOM 1983 CD1 TYR 119 4.747 -47.893 9.861 1.00 61.42 ATOM 1984 HD1 TYR 119 5.365 -47.193 10.405 1.00 62.14 ATOM 1985 CD2 TYR 119 2.656 -48.469 8.870 1.00 75.25 ATOM 1986 HD2 TYR 119 1.631 -48.221 8.636 1.00 13.22 ATOM 1987 CE1 TYR 119 5.272 -49.109 9.463 1.00 14.23 ATOM 1988 HE1 TYR 119 6.297 -49.356 9.697 1.00 53.41 ATOM 1989 CE2 TYR 119 3.175 -49.682 8.468 1.00 60.55 ATOM 1990 HE2 TYR 119 2.555 -50.378 7.920 1.00 64.01 ATOM 1991 CZ TYR 119 4.482 -49.999 8.765 1.00 54.32 ATOM 1992 OH TYR 119 4.994 -51.215 8.378 1.00 64.20 ATOM 1993 HH TYR 119 4.578 -51.488 7.550 1.00 41.20 ATOM 1994 C TYR 119 2.788 -46.337 12.544 1.00 60.31 ATOM 1995 O TYR 119 2.943 -47.376 13.192 1.00 43.24 ATOM 1996 N GLU 120 3.323 -45.170 12.923 1.00 24.33 ATOM 1997 HN GLU 120 3.202 -44.377 12.356 1.00 37.29 ATOM 1998 CA GLU 120 4.098 -45.058 14.170 1.00 53.05 ATOM 1999 HA GLU 120 4.881 -45.805 14.131 1.00 51.35 ATOM 2000 CB GLU 120 4.747 -43.669 14.327 1.00 73.30 ATOM 2001 HB1 GLU 120 5.258 -43.420 13.408 1.00 37.29 ATOM 2002 HB2 GLU 120 5.473 -43.718 15.125 1.00 61.24 ATOM 2003 CG GLU 120 3.769 -42.538 14.649 1.00 2.12 ATOM 2004 HG1 GLU 120 3.053 -42.893 15.379 1.00 37.29 ATOM 2005 HG2 GLU 120 3.245 -42.262 13.744 1.00 62.34 ATOM 2006 CD GLU 120 4.466 -41.302 15.207 1.00 22.23 ATOM 2007 OE1 GLU 120 5.080 -40.558 14.418 1.00 64.11 ATOM 2008 OE2 GLU 120 4.407 -41.078 16.440 1.00 3.43 ATOM 2009 C GLU 120 3.208 -45.350 15.384 1.00 21.54 ATOM 2010 O GLU 120 3.659 -45.922 16.377 1.00 14.35 ATOM 2011 N CYS 121 1.943 -44.941 15.292 1.00 31.31 ATOM 2012 HN CYS 121 1.664 -44.451 14.487 1.00 37.29 ATOM 2013 CA CYS 121 0.959 -45.180 16.355 1.00 14.42 ATOM 2014 HA CYS 121 1.273 -44.623 17.227 1.00 42.21 ATOM 2015 CB CYS 121 -0.421 -44.674 15.920 1.00 45.54 ATOM 2016 HB1 CYS 121 -0.668 -45.106 14.960 1.00 37.29 ATOM 2017 HB2 CYS 121 -0.389 -43.599 15.825 1.00 3.23 ATOM 2018 SG CYS 121 -1.761 -45.081 17.066 1.00 73.31 ATOM 2019 HG CYS 121 -1.645 -44.299 18.133 1.00 11.14 ATOM 2020 C CYS 121 0.868 -46.667 16.726 1.00 1.10 ATOM 2021 O CYS 121 1.029 -47.037 17.889 1.00 71.01 ATOM 2022 N GLU 122 0.618 -47.522 15.734 1.00 42.15 ATOM 2023 HN GLU 122 0.517 -47.178 14.817 1.00 37.29 ATOM 2024 CA GLU 122 0.473 -48.965 15.985 1.00 35.42 ATOM 2025 HA GLU 122 -0.045 -49.084 16.926 1.00 3.13 ATOM 2026 CB GLU 122 -0.364 -49.624 14.880 1.00 4.01 ATOM 2027 HB1 GLU 122 0.146 -49.504 13.933 1.00 37.29 ATOM 2028 HB2 GLU 122 -1.325 -49.131 14.825 1.00 5.13 ATOM 2029 CG GLU 122 -0.600 -51.116 15.114 1.00 33.13 ATOM 2030 HG1 GLU 122 -1.270 -51.232 15.955 1.00 37.29 ATOM 2031 HG2 GLU 122 0.346 -51.584 15.349 1.00 23.12 ATOM 2032 CD GLU 122 -1.203 -51.820 13.910 1.00 12.25 ATOM 2033 OE1 GLU 122 -0.436 -52.414 13.119 1.00 52.21 ATOM 2034 OE2 GLU 122 -2.444 -51.798 13.757 1.00 33.44 ATOM 2035 C GLU 122 1.831 -49.687 16.077 1.00 2.54 ATOM 2036 O GLU 122 2.158 -50.307 17.093 1.00 14.43 ATOM 2037 N LYS 123 2.621 -49.587 15.014 1.00 43.32 ATOM 2038 HN LYS 123 2.398 -48.931 14.318 1.00 37.29 ATOM 2039 CA LYS 123 3.818 -50.421 14.843 1.00 72.42 ATOM 2040 HA LYS 123 3.584 -51.401 15.225 1.00 72.54 ATOM 2041 CB LYS 123 4.118 -50.577 13.357 1.00 64.05 ATOM 2042 HB1 LYS 123 4.991 -51.205 13.240 1.00 37.29 ATOM 2043 HB2 LYS 123 4.325 -49.602 12.935 1.00 10.55 ATOM 2044 CG LYS 123 2.956 -51.205 12.589 1.00 74.15 ATOM 2045 HG1 LYS 123 2.346 -50.415 12.171 1.00 37.29 ATOM 2046 HG2 LYS 123 2.361 -51.796 13.272 1.00 3.22 ATOM 2047 CD LYS 123 3.444 -52.100 11.464 1.00 73.13 ATOM 2048 HD1 LYS 123 3.984 -52.935 11.891 1.00 37.29 ATOM 2049 HD2 LYS 123 4.107 -51.530 10.840 1.00 21.01 ATOM 2050 CE LYS 123 2.292 -52.637 10.622 1.00 62.41 ATOM 2051 HE1 LYS 123 1.758 -51.803 10.186 1.00 37.29 ATOM 2052 HE2 LYS 123 1.623 -53.196 11.259 1.00 52.01 ATOM 2053 NZ LYS 123 2.769 -53.526 9.533 1.00 74.24 ATOM 2054 HZ1 LYS 123 3.361 -52.990 8.864 1.00 60.44 ATOM 2055 HZ2 LYS 123 1.959 -53.921 9.015 1.00 12.43 ATOM 2056 HZ3 LYS 123 3.327 -54.309 9.925 1.00 73.14 ATOM 2057 C LYS 123 5.056 -49.899 15.594 1.00 71.13 ATOM 2058 O LYS 123 6.181 -50.314 15.302 1.00 71.54 ATOM 2059 N ARG 124 4.860 -49.004 16.560 1.00 4.22 ATOM 2060 HN ARG 124 3.953 -48.694 16.746 1.00 37.29 ATOM 2061 CA ARG 124 5.984 -48.489 17.350 1.00 15.03 ATOM 2062 HA ARG 124 6.643 -49.323 17.552 1.00 21.21 ATOM 2063 CB ARG 124 6.759 -47.442 16.534 1.00 20.25 ATOM 2064 HB1 ARG 124 6.153 -46.549 16.451 1.00 37.29 ATOM 2065 HB2 ARG 124 6.933 -47.835 15.543 1.00 42.24 ATOM 2066 CG ARG 124 8.107 -47.050 17.132 1.00 60.10 ATOM 2067 HG1 ARG 124 7.936 -46.558 18.081 1.00 37.29 ATOM 2068 HG2 ARG 124 8.603 -46.365 16.459 1.00 65.21 ATOM 2069 CD ARG 124 9.013 -48.261 17.359 1.00 12.31 ATOM 2070 HD1 ARG 124 8.589 -48.867 18.148 1.00 37.29 ATOM 2071 HD2 ARG 124 9.987 -47.911 17.666 1.00 74.23 ATOM 2072 NE ARG 124 9.163 -49.089 16.159 1.00 41.23 ATOM 2073 HE ARG 124 8.373 -49.227 15.602 1.00 14.44 ATOM 2074 CZ ARG 124 10.275 -49.684 15.811 1.00 53.53 ATOM 2075 NH1 ARG 124 11.358 -49.513 16.500 1.00 51.23 ATOM 2076 HH11 ARG 124 11.351 -48.921 17.306 1.00 44.12 ATOM 2077 HH12 ARG 124 12.199 -49.975 16.230 1.00 15.43 ATOM 2078 NH2 ARG 124 10.304 -50.443 14.766 1.00 15.30 ATOM 2079 HH21 ARG 124 9.477 -50.578 14.222 1.00 13.02 ATOM 2080 HH22 ARG 124 11.153 -50.901 14.507 1.00 62.23 ATOM 2081 C ARG 124 5.531 -47.901 18.700 1.00 53.13 ATOM 2082 O ARG 124 6.155 -48.152 19.731 1.00 34.12 ATOM 2083 N GLY 125 4.449 -47.123 18.692 1.00 14.30 ATOM 2084 HN GLY 125 3.987 -46.958 17.847 1.00 37.29 ATOM 2085 CA GLY 125 3.946 -46.515 19.923 1.00 53.33 ATOM 2086 HA1 GLY 125 3.892 -47.275 20.690 1.00 37.29 ATOM 2087 HA2 GLY 125 2.950 -46.137 19.739 1.00 43.12 ATOM 2088 C GLY 125 4.821 -45.366 20.426 1.00 22.13 ATOM 2089 O GLY 125 5.353 -45.410 21.539 1.00 32.34 ATOM 2090 N LEU 126 4.965 -44.329 19.606 1.00 44.31 ATOM 2091 HN LEU 126 4.476 -44.325 18.757 1.00 37.29 ATOM 2092 CA LEU 126 5.844 -43.195 19.926 1.00 53.34 ATOM 2093 HA LEU 126 6.650 -43.565 20.545 1.00 22.23 ATOM 2094 CB LEU 126 6.440 -42.631 18.634 1.00 4.21 ATOM 2095 HB1 LEU 126 6.996 -41.735 18.876 1.00 37.29 ATOM 2096 HB2 LEU 126 5.624 -42.360 17.977 1.00 40.23 ATOM 2097 CG LEU 126 7.373 -43.586 17.881 1.00 35.34 ATOM 2098 HG LEU 126 6.849 -44.511 17.691 1.00 44.43 ATOM 2099 CD1 LEU 126 7.777 -42.996 16.536 1.00 73.11 ATOM 2100 HD11 LEU 126 6.895 -42.841 15.930 1.00 40.55 ATOM 2101 HD12 LEU 126 8.444 -43.678 16.030 1.00 3.55 ATOM 2102 HD13 LEU 126 8.278 -42.051 16.689 1.00 10.03 ATOM 2103 CD2 LEU 126 8.605 -43.908 18.724 1.00 3.11 ATOM 2104 HD21 LEU 126 9.130 -42.995 18.966 1.00 62.24 ATOM 2105 HD22 LEU 126 9.262 -44.562 18.167 1.00 41.45 ATOM 2106 HD23 LEU 126 8.300 -44.400 19.636 1.00 14.51 ATOM 2107 C LEU 126 5.120 -42.073 20.683 1.00 53.43 ATOM 2108 O LEU 126 5.726 -41.384 21.510 1.00 2.33 ATOM 2109 N SER 127 3.834 -41.883 20.401 1.00 45.05 ATOM 2110 HN SER 127 3.372 -42.510 19.809 1.00 37.29 ATOM 2111 CA SER 127 3.096 -40.745 20.963 1.00 1.22 ATOM 2112 HA SER 127 3.462 -40.577 21.965 1.00 42.53 ATOM 2113 CB SER 127 3.370 -39.489 20.124 1.00 10.41 ATOM 2114 HB1 SER 127 4.434 -39.298 20.102 1.00 37.29 ATOM 2115 HB2 SER 127 2.865 -38.642 20.567 1.00 2.41 ATOM 2116 OG SER 127 2.909 -39.644 18.787 1.00 11.42 ATOM 2117 HG SER 127 3.568 -40.121 18.261 1.00 31.40 ATOM 2118 C SER 127 1.580 -40.995 21.035 1.00 64.10 ATOM 2119 O SER 127 1.061 -41.959 20.466 1.00 0.00 ATOM 2120 N ASN 128 0.882 -40.115 21.758 1.00 44.34 ATOM 2121 HN ASN 128 1.367 -39.405 22.227 1.00 37.29 ATOM 2122 CA ASN 128 -0.581 -40.176 21.897 1.00 21.10 ATOM 2123 HA ASN 128 -0.909 -41.181 21.666 1.00 72.33 ATOM 2124 CB ASN 128 -0.987 -39.828 23.335 1.00 64.32 ATOM 2125 HB1 ASN 128 -2.048 -39.997 23.451 1.00 37.29 ATOM 2126 HB2 ASN 128 -0.778 -38.785 23.516 1.00 52.31 ATOM 2127 CG ASN 128 -0.258 -40.648 24.380 1.00 3.51 ATOM 2128 OD1 ASN 128 0.021 -41.828 24.190 1.00 13.54 ATOM 2129 ND2 ASN 128 0.063 -40.021 25.493 1.00 22.55 ATOM 2130 HD21 ASN 128 -0.182 -39.077 25.579 1.00 43.03 ATOM 2131 HD22 ASN 128 0.540 -40.520 26.181 1.00 55.03 ATOM 2132 C ASN 128 -1.276 -39.179 20.950 1.00 11.21 ATOM 2133 O ASN 128 -0.731 -38.114 20.644 1.00 31.21 ATOM 2134 N PRO 129 -2.511 -39.486 20.504 1.00 21.42 ATOM 2135 CA PRO 129 -3.307 -38.555 19.681 1.00 73.10 ATOM 2136 HA PRO 129 -2.794 -38.308 18.760 1.00 13.12 ATOM 2137 CB PRO 129 -4.582 -39.356 19.361 1.00 1.40 ATOM 2138 HB1 PRO 129 -4.499 -39.795 18.376 1.00 37.29 ATOM 2139 HB2 PRO 129 -5.444 -38.702 19.394 1.00 64.34 ATOM 2140 CG PRO 129 -4.652 -40.407 20.420 1.00 14.15 ATOM 2141 HG1 PRO 129 -5.174 -41.277 20.045 1.00 37.29 ATOM 2142 HG2 PRO 129 -5.157 -40.017 21.295 1.00 22.15 ATOM 2143 CD PRO 129 -3.225 -40.753 20.750 1.00 10.35 ATOM 2144 HD1 PRO 129 -2.860 -41.535 20.099 1.00 37.29 ATOM 2145 HD2 PRO 129 -3.137 -41.050 21.785 1.00 71.21 ATOM 2146 C PRO 129 -3.652 -37.254 20.433 1.00 74.31 ATOM 2147 O PRO 129 -3.845 -36.203 19.822 1.00 62.32 ATOM 2148 N ASN 130 -3.721 -37.335 21.766 1.00 41.50 ATOM 2149 HN ASN 130 -3.553 -38.196 22.194 1.00 37.29 ATOM 2150 CA ASN 130 -4.043 -36.171 22.603 1.00 4.53 ATOM 2151 HA ASN 130 -4.891 -35.672 22.153 1.00 73.35 ATOM 2152 CB ASN 130 -4.436 -36.620 24.017 1.00 71.11 ATOM 2153 HB1 ASN 130 -4.629 -35.748 24.628 1.00 37.29 ATOM 2154 HB2 ASN 130 -3.622 -37.183 24.451 1.00 51.42 ATOM 2155 CG ASN 130 -5.681 -37.490 24.015 1.00 21.05 ATOM 2156 OD1 ASN 130 -6.802 -36.991 24.048 1.00 21.23 ATOM 2157 ND2 ASN 130 -5.500 -38.795 23.997 1.00 54.45 ATOM 2158 HD21 ASN 130 -4.584 -39.137 23.992 1.00 11.02 ATOM 2159 HD22 ASN 130 -6.294 -39.368 23.993 1.00 21.32 ATOM 2160 C ASN 130 -2.871 -35.177 22.666 1.00 14.11 ATOM 2161 O ASN 130 -3.018 -34.011 22.296 1.00 51.33 ATOM 2162 N GLU 131 -1.706 -35.642 23.130 1.00 13.43 ATOM 2163 HN GLU 131 -1.653 -36.570 23.441 1.00 37.29 ATOM 2164 CA GLU 131 -0.504 -34.795 23.209 1.00 15.15 ATOM 2165 HA GLU 131 -0.717 -34.007 23.917 1.00 31.11 ATOM 2166 CB GLU 131 0.705 -35.597 23.719 1.00 52.13 ATOM 2167 HB1 GLU 131 0.459 -36.015 24.684 1.00 37.29 ATOM 2168 HB2 GLU 131 1.543 -34.925 23.837 1.00 53.14 ATOM 2169 CG GLU 131 1.137 -36.737 22.804 1.00 40.43 ATOM 2170 HG1 GLU 131 1.358 -36.334 21.827 1.00 37.29 ATOM 2171 HG2 GLU 131 0.324 -37.445 22.722 1.00 34.25 ATOM 2172 CD GLU 131 2.368 -37.464 23.321 1.00 31.33 ATOM 2173 OE1 GLU 131 2.221 -38.565 23.886 1.00 73.52 ATOM 2174 OE2 GLU 131 3.487 -36.933 23.177 1.00 22.31 ATOM 2175 C GLU 131 -0.178 -34.145 21.853 1.00 45.44 ATOM 2176 O GLU 131 0.350 -33.031 21.802 1.00 63.51 ATOM 2177 N LEU 132 -0.482 -34.855 20.762 1.00 53.01 ATOM 2178 HN LEU 132 -0.800 -35.779 20.872 1.00 37.29 ATOM 2179 CA LEU 132 -0.332 -34.311 19.404 1.00 15.34 ATOM 2180 HA LEU 132 0.726 -34.197 19.214 1.00 54.11 ATOM 2181 CB LEU 132 -0.921 -35.290 18.374 1.00 4.24 ATOM 2182 HB1 LEU 132 -1.957 -35.467 18.629 1.00 37.29 ATOM 2183 HB2 LEU 132 -0.387 -36.227 18.457 1.00 3.44 ATOM 2184 CG LEU 132 -0.860 -34.826 16.905 1.00 65.04 ATOM 2185 HG LEU 132 -1.377 -33.880 16.815 1.00 51.21 ATOM 2186 CD1 LEU 132 0.583 -34.609 16.459 1.00 74.44 ATOM 2187 HD11 LEU 132 1.131 -35.538 16.535 1.00 11.05 ATOM 2188 HD12 LEU 132 1.048 -33.867 17.091 1.00 72.31 ATOM 2189 HD13 LEU 132 0.597 -34.265 15.434 1.00 12.25 ATOM 2190 CD2 LEU 132 -1.562 -35.831 15.993 1.00 64.11 ATOM 2191 HD21 LEU 132 -2.595 -35.929 16.292 1.00 44.50 ATOM 2192 HD22 LEU 132 -1.073 -36.792 16.067 1.00 62.31 ATOM 2193 HD23 LEU 132 -1.516 -35.484 14.970 1.00 73.21 ATOM 2194 C LEU 132 -1.011 -32.935 19.262 1.00 72.23 ATOM 2195 O LEU 132 -0.427 -31.997 18.714 1.00 12.42 ATOM 2196 N GLN 133 -2.241 -32.822 19.765 1.00 22.53 ATOM 2197 HN GLN 133 -2.651 -33.601 20.199 1.00 37.29 ATOM 2198 CA GLN 133 -2.997 -31.564 19.695 1.00 13.33 ATOM 2199 HA GLN 133 -3.123 -31.316 18.650 1.00 60.44 ATOM 2200 CB GLN 133 -4.384 -31.745 20.333 1.00 21.44 ATOM 2201 HB1 GLN 133 -4.254 -32.013 21.373 1.00 37.29 ATOM 2202 HB2 GLN 133 -4.894 -32.554 19.830 1.00 32.33 ATOM 2203 CG GLN 133 -5.278 -30.505 20.267 1.00 61.12 ATOM 2204 HG1 GLN 133 -4.802 -29.704 20.817 1.00 37.29 ATOM 2205 HG2 GLN 133 -6.227 -30.737 20.728 1.00 55.23 ATOM 2206 CD GLN 133 -5.538 -30.028 18.846 1.00 45.23 ATOM 2207 OE1 GLN 133 -6.478 -30.465 18.188 1.00 54.14 ATOM 2208 NE2 GLN 133 -4.723 -29.113 18.367 1.00 1.40 ATOM 2209 HE21 GLN 133 -3.999 -28.787 18.947 1.00 43.02 ATOM 2210 HE22 GLN 133 -4.877 -28.793 17.458 1.00 15.44 ATOM 2211 C GLN 133 -2.233 -30.420 20.383 1.00 0.13 ATOM 2212 O GLN 133 -2.113 -29.321 19.835 1.00 33.40 ATOM 2213 N ALA 134 -1.700 -30.697 21.574 1.00 60.52 ATOM 2214 HN ALA 134 -1.848 -31.584 21.963 1.00 37.29 ATOM 2215 CA ALA 134 -0.903 -29.715 22.320 1.00 62.25 ATOM 2216 HA ALA 134 -1.506 -28.825 22.444 1.00 41.14 ATOM 2217 CB ALA 134 -0.568 -30.257 23.707 1.00 0.32 ATOM 2218 HB1 ALA 134 -0.023 -29.510 24.265 1.00 61.34 ATOM 2219 HB2 ALA 134 0.039 -31.147 23.611 1.00 35.31 ATOM 2220 HB3 ALA 134 -1.481 -30.501 24.231 1.00 53.41 ATOM 2221 C ALA 134 0.383 -29.340 21.563 1.00 32.11 ATOM 2222 O ALA 134 0.782 -28.172 21.533 1.00 52.10 ATOM 2223 N ALA 135 1.019 -30.338 20.946 1.00 54.32 ATOM 2224 HN ALA 135 0.665 -31.250 21.033 1.00 37.29 ATOM 2225 CA ALA 135 2.231 -30.123 20.144 1.00 72.22 ATOM 2226 HA ALA 135 3.006 -29.741 20.795 1.00 44.10 ATOM 2227 CB ALA 135 2.706 -31.449 19.558 1.00 65.12 ATOM 2228 HB1 ALA 135 3.622 -31.294 19.006 1.00 71.22 ATOM 2229 HB2 ALA 135 1.946 -31.841 18.890 1.00 75.12 ATOM 2230 HB3 ALA 135 2.882 -32.155 20.357 1.00 72.43 ATOM 2231 C ALA 135 1.981 -29.119 19.010 1.00 33.13 ATOM 2232 O ALA 135 2.771 -28.199 18.777 1.00 13.31 ATOM 2233 N ILE 136 0.866 -29.307 18.314 1.00 35.13 ATOM 2234 HN ILE 136 0.263 -30.034 18.581 1.00 37.29 ATOM 2235 CA ILE 136 0.494 -28.460 17.179 1.00 14.23 ATOM 2236 HA ILE 136 1.347 -28.381 16.518 1.00 42.23 ATOM 2237 CB ILE 136 -0.680 -29.093 16.401 1.00 20.33 ATOM 2238 HB ILE 136 -1.535 -29.138 17.066 1.00 31.22 ATOM 2239 CG1 ILE 136 -0.304 -30.520 15.966 1.00 74.14 ATOM 2240 HG11 ILE 136 0.121 -31.046 16.810 1.00 37.29 ATOM 2241 HG12 ILE 136 0.433 -30.468 15.179 1.00 54.42 ATOM 2242 CG2 ILE 136 -1.065 -28.232 15.192 1.00 53.50 ATOM 2243 HG21 ILE 136 -1.380 -27.254 15.529 1.00 70.51 ATOM 2244 HG22 ILE 136 -1.876 -28.703 14.654 1.00 62.31 ATOM 2245 HG23 ILE 136 -0.213 -28.127 14.535 1.00 4.32 ATOM 2246 CD1 ILE 136 -1.466 -31.338 15.453 1.00 52.12 ATOM 2247 HD11 ILE 136 -2.230 -31.394 16.214 1.00 24.42 ATOM 2248 HD12 ILE 136 -1.122 -32.334 15.217 1.00 4.35 ATOM 2249 HD13 ILE 136 -1.872 -30.875 14.566 1.00 64.31 ATOM 2250 C ILE 136 0.089 -27.063 17.653 1.00 24.31 ATOM 2251 O ILE 136 0.492 -26.048 17.076 1.00 61.53 ATOM 2252 N ASP 137 -0.710 -27.030 18.713 1.00 15.32 ATOM 2253 HN ASP 137 -1.029 -27.879 19.092 1.00 37.29 ATOM 2254 CA ASP 137 -1.135 -25.782 19.337 1.00 54.11 ATOM 2255 HA ASP 137 -1.732 -25.243 18.615 1.00 34.31 ATOM 2256 CB ASP 137 -1.996 -26.091 20.563 1.00 50.32 ATOM 2257 HB1 ASP 137 -1.766 -25.395 21.347 1.00 37.29 ATOM 2258 HB2 ASP 137 -1.774 -27.090 20.905 1.00 32.22 ATOM 2259 CG ASP 137 -3.476 -26.005 20.256 1.00 13.04 ATOM 2260 OD1 ASP 137 -4.137 -27.053 20.154 1.00 21.12 ATOM 2261 OD2 ASP 137 -3.983 -24.876 20.086 1.00 14.51 ATOM 2262 C ASP 137 0.061 -24.906 19.730 1.00 1.21 ATOM 2263 O ASP 137 0.084 -23.708 19.443 1.00 31.54 ATOM 2264 N SER 138 1.053 -25.517 20.375 1.00 41.32 ATOM 2265 HN SER 138 0.965 -26.471 20.582 1.00 37.29 ATOM 2266 CA SER 138 2.269 -24.804 20.796 1.00 3.22 ATOM 2267 HA SER 138 1.984 -24.095 21.561 1.00 15.42 ATOM 2268 CB SER 138 3.293 -25.786 21.388 1.00 22.02 ATOM 2269 HB1 SER 138 4.184 -25.244 21.675 1.00 37.29 ATOM 2270 HB2 SER 138 3.549 -26.528 20.646 1.00 55.41 ATOM 2271 OG SER 138 2.779 -26.454 22.533 1.00 43.12 ATOM 2272 HG SER 138 2.241 -27.203 22.253 1.00 62.14 ATOM 2273 C SER 138 2.913 -24.038 19.630 1.00 25.32 ATOM 2274 O SER 138 3.407 -22.926 19.805 1.00 41.52 ATOM 2275 N ASN 139 2.889 -24.637 18.439 1.00 72.15 ATOM 2276 HN ASN 139 2.443 -25.505 18.357 1.00 37.29 ATOM 2277 CA ASN 139 3.504 -24.033 17.250 1.00 43.31 ATOM 2278 HA ASN 139 4.411 -23.537 17.574 1.00 55.14 ATOM 2279 CB ASN 139 3.883 -25.123 16.243 1.00 21.30 ATOM 2280 HB1 ASN 139 4.084 -24.670 15.283 1.00 37.29 ATOM 2281 HB2 ASN 139 3.060 -25.817 16.142 1.00 61.43 ATOM 2282 CG ASN 139 5.114 -25.894 16.678 1.00 21.44 ATOM 2283 OD1 ASN 139 6.232 -25.533 16.340 1.00 1.33 ATOM 2284 ND2 ASN 139 4.925 -26.950 17.440 1.00 30.42 ATOM 2285 HD21 ASN 139 4.008 -27.188 17.689 1.00 40.52 ATOM 2286 HD22 ASN 139 5.714 -27.458 17.724 1.00 73.52 ATOM 2287 C ASN 139 2.599 -22.982 16.582 1.00 1.22 ATOM 2288 O ASN 139 3.046 -21.871 16.288 1.00 20.12 ATOM 2289 N ARG 140 1.331 -23.330 16.335 1.00 41.33 ATOM 2290 HN ARG 140 1.018 -24.220 16.605 1.00 37.29 ATOM 2291 CA ARG 140 0.395 -22.405 15.666 1.00 31.42 ATOM 2292 HA ARG 140 0.867 -22.090 14.744 1.00 5.32 ATOM 2293 CB ARG 140 -0.932 -23.110 15.312 1.00 52.40 ATOM 2294 HB1 ARG 140 -0.706 -23.976 14.706 1.00 37.29 ATOM 2295 HB2 ARG 140 -1.536 -22.430 14.728 1.00 63.15 ATOM 2296 CG ARG 140 -1.768 -23.576 16.507 1.00 71.13 ATOM 2297 HG1 ARG 140 -1.951 -22.733 17.160 1.00 37.29 ATOM 2298 HG2 ARG 140 -1.221 -24.338 17.043 1.00 40.30 ATOM 2299 CD ARG 140 -3.111 -24.157 16.053 1.00 13.31 ATOM 2300 HD1 ARG 140 -2.922 -24.947 15.338 1.00 37.29 ATOM 2301 HD2 ARG 140 -3.682 -23.373 15.574 1.00 63.01 ATOM 2302 NE ARG 140 -3.900 -24.700 17.161 1.00 23.33 ATOM 2303 HE ARG 140 -3.470 -24.766 18.037 1.00 11.10 ATOM 2304 CZ ARG 140 -5.137 -25.122 17.049 1.00 1.24 ATOM 2305 NH1 ARG 140 -5.770 -25.023 15.924 1.00 32.12 ATOM 2306 HH11 ARG 140 -5.319 -24.626 15.132 1.00 73.32 ATOM 2307 HH12 ARG 140 -6.715 -25.340 15.856 1.00 63.02 ATOM 2308 NH2 ARG 140 -5.742 -25.633 18.072 1.00 14.41 ATOM 2309 HH21 ARG 140 -5.265 -25.708 18.949 1.00 33.24 ATOM 2310 HH22 ARG 140 -6.681 -25.956 17.985 1.00 74.05 ATOM 2311 C ARG 140 0.130 -21.147 16.513 1.00 0.43 ATOM 2312 O ARG 140 -0.270 -20.101 15.995 1.00 54.12 ATOM 2313 N ARG 141 0.350 -21.266 17.819 1.00 33.11 ATOM 2314 HN ARG 141 0.639 -22.135 18.171 1.00 37.29 ATOM 2315 CA ARG 141 0.171 -20.152 18.757 1.00 34.52 ATOM 2316 HA ARG 141 -0.796 -19.708 18.568 1.00 13.12 ATOM 2317 CB ARG 141 0.191 -20.706 20.192 1.00 51.44 ATOM 2318 HB1 ARG 141 1.146 -21.186 20.361 1.00 37.29 ATOM 2319 HB2 ARG 141 -0.589 -21.449 20.283 1.00 54.42 ATOM 2320 CG ARG 141 -0.020 -19.665 21.291 1.00 64.35 ATOM 2321 HG1 ARG 141 -0.958 -19.155 21.119 1.00 37.29 ATOM 2322 HG2 ARG 141 0.792 -18.953 21.261 1.00 73.20 ATOM 2323 CD ARG 141 -0.054 -20.320 22.670 1.00 42.32 ATOM 2324 HD1 ARG 141 0.868 -20.865 22.818 1.00 37.29 ATOM 2325 HD2 ARG 141 -0.885 -21.010 22.706 1.00 75.00 ATOM 2326 NE ARG 141 -0.204 -19.348 23.751 1.00 31.22 ATOM 2327 HE ARG 141 -0.051 -18.405 23.541 1.00 73.24 ATOM 2328 CZ ARG 141 -0.514 -19.666 24.978 1.00 13.41 ATOM 2329 NH1 ARG 141 -0.712 -20.902 25.312 1.00 33.44 ATOM 2330 HH11 ARG 141 -0.629 -21.623 24.629 1.00 23.33 ATOM 2331 HH12 ARG 141 -0.945 -21.131 26.256 1.00 10.04 ATOM 2332 NH2 ARG 141 -0.619 -18.746 25.875 1.00 30.24 ATOM 2333 HH21 ARG 141 -0.463 -17.791 25.629 1.00 13.35 ATOM 2334 HH22 ARG 141 -0.849 -18.993 26.815 1.00 53.50 ATOM 2335 C ARG 141 1.258 -19.067 18.589 1.00 74.22 ATOM 2336 O ARG 141 1.053 -17.914 18.964 1.00 53.34 ATOM 2337 N GLU 142 2.400 -19.432 18.004 1.00 60.24 ATOM 2338 HN GLU 142 2.464 -20.326 17.605 1.00 37.29 ATOM 2339 CA GLU 142 3.565 -18.529 17.932 1.00 21.34 ATOM 2340 HA GLU 142 3.548 -17.898 18.809 1.00 71.31 ATOM 2341 CB GLU 142 4.869 -19.343 17.940 1.00 13.31 ATOM 2342 HB1 GLU 142 5.705 -18.657 17.964 1.00 37.29 ATOM 2343 HB2 GLU 142 4.922 -19.919 17.027 1.00 15.31 ATOM 2344 CG GLU 142 5.011 -20.305 19.112 1.00 63.53 ATOM 2345 HG1 GLU 142 4.230 -21.049 19.050 1.00 37.29 ATOM 2346 HG2 GLU 142 4.900 -19.748 20.032 1.00 64.24 ATOM 2347 CD GLU 142 6.360 -21.012 19.129 1.00 24.12 ATOM 2348 OE1 GLU 142 6.637 -21.813 18.207 1.00 73.52 ATOM 2349 OE2 GLU 142 7.154 -20.772 20.064 1.00 61.02 ATOM 2350 C GLU 142 3.571 -17.633 16.676 1.00 30.43 ATOM 2351 O GLU 142 3.067 -18.014 15.619 1.00 72.34 ATOM 2352 N GLY 143 4.162 -16.442 16.812 1.00 31.20 ATOM 2353 HN GLY 143 4.367 -16.116 17.713 1.00 37.29 ATOM 2354 CA GLY 143 4.510 -15.619 15.653 1.00 65.35 ATOM 2355 HA1 GLY 143 4.906 -16.268 14.882 1.00 37.29 ATOM 2356 HA2 GLY 143 5.293 -14.936 15.950 1.00 42.11 ATOM 2357 C GLY 143 3.366 -14.796 15.056 1.00 11.23 ATOM 2358 O GLY 143 2.972 -15.026 13.911 1.00 53.14 ATOM 2359 N ARG 144 2.845 -13.827 15.821 1.00 25.45 ATOM 2360 HN ARG 144 3.111 -13.769 16.763 1.00 37.29 ATOM 2361 CA ARG 144 1.882 -12.840 15.292 1.00 63.52 ATOM 2362 HA ARG 144 2.385 -12.283 14.514 1.00 23.52 ATOM 2363 CB ARG 144 0.633 -13.511 14.687 1.00 11.53 ATOM 2364 HB1 ARG 144 0.950 -14.212 13.928 1.00 37.29 ATOM 2365 HB2 ARG 144 0.026 -12.748 14.220 1.00 73.13 ATOM 2366 CG ARG 144 -0.236 -14.262 15.698 1.00 24.54 ATOM 2367 HG1 ARG 144 -0.182 -13.759 16.654 1.00 37.29 ATOM 2368 HG2 ARG 144 0.138 -15.271 15.802 1.00 41.13 ATOM 2369 CD ARG 144 -1.695 -14.316 15.250 1.00 42.31 ATOM 2370 HD1 ARG 144 -2.255 -14.914 15.955 1.00 37.29 ATOM 2371 HD2 ARG 144 -1.744 -14.772 14.271 1.00 2.21 ATOM 2372 NE ARG 144 -2.284 -12.974 15.190 1.00 52.31 ATOM 2373 HE ARG 144 -2.058 -12.352 15.911 1.00 34.04 ATOM 2374 CZ ARG 144 -3.073 -12.549 14.240 1.00 63.22 ATOM 2375 NH1 ARG 144 -3.429 -13.333 13.272 1.00 1.22 ATOM 2376 HH11 ARG 144 -3.103 -14.274 13.248 1.00 5.45 ATOM 2377 HH12 ARG 144 -4.022 -12.991 12.552 1.00 13.30 ATOM 2378 NH2 ARG 144 -3.507 -11.330 14.263 1.00 15.30 ATOM 2379 HH21 ARG 144 -3.231 -10.715 15.005 1.00 63.44 ATOM 2380 HH22 ARG 144 -4.117 -11.005 13.543 1.00 63.54 ATOM 2381 C ARG 144 1.421 -11.849 16.370 1.00 25.43 ATOM 2382 O ARG 144 1.734 -11.995 17.553 1.00 21.43 ATOM 2383 N ARG 145 0.679 -10.831 15.936 1.00 32.24 ATOM 2384 HN ARG 145 0.608 -10.676 14.969 1.00 37.29 ATOM 2385 HA ARG 145 0.195 -10.227 17.867 1.00 51.35 ATOM 2386 CB ARG 145 0.422 -8.469 16.649 1.00 31.50 ATOM 2387 HB1 ARG 145 -0.176 -7.828 17.283 1.00 37.29 ATOM 2388 HB2 ARG 145 0.251 -8.194 15.617 1.00 73.10 ATOM 2389 CG ARG 145 1.893 -8.219 16.969 1.00 2.12 ATOM 2390 HG1 ARG 145 2.504 -8.800 16.290 1.00 37.29 ATOM 2391 HG2 ARG 145 2.090 -8.527 17.986 1.00 40.45 ATOM 2392 CD ARG 145 2.253 -6.742 16.818 1.00 44.13 ATOM 2393 HD1 ARG 145 2.054 -6.438 15.799 1.00 37.29 ATOM 2394 HD2 ARG 145 3.307 -6.619 17.028 1.00 65.12 ATOM 2395 NE ARG 145 1.489 -5.889 17.731 1.00 43.44 ATOM 2396 HE ARG 145 1.544 -6.091 18.688 1.00 50.42 ATOM 2397 CZ ARG 145 0.758 -4.870 17.355 1.00 4.43 ATOM 2398 NH1 ARG 145 0.655 -4.551 16.102 1.00 21.22 ATOM 2399 HH11 ARG 145 1.135 -5.081 15.409 1.00 55.35 ATOM 2400 HH12 ARG 145 0.092 -3.770 15.837 1.00 1.24 ATOM 2401 NH2 ARG 145 0.126 -4.165 18.235 1.00 74.24 ATOM 2402 HH21 ARG 145 0.196 -4.394 19.205 1.00 65.13 ATOM 2403 HH22 ARG 145 -0.436 -3.394 17.939 1.00 32.32 ATOM 2404 CA ARG 145 -0.032 -9.925 16.851 1.00 72.10 ATOM 2405 C ARG 145 -1.553 -10.040 16.630 1.00 33.24 ATOM 2406 OT1 ARG 145 -2.201 -10.861 17.312 1.00 37.29 ATOM 2407 OT2 ARG 145 -2.090 -9.342 15.740 1.00 37.29 ATOM 2408 OH2 TIP3 1 -2.376 -49.685 -19.307 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.062 -49.107 -18.915 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.511 -49.596 -20.273 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -2.243 -49.578 -22.069 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -1.928 -50.504 -22.084 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -1.415 -49.046 -22.098 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -7.359 -50.228 -5.409 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.561 -50.121 -5.974 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -8.104 -50.245 -6.051 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -6.262 -52.048 -3.720 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.866 -52.813 -3.616 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.757 -51.426 -4.304 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.890 -51.294 -8.890 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -6.598 -50.857 -9.699 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -6.277 -50.961 -8.206 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -4.615 -54.752 -0.187 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -4.609 -55.230 -1.038 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -4.840 -53.829 -0.438 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -2.652 -56.622 -4.067 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.076 -56.243 -4.859 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -3.289 -56.452 -3.356 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.518 -55.013 -7.301 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -6.659 -54.880 -7.752 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -7.401 -55.827 -6.806 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -11.927 -50.461 0.672 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -11.030 -50.180 0.913 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -12.019 -51.351 1.081 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -4.443 -58.757 3.373 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -5.187 -59.350 3.226 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -4.680 -57.946 2.873 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -5.059 -55.508 -2.949 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.943 -55.486 -3.920 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -5.971 -55.178 -2.814 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.311 -53.243 -1.578 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.794 -53.843 -0.979 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.484 -53.040 -1.093 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -10.875 -51.048 -3.236 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -11.235 -51.458 -4.032 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -10.690 -51.806 -2.638 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -7.583 -54.271 -2.760 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -8.490 -54.426 -3.057 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -7.688 -53.886 -1.864 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -1.562 -50.557 -13.924 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -0.710 -50.275 -14.334 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -1.877 -51.263 -14.501 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -4.839 -47.637 -8.141 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -4.220 -46.889 -8.071 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -4.704 -47.976 -9.061 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -11.980 -49.306 4.104 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -11.450 -50.137 4.085 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -12.306 -49.252 5.034 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -8.829 -51.201 1.559 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -9.272 -51.448 2.395 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -8.970 -50.240 1.494 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -7.885 -52.916 -0.329 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -6.934 -52.702 -0.407 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -8.207 -52.316 0.387 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -9.895 -59.392 4.740 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -9.888 -60.226 4.263 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -9.074 -59.417 5.278 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -4.726 -56.380 2.055 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -4.896 -55.850 1.247 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -3.756 -56.296 2.194 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -0.061 -53.199 -6.191 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 0.174 -53.752 -5.419 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 0.788 -52.980 -6.589 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -4.443 -55.171 -5.693 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -4.628 -55.146 -6.657 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -4.204 -54.244 -5.473 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -5.310 -52.285 -1.149 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -5.217 -51.349 -0.854 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -5.583 -52.208 -2.089 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -2.230 -56.022 2.922 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -1.498 -55.617 2.416 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -1.860 -56.871 3.242 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -1.731 -58.707 3.575 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -2.682 -58.848 3.369 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -1.659 -58.946 4.519 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -10.019 -48.752 1.989 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -9.417 -48.142 2.466 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -10.770 -48.873 2.603 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -9.103 -46.580 -2.515 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -9.187 -47.469 -2.948 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -9.571 -46.688 -1.657 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -3.969 -47.961 -17.801 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -4.334 -48.344 -16.987 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -3.061 -47.672 -17.540 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -7.702 -56.056 8.352 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -8.539 -56.312 8.751 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -7.413 -55.275 8.877 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.686 -52.763 8.486 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -4.241 -53.381 9.100 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -4.087 -52.731 7.710 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -10.868 -49.153 8.643 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -10.509 -49.074 7.727 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -11.805 -49.359 8.506 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -6.916 -53.778 9.597 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -6.178 -53.419 9.049 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -6.724 -53.438 10.496 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -1.420 -54.282 11.554 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -0.934 -53.495 11.917 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -2.213 -54.344 12.119 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -8.427 -50.232 9.440 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -8.526 -50.469 10.374 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -9.308 -49.888 9.184 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.771 -52.571 11.829 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -6.507 -52.229 12.394 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -5.249 -51.781 11.619 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -12.076 -57.699 4.646 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -12.530 -58.061 5.409 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -11.252 -58.231 4.582 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -5.679 -56.394 6.585 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -5.640 -57.361 6.444 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -6.485 -56.264 7.140 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -5.772 -49.114 9.359 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -5.240 -49.488 8.638 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -6.612 -49.612 9.322 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -7.609 -59.774 6.243 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -7.782 -60.188 7.092 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -6.661 -59.538 6.281 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -8.846 -52.605 8.037 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -8.711 -51.707 8.395 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -8.241 -53.162 8.565 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -3.254 -52.925 17.736 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -3.702 -52.365 17.067 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -2.563 -52.346 18.103 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -2.517 -56.007 6.255 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -2.709 -56.640 6.967 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -1.585 -56.192 6.013 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -2.656 -49.025 17.900 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -2.429 -48.412 18.615 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -2.234 -49.866 18.164 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -12.608 -55.838 2.698 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -12.474 -56.550 3.362 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -13.166 -55.180 3.164 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -3.689 -54.713 10.153 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -4.157 -54.560 10.991 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -2.753 -54.493 10.359 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -9.996 -53.362 5.684 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -9.888 -54.314 5.755 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -9.637 -53.016 6.536 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -6.882 -50.948 15.883 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -5.918 -51.138 15.811 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -7.163 -51.447 16.659 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -1.183 -58.103 9.093 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -2.069 -57.712 8.950 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -0.759 -57.501 9.752 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -2.427 -55.491 17.431 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -2.754 -54.579 17.610 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -2.469 -55.568 16.455 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -18.777 -53.494 5.496 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -19.649 -53.259 5.826 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -18.833 -54.438 5.323 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -15.579 -49.709 5.292 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -15.654 -49.576 4.340 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -15.845 -48.841 5.678 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -4.188 -49.781 13.152 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -4.155 -49.363 14.032 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -3.491 -50.477 13.190 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -12.146 -52.811 2.009 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -11.813 -53.568 1.480 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -12.868 -53.198 2.552 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -13.835 -53.804 4.003 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -14.757 -53.497 4.173 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -13.360 -53.577 4.810 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -16.180 -52.657 4.845 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -17.106 -52.893 5.061 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -16.088 -51.741 5.159 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -10.502 -51.553 3.734 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -10.276 -52.170 4.471 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -11.102 -52.079 3.158 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -11.007 -54.943 0.694 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -11.646 -55.427 1.274 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -10.149 -55.305 0.939 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -11.832 -46.650 3.569 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -12.258 -46.234 4.327 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -11.873 -47.607 3.768 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -3.729 -56.945 8.562 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -4.447 -56.706 7.942 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -3.725 -56.205 9.214 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -3.743 -54.020 13.031 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -4.620 -53.667 12.772 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -3.242 -53.214 13.330 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -1.817 -58.887 6.374 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -1.597 -59.027 7.308 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -1.187 -58.190 6.084 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -4.920 -59.055 6.625 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -4.452 -58.935 7.466 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -4.205 -59.145 5.967 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -7.726 -51.460 13.311 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -8.388 -50.748 13.182 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -7.454 -51.361 14.245 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -9.305 -49.239 13.116 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -10.009 -48.801 12.606 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -8.878 -48.518 13.598 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.135 -47.665 11.648 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -4.757 -48.368 12.227 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -5.334 -48.137 10.808 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.183 -51.274 15.805 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -4.081 -50.301 15.828 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.605 -51.557 15.054 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 1.116 -49.335 21.812 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 0.518 -49.058 21.081 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 1.594 -48.509 22.053 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -1.903 -44.898 -23.231 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.480 -45.686 -23.330 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -1.058 -45.263 -22.911 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -4.675 -40.190 -19.216 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -5.349 -39.791 -19.775 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -5.187 -40.568 -18.456 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -1.261 -39.154 -20.675 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -1.830 -38.786 -21.362 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -0.358 -39.049 -21.034 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -1.882 -31.179 -19.999 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -2.568 -31.827 -19.809 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -2.332 -30.495 -20.502 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -6.194 -41.151 -17.215 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -6.626 -40.629 -16.501 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -6.126 -42.037 -16.849 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -0.873 -35.087 -15.779 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -1.532 -35.790 -15.945 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -0.013 -35.540 -15.899 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -2.447 -41.611 -19.998 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -3.315 -41.225 -19.752 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -1.869 -40.834 -20.118 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -7.200 -39.954 -14.999 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -6.422 -39.869 -14.408 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -7.914 -39.536 -14.511 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -3.708 -33.920 -13.499 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.043 -33.015 -13.685 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -4.511 -34.432 -13.289 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -1.264 -38.706 -24.337 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -1.451 -39.661 -24.491 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.852 -38.251 -24.945 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -1.850 -37.697 -15.897 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -2.114 -38.187 -16.716 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -0.871 -37.708 -15.920 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -3.181 -48.596 -15.057 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.656 -49.253 -14.556 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -2.525 -48.165 -15.643 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -1.542 -47.286 -16.820 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -0.570 -47.421 -16.957 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -1.602 -46.404 -16.391 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -3.297 -47.305 -23.346 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.110 -47.612 -23.754 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -2.956 -48.088 -22.871 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -7.121 -38.985 -5.937 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -6.180 -38.808 -6.135 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -7.337 -39.769 -6.481 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -7.773 -41.236 -7.565 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -8.249 -41.731 -6.858 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -7.423 -41.929 -8.143 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.795 -37.127 -8.868 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -5.531 -37.767 -9.005 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.009 -37.608 -9.159 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -8.317 -38.285 -3.656 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -9.095 -38.864 -3.532 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -7.940 -38.573 -4.522 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -5.283 -43.745 -7.898 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -4.515 -44.357 -7.922 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -6.006 -44.258 -8.290 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -7.274 -44.975 -3.889 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -7.844 -44.993 -4.666 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -7.772 -45.476 -3.219 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -1.344 -34.570 -3.161 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -0.491 -34.825 -2.751 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -2.004 -35.096 -2.677 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -9.011 -52.770 -7.989 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -8.653 -53.646 -7.739 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -8.263 -52.330 -8.448 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -4.719 -37.626 -6.159 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -5.256 -36.984 -5.652 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -4.741 -37.287 -7.075 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -7.360 -31.725 -11.662 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -7.135 -32.446 -12.301 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -8.320 -31.664 -11.705 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -2.827 -36.680 -1.440 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -2.528 -37.599 -1.562 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -3.798 -36.756 -1.364 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -6.719 -37.983 -11.604 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -6.805 -38.414 -10.729 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -6.235 -38.639 -12.147 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -5.145 -33.413 -1.034 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -5.640 -34.098 -1.531 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -5.562 -33.413 -0.155 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -4.941 -43.603 -11.699 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -4.410 -44.328 -12.088 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.502 -42.793 -12.019 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.692 -47.512 -13.030 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -4.191 -46.682 -12.950 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -4.286 -47.961 -13.799 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -4.163 -31.368 -14.153 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -4.920 -30.842 -13.809 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -3.903 -30.905 -14.975 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -10.283 -46.954 -0.082 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -11.260 -46.962 -0.196 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -10.119 -47.636 0.600 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -5.123 -39.554 -13.205 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -4.524 -40.282 -12.925 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -4.512 -38.819 -13.440 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -7.226 -43.429 -10.210 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -6.360 -43.578 -10.666 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -7.695 -42.825 -10.794 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -10.455 -44.182 -0.413 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -11.181 -44.119 0.233 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -10.167 -45.111 -0.351 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.288 -45.674 -9.051 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -9.181 -45.417 -8.804 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -7.939 -44.895 -9.535 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -6.832 -39.539 -1.771 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -7.348 -39.072 -2.467 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -6.387 -40.271 -2.257 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -9.994 -45.280 -4.793 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -10.004 -45.983 -5.489 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -9.838 -45.775 -3.963 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -5.872 -27.748 5.178 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -6.023 -28.596 5.643 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -6.700 -27.607 4.670 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -9.718 -47.377 -6.510 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -8.929 -47.551 -7.063 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -10.065 -48.262 -6.314 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -10.244 -40.241 -3.018 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -10.051 -41.207 -2.957 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -11.140 -40.204 -3.370 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.003 -36.961 0.372 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -7.856 -37.460 1.211 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -8.699 -37.470 -0.082 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -5.599 -35.833 -12.739 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -4.903 -36.376 -13.173 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -6.163 -36.501 -12.274 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -10.725 -40.042 1.848 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -11.140 -40.853 1.537 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -10.244 -39.703 1.064 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -6.647 -35.543 -2.090 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -6.180 -36.237 -1.587 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -7.582 -35.702 -1.897 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -1.006 -35.969 -10.500 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -0.519 -36.812 -10.350 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -1.090 -35.910 -11.477 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -6.500 -35.977 -4.845 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -6.490 -35.762 -3.888 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -7.178 -36.670 -4.923 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.973 -33.632 -13.521 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -7.320 -33.804 -14.401 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -6.591 -34.491 -13.240 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -2.429 -33.392 -0.329 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -3.400 -33.293 -0.409 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -2.093 -33.080 -1.184 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -2.772 -30.008 -16.085 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -2.275 -30.838 -15.910 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -2.137 -29.446 -16.546 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -4.678 -34.734 -10.253 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -5.035 -34.985 -11.123 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -4.780 -35.545 -9.711 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.982 -42.814 -5.565 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -9.062 -42.503 -4.650 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -9.419 -43.689 -5.556 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -10.083 -42.983 -2.898 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.161 -43.310 -1.972 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -10.287 -43.764 -3.441 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -3.323 -30.002 -6.572 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -4.098 -30.349 -6.078 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -3.567 -30.117 -7.510 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -6.410 -34.819 1.315 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -7.096 -35.380 0.903 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -6.270 -35.227 2.203 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -5.653 -33.724 -6.371 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -5.299 -34.118 -7.179 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -6.026 -34.486 -5.876 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -5.377 -37.615 -0.625 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -5.966 -37.321 0.095 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -5.874 -38.361 -1.047 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -5.954 -38.401 4.705 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -6.155 -38.218 5.646 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -5.562 -39.304 4.712 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -3.524 -37.401 -13.708 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -3.104 -37.622 -14.571 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -2.848 -36.856 -13.255 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -9.362 -39.356 -0.490 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -8.418 -39.539 -0.662 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -9.804 -39.597 -1.329 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -3.314 -39.530 -1.143 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -4.067 -38.960 -0.916 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -3.433 -40.320 -0.569 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -12.441 -49.214 -1.674 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -12.312 -49.755 -0.867 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -11.940 -49.689 -2.359 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -12.402 -44.903 1.522 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -12.085 -45.543 2.197 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -12.810 -45.470 0.833 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -13.036 -47.034 -0.127 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -13.010 -47.669 -0.880 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -13.469 -47.540 0.596 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -13.722 -48.758 1.922 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.310 -48.906 2.789 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.369 -49.480 1.367 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 0.903 -35.755 -2.143 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 0.600 -36.615 -2.513 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 1.828 -35.701 -2.407 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -3.288 -41.502 -12.509 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -2.876 -41.557 -11.619 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -2.565 -41.710 -13.116 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -6.451 -39.328 -9.222 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -7.160 -39.754 -8.703 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -5.725 -39.998 -9.225 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -1.976 -44.843 -15.662 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -2.131 -44.365 -16.508 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -1.217 -44.366 -15.252 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -4.629 -41.305 -9.000 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -4.913 -42.167 -8.625 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -3.747 -41.494 -9.382 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -2.988 -45.307 -8.004 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -2.465 -45.274 -7.194 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -2.365 -45.022 -8.701 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -4.452 -45.371 -18.737 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -4.269 -46.287 -18.441 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -5.337 -45.413 -19.102 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -5.201 -31.367 -5.091 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -5.301 -32.236 -5.551 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -6.098 -31.138 -4.825 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -5.439 -32.367 2.288 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -5.739 -33.290 2.168 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -5.057 -32.352 3.191 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -3.541 -32.111 -2.921 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -4.134 -31.805 -3.633 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -4.141 -32.544 -2.280 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -9.094 -48.976 -3.663 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.466 -49.376 -4.298 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -9.744 -49.688 -3.488 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -7.591 -48.139 -8.136 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -6.619 -48.078 -8.050 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.828 -47.361 -8.686 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -3.008 -45.213 -13.060 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -2.822 -45.144 -14.022 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -2.132 -45.277 -12.655 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -9.497 -50.228 -7.115 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -9.543 -51.171 -7.400 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.000 -49.789 -7.828 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -6.039 -31.448 -9.258 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -6.464 -31.533 -10.139 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -6.541 -32.045 -8.695 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -8.575 -39.193 9.443 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -8.456 -38.224 9.486 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -9.153 -39.323 8.660 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -8.529 -42.051 14.852 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -8.289 -42.280 15.778 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -8.674 -42.918 14.424 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -4.431 -37.242 9.007 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -3.586 -37.728 8.976 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -4.836 -37.519 9.863 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -10.938 -35.411 12.964 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -10.591 -35.176 12.090 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.218 -35.929 13.373 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -12.404 -45.937 10.464 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -12.032 -45.207 10.989 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -11.869 -46.712 10.726 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -11.321 -43.912 12.106 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -10.426 -44.171 12.406 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.748 -43.584 12.905 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -8.575 -36.362 9.037 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -9.244 -35.824 8.581 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -8.458 -35.910 9.905 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -5.559 -37.939 11.410 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -6.048 -38.783 11.503 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -5.923 -37.375 12.111 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -10.437 -47.770 11.035 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -10.557 -48.261 10.193 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -9.488 -47.595 11.076 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -3.556 -29.893 7.030 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.519 -29.813 6.843 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -3.520 -30.151 7.955 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -4.765 -34.433 8.779 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -4.677 -35.410 8.793 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -4.162 -34.134 9.471 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -10.246 -39.395 7.288 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -10.423 -39.647 6.357 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -10.952 -39.862 7.801 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -7.971 -42.089 9.161 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -8.692 -42.476 8.639 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -8.165 -41.132 9.166 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -8.713 -36.720 14.012 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -7.746 -36.611 13.882 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -8.843 -37.693 14.017 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -8.300 -32.201 11.468 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.124 -32.344 10.944 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.816 -31.539 10.964 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -6.147 -35.959 13.436 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -6.467 -35.030 13.541 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -5.210 -35.861 13.230 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.584 -31.753 5.851 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.491 -32.075 6.052 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -9.040 -32.553 5.869 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -6.105 -33.019 6.745 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -6.747 -33.686 6.432 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -5.649 -33.462 7.500 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -6.847 -48.127 15.460 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -5.889 -48.079 15.648 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.061 -49.074 15.575 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.489 -43.842 16.687 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -5.153 -44.193 17.543 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -6.337 -43.413 16.923 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -13.053 -43.016 9.979 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -12.274 -43.230 10.530 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -13.788 -43.441 10.436 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -8.474 -43.639 20.717 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -8.749 -42.793 20.324 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -8.595 -43.507 21.680 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -15.454 -44.530 5.436 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -14.800 -44.315 6.138 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -16.084 -43.802 5.470 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -5.248 -42.860 14.172 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -4.855 -42.006 14.390 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -5.386 -43.288 15.047 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -13.666 -46.600 8.019 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -13.309 -46.523 8.929 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -13.597 -45.691 7.663 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -12.140 -40.981 8.346 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -12.501 -41.609 9.002 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -12.449 -41.329 7.487 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -13.302 -43.596 3.787 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -14.117 -44.084 3.993 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.047 -43.917 2.896 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -7.398 -46.804 13.065 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -7.179 -47.153 13.954 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -6.644 -47.084 12.507 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -13.588 -43.917 7.357 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -13.382 -43.640 8.273 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -13.132 -43.250 6.799 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -9.018 -44.650 13.787 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -8.430 -45.258 13.294 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -9.077 -45.057 14.682 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.169 -36.789 6.304 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -10.050 -37.607 6.838 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -10.668 -37.086 5.534 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -10.777 -35.252 17.994 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -10.075 -35.218 17.311 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -11.311 -34.467 17.821 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -10.653 -34.570 7.823 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -11.230 -33.948 7.336 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -10.628 -35.368 7.253 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -6.767 -32.261 16.155 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -5.875 -32.550 16.367 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -6.962 -31.578 16.829 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -7.318 -40.053 11.724 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -7.847 -39.777 10.943 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -7.901 -39.871 12.485 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -12.659 -34.288 14.720 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -12.019 -34.658 14.062 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -13.419 -34.878 14.664 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.440 -32.682 9.857 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -11.285 -32.637 10.369 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.542 -33.480 9.292 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -9.000 -39.541 13.887 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -9.933 -39.715 13.726 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -8.677 -40.364 14.332 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.791 -35.190 5.839 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -7.249 -35.845 6.336 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -8.687 -35.576 5.847 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -6.578 -37.159 7.252 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -5.753 -37.190 7.784 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.282 -37.002 7.917 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -8.647 -46.088 16.115 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -8.431 -45.828 17.032 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -8.056 -46.846 15.938 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -12.127 -32.606 6.352 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -12.488 -32.516 5.438 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -12.709 -32.045 6.890 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -7.975 -42.793 17.429 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -7.989 -43.695 17.816 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -8.385 -42.231 18.120 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -13.125 -31.856 3.915 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -13.080 -30.883 4.003 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -13.813 -32.004 3.259 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -15.764 -47.169 6.259 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -15.212 -47.031 7.050 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -15.792 -46.291 5.832 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -3.993 -45.848 15.511 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -4.650 -45.192 15.822 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -3.192 -45.640 16.026 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -9.389 -38.005 21.818 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -9.329 -37.123 21.408 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -9.902 -37.852 22.637 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -5.955 -35.805 3.776 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -6.583 -35.436 4.428 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -5.847 -36.740 4.054 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -12.128 -36.957 19.718 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -12.069 -37.926 19.553 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.664 -36.553 18.954 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.541 -38.587 2.473 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.171 -39.283 2.700 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -6.930 -38.558 3.240 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -12.590 -41.910 5.785 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -12.841 -42.462 5.005 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -12.083 -41.169 5.397 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -10.863 -40.005 4.659 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -11.014 -39.720 3.735 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.249 -40.772 4.570 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -12.025 -39.687 19.428 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -12.475 -40.499 19.178 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -11.597 -39.904 20.285 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.724 -43.383 23.467 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.983 -42.896 24.276 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.786 -44.311 23.720 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -7.602 -45.221 18.644 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -7.939 -44.826 19.483 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -6.659 -45.380 18.820 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -4.927 -46.899 20.991 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -4.879 -47.799 21.321 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -4.672 -46.345 21.765 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -12.775 -29.128 4.431 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -11.798 -29.159 4.328 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -12.920 -29.300 5.393 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -0.193 -48.720 19.523 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -0.294 -49.526 18.997 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 0.254 -48.090 18.919 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -4.089 -48.533 15.678 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -4.012 -47.566 15.485 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -3.559 -48.654 16.505 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -4.208 -23.872 10.302 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -4.354 -23.682 11.259 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -3.589 -24.610 10.301 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -9.023 -34.644 15.904 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -8.949 -35.374 15.254 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -8.174 -34.181 15.839 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -8.551 -34.962 11.372 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.222 -35.243 12.236 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -8.381 -34.000 11.355 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.916 -31.613 14.054 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -12.981 -32.559 14.292 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.494 -31.206 14.818 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -13.106 -48.960 6.590 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -13.978 -49.305 6.316 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -13.314 -48.126 7.058 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -10.054 -29.695 4.098 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -9.829 -30.366 4.783 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -9.767 -30.099 3.271 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -4.412 -31.835 4.890 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -3.946 -31.237 5.494 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -4.992 -32.364 5.480 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -9.159 -39.424 27.054 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.983 -38.581 26.579 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.743 -39.170 27.774 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -5.000 -38.028 27.615 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -5.881 -38.174 27.976 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -4.965 -37.052 27.453 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -5.306 -44.928 28.409 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -5.975 -45.235 29.065 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -4.613 -44.530 28.948 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -8.837 -37.019 25.747 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.099 -37.040 25.097 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -8.906 -36.075 25.993 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -6.875 -30.213 28.102 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -6.086 -30.585 28.538 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -7.553 -30.219 28.802 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -7.495 -34.317 28.315 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -8.044 -34.296 27.501 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -7.873 -33.628 28.873 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -11.027 -40.711 24.353 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -11.929 -40.855 24.726 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -10.437 -41.211 24.949 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.541 -40.442 21.615 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.775 -40.654 22.546 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.039 -39.595 21.683 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -8.800 -34.133 25.899 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.237 -34.227 25.024 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -8.385 -33.244 25.860 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -9.765 -34.207 23.293 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -10.596 -33.678 23.348 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -9.865 -34.716 22.461 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -7.025 -34.391 23.300 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -7.044 -35.360 23.390 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -7.967 -34.142 23.205 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -7.439 -31.673 25.843 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -7.483 -31.037 25.117 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -7.277 -31.118 26.641 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -8.873 -41.852 25.818 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.944 -41.027 26.355 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -8.244 -42.416 26.326 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -7.119 -45.663 30.337 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -7.943 -46.092 30.078 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -7.158 -45.633 31.299 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -13.613 -40.631 25.274 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -13.670 -39.707 24.937 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -14.518 -40.854 25.502 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -4.128 -45.481 23.210 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -3.395 -44.839 23.141 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -4.239 -45.614 24.173 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -6.721 -41.456 24.039 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -7.150 -42.084 23.430 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -7.340 -41.399 24.790 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -14.444 -33.617 22.113 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -14.406 -34.485 21.646 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -15.329 -33.294 21.936 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -14.429 -36.001 20.818 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -13.553 -36.269 20.458 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -14.985 -36.772 20.679 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -13.621 -38.107 24.257 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -12.656 -37.966 24.138 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -14.017 -37.278 23.976 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -10.881 -37.974 24.133 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.252 -37.606 24.789 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -10.843 -38.944 24.280 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -6.735 -43.387 26.585 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -6.308 -43.944 27.265 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -6.144 -43.449 25.824 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -10.042 -35.499 20.822 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -10.874 -36.000 20.707 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -9.885 -35.104 19.949 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -9.308 -41.285 19.338 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -9.747 -41.090 20.197 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -9.524 -40.522 18.788 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -3.526 -39.678 25.867 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -4.213 -39.196 26.374 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -2.703 -39.486 26.349 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -3.946 -41.576 23.984 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -4.923 -41.641 23.944 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -3.775 -41.022 24.777 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -4.645 -44.929 19.118 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -3.788 -44.568 19.417 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -4.788 -45.709 19.701 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -2.236 -43.459 22.994 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -1.400 -43.234 23.433 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -2.874 -42.793 23.337 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -4.260 -45.790 25.961 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -3.778 -46.593 26.182 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -4.657 -45.506 26.808 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -2.067 -44.108 20.290 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -2.310 -44.025 21.234 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -1.115 -43.955 20.280 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.765 -31.015 30.670 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -7.805 -30.891 31.621 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -6.846 -31.317 30.503 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -12.102 -32.828 23.302 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -12.892 -33.241 22.884 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -12.408 -31.960 23.572 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -5.218 -35.353 27.199 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -5.094 -34.713 26.470 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -6.012 -35.022 27.674 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 1.058 -29.360 -17.312 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 0.994 -30.071 -17.993 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 1.303 -28.566 -17.824 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 2.659 -25.049 -20.006 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 2.618 -25.896 -19.517 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 2.421 -25.284 -20.907 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -8.202 -22.069 -8.290 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -8.525 -21.187 -8.070 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -7.332 -22.121 -7.848 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -8.021 -18.931 -5.982 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -8.666 -18.241 -5.798 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -7.899 -19.382 -5.121 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -5.821 -19.410 -7.581 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -6.547 -19.128 -6.976 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -5.821 -18.741 -8.276 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -5.263 -25.094 -4.130 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -5.609 -24.188 -3.967 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -5.605 -25.319 -5.023 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -4.405 -23.324 -9.035 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -4.055 -23.096 -9.918 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -5.039 -24.048 -9.211 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -7.197 -27.660 -11.830 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -7.920 -27.007 -12.003 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -7.315 -27.901 -10.904 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -3.611 -25.940 -1.937 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -3.913 -25.543 -1.094 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -4.315 -25.705 -2.579 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -10.372 -11.458 -5.750 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -10.050 -11.359 -6.651 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -10.408 -10.560 -5.409 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -5.750 -22.083 -7.006 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -5.137 -22.404 -7.708 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -5.694 -21.100 -7.074 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -1.432 -19.300 -8.513 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -2.007 -19.443 -7.731 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -2.033 -18.895 -9.173 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -3.306 -22.562 -3.677 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -2.981 -21.651 -3.544 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -4.272 -22.457 -3.777 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -5.056 -19.560 -4.472 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -4.519 -19.477 -3.676 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -5.965 -19.662 -4.139 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -8.907 -24.376 -9.505 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -8.644 -23.486 -9.161 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -9.672 -24.618 -8.967 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -6.047 -29.756 -13.096 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -6.436 -28.932 -12.723 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -6.445 -30.469 -12.556 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -5.562 -22.073 2.395 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -6.210 -22.789 2.356 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -6.055 -21.325 2.797 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -9.006 -25.659 -11.928 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -9.659 -25.232 -12.490 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -8.990 -25.109 -11.115 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -10.356 -23.219 -0.240 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -10.902 -22.583 0.231 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -10.161 -23.908 0.428 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -6.265 -25.281 -9.579 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -6.022 -25.476 -10.509 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -7.213 -25.033 -9.625 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -9.301 -22.209 -2.630 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -9.161 -23.030 -3.110 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -9.680 -22.497 -1.770 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -6.480 -25.428 1.984 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -6.946 -25.157 2.794 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -7.100 -26.053 1.552 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -4.586 -11.104 3.501 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -4.389 -10.178 3.774 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -3.719 -11.487 3.327 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.444 -19.012 -1.211 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -5.817 -19.554 -0.676 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -7.103 -18.699 -0.557 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -3.793 -23.475 -11.750 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -3.901 -22.833 -12.463 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -4.366 -24.229 -12.017 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -8.184 -18.123 0.842 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -9.010 -18.433 0.415 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -8.161 -17.167 0.636 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -2.101 -28.522 -9.333 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -2.400 -27.903 -10.036 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -2.562 -29.361 -9.538 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -6.076 -22.486 -4.265 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -5.997 -22.273 -5.220 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -6.656 -21.784 -3.913 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -7.605 -20.187 -3.460 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -7.344 -19.754 -2.617 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -8.329 -20.804 -3.197 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -4.841 -16.941 -2.200 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -5.416 -16.237 -2.584 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -5.464 -17.665 -1.980 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -3.226 -18.103 -10.273 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.536 -17.207 -10.430 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -2.514 -18.231 -10.936 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -5.327 -25.701 -12.187 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -4.652 -25.935 -12.857 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -5.974 -26.437 -12.234 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.194 -24.797 0.642 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -5.016 -25.040 1.134 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -4.336 -23.878 0.389 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -3.239 -19.759 -6.563 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -3.550 -19.717 -5.636 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -4.057 -19.642 -7.086 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -6.219 -14.747 -2.995 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -6.721 -14.466 -3.767 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -6.537 -14.160 -2.275 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -6.972 -14.829 2.840 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -6.780 -15.772 2.734 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -7.339 -14.762 3.752 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -4.748 -20.520 0.290 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -5.025 -21.089 1.041 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -4.129 -21.078 -0.218 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -8.662 -22.101 3.784 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -9.534 -22.041 4.191 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -8.434 -23.049 3.853 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -8.273 -24.807 4.238 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -8.289 -24.548 5.183 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -8.337 -25.791 4.259 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -10.144 -24.933 1.969 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -9.680 -24.767 2.810 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -11.096 -24.934 2.216 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -8.313 -27.500 3.942 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -8.294 -27.544 2.963 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -8.960 -28.191 4.199 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -9.949 -28.731 -0.489 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -10.815 -29.149 -0.429 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -9.768 -28.692 -1.435 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.676 -15.254 -3.191 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.047 -14.596 -2.565 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -3.348 -15.959 -3.217 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -0.402 -20.993 -10.798 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -0.652 -20.157 -11.247 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -0.572 -20.813 -9.857 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -0.984 -23.610 -11.597 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -1.947 -23.650 -11.725 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -0.819 -22.689 -11.314 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -2.967 -25.999 -13.649 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -3.367 -26.824 -14.019 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -2.486 -25.606 -14.414 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -2.740 -26.379 -10.928 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -3.252 -25.597 -10.691 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.672 -26.328 -11.906 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -1.563 -24.624 -3.231 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -2.161 -25.186 -2.699 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -2.039 -23.765 -3.293 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -5.869 -25.069 -6.823 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -6.028 -25.328 -7.754 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -5.910 -24.098 -6.837 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -4.202 -28.206 -14.477 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -3.779 -28.825 -15.103 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -4.890 -28.744 -14.036 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -11.044 -13.914 -4.816 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -10.684 -13.046 -5.090 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -11.977 -13.855 -5.019 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -2.288 -28.150 -0.981 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -2.598 -28.879 -1.534 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -2.735 -27.359 -1.355 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -10.215 -17.857 -0.981 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -10.903 -17.717 -1.637 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -9.769 -16.989 -0.912 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -8.704 -15.582 -0.264 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -9.150 -15.040 0.423 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -8.210 -14.931 -0.791 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -2.241 -33.590 -9.920 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -1.686 -34.369 -10.163 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -3.164 -33.904 -10.073 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -8.574 -27.060 1.205 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -9.037 -27.655 0.575 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -9.211 -26.325 1.352 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -3.380 -30.993 -9.195 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -4.359 -31.097 -9.288 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -3.019 -31.836 -9.535 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -6.651 -29.951 2.170 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -7.163 -29.858 1.362 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.374 -30.896 2.176 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -10.326 -21.116 11.086 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -9.602 -21.025 11.747 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -10.974 -21.688 11.524 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -8.026 -20.741 12.497 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -8.058 -19.775 12.652 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -7.242 -20.862 11.917 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -3.593 -18.770 7.793 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -3.656 -18.552 8.731 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -4.360 -19.354 7.633 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -8.586 -13.378 14.239 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -7.636 -13.202 14.266 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -8.912 -12.814 13.512 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -14.769 -28.079 8.745 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -15.731 -28.116 8.717 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -14.561 -27.121 8.645 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -10.930 -24.216 12.646 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -11.014 -24.273 13.621 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -10.133 -24.739 12.451 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -9.597 -19.223 9.257 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -10.081 -19.663 9.987 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -9.480 -18.296 9.572 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -3.563 -20.499 12.364 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -4.200 -19.811 12.689 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -2.725 -20.261 12.788 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -12.604 -31.971 11.316 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -12.739 -31.948 12.286 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -12.948 -31.108 11.010 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -2.289 -16.870 6.091 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -2.783 -17.510 6.644 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -2.033 -16.170 6.708 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -6.247 -18.149 9.728 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -6.314 -17.174 9.742 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -6.719 -18.428 10.529 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -3.655 -17.468 17.736 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -2.779 -17.520 17.281 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -3.849 -16.506 17.770 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -8.766 -29.768 7.519 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -9.556 -29.650 8.081 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -9.040 -30.449 6.870 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -11.474 -23.678 4.830 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -12.014 -24.283 5.395 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -11.826 -23.824 3.934 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -7.834 -17.955 12.285 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -7.986 -17.340 13.048 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -8.419 -17.602 11.580 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -8.239 -19.511 6.888 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -7.929 -18.706 6.423 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -8.838 -19.168 7.586 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 1.227 -15.496 19.727 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 0.384 -15.170 19.335 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 1.210 -16.464 19.545 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -7.590 -12.768 6.993 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -7.709 -12.548 7.923 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.982 -12.070 6.657 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -11.298 -15.011 9.910 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -11.425 -14.057 9.920 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -12.186 -15.371 10.017 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -13.140 -29.380 10.567 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -13.040 -28.751 11.312 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -13.795 -28.952 9.977 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -7.161 -33.457 13.661 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -7.577 -32.891 12.974 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -7.076 -32.866 14.438 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -12.800 -24.791 2.604 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -13.491 -24.476 2.011 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -13.228 -25.527 3.101 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -12.613 -25.439 10.780 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -12.099 -24.833 11.352 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -12.661 -26.266 11.295 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -7.750 -22.463 16.472 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.659 -22.741 16.617 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -7.493 -22.032 17.317 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -14.171 -26.839 3.845 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -13.587 -27.618 4.003 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -15.034 -27.225 3.664 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -4.367 -23.118 12.901 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -5.266 -23.020 13.299 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -4.037 -22.201 12.837 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -14.346 -25.382 8.669 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -14.946 -24.677 8.939 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -13.629 -25.361 9.349 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -2.583 -12.839 19.114 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -2.394 -12.136 18.446 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -2.737 -12.336 19.944 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -12.514 -27.634 12.619 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -11.851 -28.226 13.002 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -12.870 -27.157 13.381 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -13.172 -29.693 7.077 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -13.781 -29.158 7.625 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -12.381 -29.809 7.643 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -10.551 -25.051 15.260 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -9.724 -25.212 15.741 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -11.074 -25.863 15.407 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -5.920 -21.005 10.800 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -5.081 -20.848 11.265 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -5.703 -20.857 9.859 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -11.264 -22.154 7.081 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -12.126 -21.723 7.127 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -11.316 -22.707 6.266 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -9.141 -16.725 10.201 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -8.352 -16.144 10.161 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -9.901 -16.102 10.126 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -5.492 -18.483 15.981 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -4.832 -18.193 16.649 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -5.963 -19.206 16.414 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -5.587 -17.709 3.889 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -6.079 -18.505 3.591 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -5.993 -17.489 4.751 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -3.058 -21.430 9.696 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -3.100 -21.119 10.619 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -3.519 -22.296 9.714 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -5.318 -18.642 13.242 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -5.353 -18.547 14.224 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -6.203 -18.344 12.944 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -8.244 -14.759 5.261 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -7.973 -14.026 5.871 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -9.210 -14.740 5.286 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -4.166 -14.757 17.938 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -4.610 -14.239 17.237 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -3.660 -14.084 18.447 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -5.906 -20.249 8.102 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -6.034 -19.450 8.671 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -6.519 -20.104 7.354 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -8.221 -26.394 16.337 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -8.255 -26.902 17.184 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -8.485 -27.038 15.667 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -6.766 -22.759 13.994 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -7.070 -22.689 14.931 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -7.344 -22.133 13.513 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -13.241 -25.261 6.103 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -13.736 -25.861 5.521 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -13.666 -25.367 6.977 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -9.240 -13.744 1.673 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -8.423 -14.048 2.114 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -9.372 -12.852 2.005 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -7.173 -19.876 3.088 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -7.806 -20.576 3.375 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -7.639 -19.414 2.365 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -3.849 -19.908 19.089 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -3.771 -19.073 18.583 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -4.049 -19.621 19.986 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -7.102 -18.427 19.027 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -7.285 -18.630 19.963 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -7.004 -19.302 18.615 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -11.083 -30.004 16.724 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -10.942 -30.019 17.677 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -10.994 -30.947 16.456 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 2.184 -22.823 23.522 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 2.984 -23.224 23.927 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 1.460 -23.126 24.080 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -4.919 -22.339 20.011 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -4.323 -21.745 19.516 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -4.506 -23.230 19.924 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -10.992 -32.705 16.197 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -11.658 -33.238 15.711 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -10.172 -33.235 16.129 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -7.816 -27.761 18.616 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -7.539 -28.691 18.604 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -7.567 -27.448 19.521 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.694 -26.884 20.903 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -5.748 -27.090 20.700 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.647 -26.097 21.473 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -11.799 -27.501 15.761 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -11.451 -28.397 15.971 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -12.554 -27.399 16.350 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 0.051 -16.303 24.634 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 0.224 -15.566 25.252 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 0.179 -15.899 23.743 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -1.215 -17.596 16.601 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -0.865 -18.433 16.237 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -0.503 -17.267 17.166 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -5.194 -15.707 14.887 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -5.546 -14.937 15.381 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -5.562 -16.478 15.352 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -6.624 -15.436 10.326 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -5.964 -15.620 11.031 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -6.667 -14.459 10.293 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -9.169 -13.576 16.962 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -9.270 -14.549 17.043 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -9.076 -13.426 15.996 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -6.093 -13.515 16.272 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -6.217 -12.540 16.260 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -6.818 -13.840 16.834 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.115 -16.333 16.959 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -8.212 -16.217 17.342 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -9.494 -17.059 17.468 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -11.139 -30.158 8.906 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -10.833 -31.038 9.209 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -11.788 -29.882 9.590 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -6.229 -30.099 6.634 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -6.261 -31.077 6.599 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.098 -29.849 7.030 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -7.024 -17.052 6.184 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -6.649 -16.739 7.017 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -7.468 -16.260 5.808 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -1.288 -15.241 18.809 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -2.069 -15.803 18.863 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -1.631 -14.338 18.986 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -7.412 -18.503 27.071 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -8.240 -17.971 27.030 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -6.800 -17.943 27.555 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -6.759 -20.858 25.872 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -6.948 -21.476 26.589 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -7.002 -19.975 26.244 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -7.154 -21.240 18.884 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -7.605 -20.893 19.680 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -6.349 -21.678 19.241 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -7.560 -21.634 23.340 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -7.299 -21.244 24.200 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -7.743 -22.571 23.552 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -7.892 -19.948 21.250 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -8.673 -19.563 21.661 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -7.574 -20.606 21.915 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -3.050 -22.123 23.078 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -3.395 -22.719 22.404 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -2.400 -22.659 23.564 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -7.681 -24.328 24.067 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -7.074 -24.556 23.327 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -8.137 -25.155 24.264 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -5.918 -24.362 21.981 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -5.972 -23.397 21.879 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -5.209 -24.627 21.354 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -3.175 -10.959 21.064 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -2.322 -10.718 21.485 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -3.751 -10.190 21.246 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 0.512 -8.522 20.449 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -0.210 -8.929 20.968 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 1.087 -9.278 20.211 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -4.039 -20.979 25.404 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -3.825 -21.234 24.480 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -5.016 -20.880 25.407 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -5.704 -11.292 19.687 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -5.334 -10.671 19.025 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -4.947 -11.506 20.259 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -0.156 -18.032 32.074 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -0.296 -18.695 32.759 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -0.545 -18.443 31.257 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -5.569 -24.634 25.971 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -5.735 -25.597 26.076 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -6.261 -24.343 25.353 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -6.189 -27.341 25.966 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -6.361 -28.036 26.612 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -5.736 -27.806 25.227 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -3.787 -31.195 24.803 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -3.220 -31.222 25.580 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -4.265 -32.053 24.827 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -11.730 -12.043 27.434 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -12.319 -11.961 26.678 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -12.017 -11.351 28.038 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -5.251 -31.742 29.871 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.009 -32.635 29.596 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -4.387 -31.322 30.110 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -5.376 -33.390 25.217 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -5.813 -33.785 24.428 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -6.071 -32.821 25.608 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -9.927 -14.118 27.625 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -10.654 -13.462 27.549 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -9.172 -13.597 27.907 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -1.132 -13.901 0.744 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -0.997 -14.284 1.629 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -0.685 -13.022 0.799 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -1.138 -9.062 1.252 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -2.026 -9.055 0.886 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -0.907 -8.111 1.336 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -7.230 -13.181 -0.954 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -6.749 -12.996 -0.116 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -7.877 -12.468 -1.017 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -5.903 -12.665 1.442 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -5.556 -12.009 2.079 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -6.180 -13.418 2.002 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -8.982 -8.962 10.617 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -9.629 -8.445 10.125 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -8.897 -8.486 11.477 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -5.107 -10.569 12.001 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -5.597 -9.730 12.153 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.230 -10.270 11.655 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -6.079 -7.950 12.238 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -5.569 -7.219 12.660 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -7.001 -7.784 12.518 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -3.222 -0.489 13.698 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -2.496 -0.758 13.111 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -3.511 -1.322 14.115 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -10.545 -7.123 15.081 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -10.662 -8.050 15.390 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -11.442 -6.811 14.925 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -5.809 -10.871 6.117 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -5.811 -9.907 6.286 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -5.478 -10.952 5.202 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -6.368 -3.543 15.853 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -7.210 -3.081 15.814 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -6.474 -4.172 16.596 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -11.475 -11.987 17.085 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -10.718 -12.605 17.103 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -12.174 -12.456 17.548 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.911 -6.680 17.312 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -9.166 -7.492 17.791 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -9.436 -6.714 16.488 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.446 -10.115 14.530 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -7.715 -10.329 15.153 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -9.229 -9.992 15.114 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -1.023 3.097 15.441 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -1.255 3.973 15.118 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -0.103 2.961 15.135 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -10.557 -9.600 16.179 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -11.063 -10.435 16.316 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -10.283 -9.341 17.085 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -6.666 -10.825 16.461 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -5.868 -10.346 16.784 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -7.259 -10.850 17.241 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -8.735 -7.868 13.076 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -9.264 -7.294 13.664 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -8.546 -8.660 13.626 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -9.682 -9.019 18.676 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -10.185 -9.014 19.498 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -9.127 -9.833 18.738 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -8.255 -11.349 18.642 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -7.444 -11.538 19.171 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -8.553 -12.228 18.337 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -3.828 0.068 16.451 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -3.994 0.308 15.521 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -2.894 0.322 16.596 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -4.246 -4.041 18.143 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -5.021 -4.617 17.994 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -3.571 -4.638 18.524 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -0.792 -6.346 1.384 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -1.110 -5.590 0.879 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -0.091 -5.985 1.939 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -6.402 -8.528 9.444 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -7.299 -8.838 9.660 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -6.041 -8.237 10.303 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -4.937 -5.839 13.602 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -4.065 -6.183 13.892 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -5.041 -5.012 14.090 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -2.610 -7.223 14.112 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -2.501 -7.910 14.808 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -2.503 -7.705 13.283 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -5.554 -8.165 6.830 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -5.963 -7.300 6.713 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -5.711 -8.376 7.783 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -4.579 -9.706 17.753 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -4.367 -8.764 17.761 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -3.704 -10.148 17.597 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -3.900 -8.720 4.645 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -4.451 -8.487 5.421 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -3.173 -8.090 4.675 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.642 -11.363 12.113 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -8.512 -10.886 12.962 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -8.842 -10.652 11.470 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -8.365 -16.161 14.257 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -8.544 -15.208 14.149 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.664 -16.356 15.167 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -6.550 -12.611 10.747 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -7.398 -12.375 11.177 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -5.940 -11.899 11.030 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -6.685 -15.909 18.032 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -6.693 -16.798 18.454 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -5.785 -15.572 18.201 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -4.770 -8.861 21.881 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -5.702 -9.025 21.696 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -4.662 -9.117 22.830 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -3.886 -2.476 15.458 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -3.991 -1.639 15.954 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -4.730 -2.956 15.620 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -2.026 -2.993 20.398 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -2.085 -3.919 20.068 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -2.667 -2.501 19.838 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -6.725 -5.291 17.954 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -7.465 -5.840 17.593 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -6.961 -5.160 18.877 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -2.990 -6.743 21.690 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -3.619 -7.490 21.742 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -2.797 -6.527 22.623 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 0.454 -49.994 -15.616 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 0.790 -49.189 -16.074 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -0.079 -50.451 -16.300 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 0.244 -52.915 -18.921 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 0.934 -52.947 -19.611 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 0.645 -53.395 -18.159 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 8.030 -52.094 -16.997 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 8.903 -51.641 -17.028 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 7.574 -51.781 -17.784 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 17.551 -47.989 -15.675 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 16.987 -47.194 -15.580 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 18.113 -47.978 -14.875 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 4.598 -52.604 -22.113 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 4.925 -51.818 -21.616 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 5.271 -53.274 -21.963 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -0.604 -51.835 -21.586 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 0.302 -52.208 -21.581 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -0.931 -52.012 -20.690 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -1.271 -51.287 -17.343 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -1.779 -50.760 -17.992 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -0.764 -51.922 -17.896 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 7.264 -51.715 -11.846 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 7.977 -51.476 -12.487 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 6.433 -51.565 -12.345 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 1.146 -54.210 -16.686 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 0.378 -54.315 -16.119 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 1.896 -54.520 -16.133 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 2.006 -52.624 -21.058 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 2.228 -51.719 -20.746 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 2.802 -52.905 -21.549 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 11.858 -48.505 -16.669 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 12.038 -47.574 -16.833 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 12.398 -48.718 -15.876 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 4.853 -45.590 -19.602 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 4.626 -45.332 -18.699 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 4.084 -46.124 -19.899 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 0.289 -48.905 -19.383 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -0.628 -49.188 -19.192 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 0.581 -48.455 -18.550 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 2.523 -50.023 -20.492 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 1.787 -49.592 -20.001 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 2.464 -49.648 -21.386 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 5.229 -50.357 -20.728 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 5.373 -49.487 -21.145 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 4.316 -50.300 -20.374 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 0.726 -50.381 -23.714 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 0.182 -51.054 -23.276 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 0.502 -49.551 -23.244 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 3.406 -50.080 -23.312 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 2.502 -50.190 -23.684 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 3.762 -50.983 -23.285 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 10.332 -51.765 -7.210 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 9.933 -52.531 -6.748 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 10.184 -51.950 -8.162 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 9.732 -53.991 -5.697 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 10.004 -54.757 -6.246 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 8.798 -54.189 -5.451 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 3.133 -57.046 -2.482 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 2.960 -57.420 -1.592 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 2.934 -56.087 -2.377 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 5.405 -54.381 -2.982 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 5.951 -54.738 -2.256 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 4.493 -54.416 -2.632 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 7.099 -54.532 -5.115 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 6.517 -54.341 -4.340 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 7.094 -55.498 -5.176 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 12.467 -57.024 -3.753 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 13.006 -57.635 -3.208 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 11.715 -57.570 -4.054 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 15.994 -56.881 -4.013 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 16.762 -57.271 -3.538 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 15.219 -57.297 -3.584 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 11.304 -55.828 -6.992 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 11.568 -55.238 -7.732 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 11.968 -56.551 -7.024 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 12.986 -54.677 -8.858 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 13.502 -54.245 -8.168 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 13.200 -54.165 -9.670 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 15.328 -54.205 -4.105 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 15.620 -55.140 -4.138 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 16.133 -53.713 -3.861 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 13.121 -58.379 0.252 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 13.812 -58.465 0.947 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 12.425 -57.851 0.675 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 5.623 -50.404 -7.648 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 4.730 -50.068 -7.514 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 5.597 -51.312 -7.265 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 4.835 -60.153 -3.075 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 3.932 -59.978 -3.424 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 4.786 -61.048 -2.734 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -0.261 -55.118 0.967 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 0.673 -54.916 0.696 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -0.742 -55.151 0.134 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 16.108 -50.050 -14.574 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 16.697 -49.552 -15.186 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 15.847 -49.383 -13.905 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -0.020 -57.241 -3.775 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -0.962 -57.017 -3.966 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -0.073 -57.945 -3.125 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -3.834 -52.710 -4.684 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -3.375 -52.783 -3.839 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -4.723 -52.362 -4.445 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 9.130 -50.945 -13.626 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 10.057 -50.839 -13.297 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 9.194 -50.755 -14.568 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 17.666 -58.278 -2.397 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 18.221 -58.924 -2.873 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 18.289 -57.846 -1.779 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 9.236 -63.607 -0.535 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 9.941 -63.175 -1.080 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 8.756 -64.151 -1.164 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 2.383 -59.242 -3.918 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 2.646 -58.412 -3.463 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 1.662 -58.972 -4.498 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 10.025 -61.566 1.254 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 9.530 -62.137 0.636 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 9.371 -60.876 1.523 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 2.618 -57.553 0.173 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 1.983 -57.969 0.785 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 2.421 -56.588 0.240 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 8.464 -56.819 -3.609 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 9.046 -57.371 -4.170 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 7.603 -57.282 -3.624 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 4.776 -53.209 -9.356 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 5.518 -53.677 -9.804 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 5.005 -53.250 -8.407 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 5.808 -57.621 -3.280 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 5.649 -58.593 -3.215 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 4.909 -57.237 -3.289 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 6.934 -54.161 -10.726 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 7.082 -53.267 -11.096 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 7.365 -54.755 -11.373 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 0.750 -58.424 2.283 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 0.852 -57.535 2.683 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -0.147 -58.708 2.564 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 5.928 -58.542 3.034 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 5.054 -58.533 3.435 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 5.828 -57.999 2.225 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 11.662 -50.600 -12.870 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 12.013 -50.444 -11.961 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 12.303 -50.151 -13.453 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -2.532 -52.038 -6.994 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -3.006 -52.233 -6.159 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -1.624 -52.376 -6.835 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 5.483 -52.938 -6.678 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 4.649 -53.086 -6.168 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 6.146 -53.491 -6.212 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 16.163 -51.927 -12.596 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 16.712 -52.649 -12.916 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 16.055 -51.341 -13.381 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 15.106 -48.520 -12.485 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 15.907 -48.722 -11.972 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 14.372 -48.571 -11.815 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 4.914 -51.093 -13.153 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 4.325 -51.027 -13.917 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 4.311 -51.345 -12.405 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 3.354 -51.670 -11.073 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 3.816 -52.251 -10.421 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 2.463 -51.586 -10.722 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 10.143 -51.868 -9.941 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 10.072 -52.362 -10.770 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 11.000 -51.374 -10.031 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 12.372 -61.060 -0.077 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 11.562 -61.181 0.471 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 12.553 -60.101 -0.027 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 5.928 -49.026 -11.590 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 5.899 -48.193 -12.100 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 5.511 -49.681 -12.180 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 12.072 -61.179 -4.468 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 12.923 -61.532 -4.739 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 11.789 -60.631 -5.227 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 10.330 -57.880 -5.346 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 10.510 -57.151 -5.967 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 10.684 -58.674 -5.802 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 3.136 -55.040 -14.977 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 3.384 -55.740 -14.365 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 3.905 -54.458 -14.997 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -3.586 -52.740 -9.436 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -3.326 -52.052 -10.069 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -3.118 -52.494 -8.609 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 6.993 -53.170 -14.726 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 6.784 -52.323 -14.317 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 7.373 -52.926 -15.600 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 10.424 -50.796 -17.046 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 11.207 -51.340 -16.921 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 10.769 -49.873 -17.021 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -0.006 -57.013 5.610 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 0.770 -57.578 5.813 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 0.303 -56.446 4.867 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 3.619 -55.681 2.519 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 3.172 -55.225 1.769 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 4.410 -56.089 2.107 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 6.907 -56.105 -1.300 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 7.844 -56.150 -1.546 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 6.469 -56.713 -1.934 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 3.555 -56.477 5.168 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 2.985 -55.752 5.517 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 3.752 -56.201 4.249 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 5.339 -56.964 0.850 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 4.567 -57.314 0.364 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 5.945 -56.644 0.146 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 11.042 -62.339 -2.111 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 11.321 -61.937 -2.961 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 11.605 -61.896 -1.442 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 11.762 -66.133 2.519 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 11.009 -65.731 2.047 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 11.371 -66.906 2.965 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -4.495 -48.756 -10.572 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -3.713 -49.320 -10.757 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -4.703 -48.344 -11.440 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -5.115 -50.136 -7.056 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -4.924 -49.221 -7.366 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -4.258 -50.590 -7.113 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -4.974 -54.902 -8.417 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -4.627 -54.040 -8.751 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -4.659 -55.545 -9.060 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 11.737 -59.704 -6.842 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 12.384 -59.023 -7.129 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 11.469 -60.143 -7.680 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 14.441 -58.279 -2.195 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 15.331 -58.614 -1.995 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 13.946 -58.396 -1.354 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 1.149 -54.708 -4.091 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 1.599 -54.561 -3.226 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 0.793 -55.621 -4.023 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 3.356 -53.344 -5.054 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 2.542 -53.854 -4.864 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 3.807 -53.297 -4.200 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -2.237 -50.214 -11.182 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -1.942 -50.355 -12.106 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -1.651 -49.497 -10.849 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 8.267 -54.899 -13.031 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 9.085 -55.031 -13.513 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 7.733 -54.318 -13.617 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -0.679 -48.023 -10.338 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -0.267 -47.558 -11.097 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -0.317 -47.573 -9.559 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 10.205 -56.612 6.361 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 10.500 -56.437 5.434 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 9.870 -57.536 6.328 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 5.155 -54.892 10.492 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 4.583 -55.609 10.821 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 5.243 -55.080 9.531 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -1.226 -57.872 13.275 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -1.324 -58.683 12.726 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -0.838 -58.195 14.116 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -1.388 -59.811 11.313 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -1.389 -60.739 11.065 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -1.294 -59.334 10.468 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -0.055 -56.591 11.126 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -0.341 -57.012 11.965 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -0.465 -55.695 11.157 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 6.665 -53.324 12.358 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 6.178 -53.736 13.099 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 6.279 -53.739 11.562 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 9.757 -61.928 5.987 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 8.911 -62.163 6.384 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 10.318 -61.656 6.758 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 2.661 -56.182 10.480 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 1.786 -56.269 10.911 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 2.607 -56.794 9.716 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 11.237 -54.065 5.981 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 10.791 -54.817 6.417 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 11.144 -54.254 5.035 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.914 -55.592 16.450 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.471 -56.103 17.160 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 1.237 -55.536 15.739 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 2.743 -53.675 14.784 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 1.916 -53.579 14.285 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 2.518 -54.318 15.487 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 12.402 -54.388 12.200 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 13.376 -54.543 12.169 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 12.066 -54.839 11.398 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 15.024 -51.771 9.007 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 14.808 -51.604 9.947 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 14.165 -52.040 8.607 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 10.321 -54.154 15.810 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 9.386 -53.995 15.562 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 10.293 -54.226 16.785 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 16.089 -57.684 13.673 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 16.415 -56.849 14.062 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 16.281 -57.596 12.718 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 0.694 -55.089 8.359 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 1.110 -54.847 7.497 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 0.879 -56.039 8.451 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -0.600 -57.885 16.067 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -1.362 -57.294 16.118 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -0.083 -57.675 16.861 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 5.333 -54.362 14.502 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 4.415 -53.999 14.573 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 5.232 -55.298 14.708 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -0.341 -53.353 5.617 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 0.444 -53.885 5.856 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 0.030 -52.494 5.341 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -2.400 -55.825 14.693 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -2.999 -55.277 14.145 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -2.160 -56.578 14.107 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 14.434 -50.070 20.891 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 13.479 -49.990 21.096 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 14.722 -49.151 20.743 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 0.546 -56.653 18.559 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 0.942 -55.959 19.125 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -0.324 -56.826 18.972 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 2.570 -60.004 3.653 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 1.953 -59.492 3.087 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 2.847 -60.738 3.100 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 1.628 -57.752 8.440 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 1.927 -58.180 7.604 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 0.769 -58.166 8.624 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 10.002 -59.167 5.578 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 9.913 -60.135 5.532 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 10.107 -58.889 4.642 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 11.312 -61.070 8.059 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 12.076 -60.563 7.725 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 11.383 -60.994 9.028 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 2.200 -58.652 5.966 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 2.315 -59.333 5.265 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 2.829 -57.937 5.707 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 4.690 -55.493 7.851 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 3.859 -55.405 7.352 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 5.307 -55.875 7.213 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 12.645 -48.638 18.758 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 12.192 -49.027 19.536 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 13.235 -47.953 19.149 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 1.545 -54.520 20.055 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 2.385 -54.535 19.548 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 1.472 -53.590 20.366 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 12.231 -55.831 14.533 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 11.572 -55.372 15.086 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 12.215 -55.342 13.688 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 9.506 -67.563 3.320 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 8.662 -67.913 3.607 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 9.271 -66.819 2.728 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 4.288 -51.915 18.033 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 4.354 -51.806 19.015 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 3.520 -51.367 17.784 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 12.750 -59.458 3.603 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 11.879 -59.071 3.332 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 12.519 -60.366 3.930 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 12.168 -61.876 4.543 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 12.478 -62.688 4.088 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 11.369 -62.157 5.018 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 11.504 -56.026 10.159 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 11.600 -56.881 10.651 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 10.551 -55.893 10.103 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 -2.830 -53.386 6.615 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 -1.947 -53.094 6.294 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 -2.702 -54.338 6.807 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 7.707 -53.298 15.417 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 6.884 -53.740 15.112 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 7.918 -52.668 14.702 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 9.253 -65.238 1.744 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 9.289 -64.561 2.462 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 9.236 -64.707 0.921 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 9.519 -63.162 3.434 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 9.836 -62.521 2.764 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 9.505 -62.654 4.262 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 11.765 -58.343 11.494 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 11.859 -59.266 11.187 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 12.280 -58.313 12.328 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 0.988 -55.886 3.311 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 0.567 -55.369 2.595 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 1.947 -55.708 3.202 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 15.114 -51.217 11.858 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 15.539 -50.509 12.385 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 15.823 -51.881 11.735 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 -1.217 -51.301 18.707 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 -0.429 -51.811 18.467 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 -1.421 -51.593 19.631 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 -1.930 -56.702 19.799 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 -2.636 -57.340 19.949 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 -2.205 -56.227 18.975 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 1.230 -52.031 21.207 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 1.625 -52.345 22.049 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 1.342 -51.054 21.246 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 7.899 -51.209 13.569 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 7.110 -50.882 14.055 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 7.528 -51.828 12.896 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 8.373 -59.678 2.278 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 7.558 -59.273 2.645 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 9.084 -59.037 2.505 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 14.781 -52.845 14.271 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 14.827 -52.301 13.467 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 13.865 -52.727 14.582 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 14.098 -52.136 19.128 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 14.708 -52.836 19.379 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 14.275 -51.415 19.783 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 9.412 -53.896 18.453 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 8.614 -53.407 18.173 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 9.147 -54.302 19.310 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 14.990 -55.118 12.134 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 15.247 -55.942 11.665 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 15.349 -55.235 13.036 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 11.990 -52.554 14.228 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 11.429 -53.130 14.793 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 12.122 -53.081 13.406 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 14.952 -58.765 2.261 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 15.609 -59.491 2.161 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 14.191 -59.192 2.717 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 14.354 -62.316 1.395 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 13.643 -61.992 0.803 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 13.898 -62.940 1.996 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 12.463 -57.072 7.778 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 11.578 -56.957 7.369 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 12.386 -56.609 8.640 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 0.143 -54.742 14.449 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 -0.086 -53.952 13.908 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 -0.719 -55.169 14.622 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 13.269 -64.049 3.275 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 13.961 -64.510 3.756 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 12.680 -64.773 2.948 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 13.673 -59.500 7.912 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 13.226 -58.632 8.013 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 14.235 -59.577 8.713 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 14.371 -60.467 12.608 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 15.013 -60.821 13.235 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 14.021 -59.661 13.054 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 12.599 -52.491 7.803 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 11.791 -52.149 8.199 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 12.280 -53.061 7.069 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -1.458 -52.371 21.208 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -1.544 -53.311 21.452 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -0.498 -52.188 21.310 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 11.286 -52.052 19.191 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 10.818 -52.864 18.898 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 12.233 -52.251 19.047 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 3.230 -48.992 24.728 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 3.392 -48.294 25.398 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 2.338 -49.337 24.948 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 11.700 -50.016 20.963 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 11.089 -50.024 21.732 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 11.404 -50.775 20.414 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 8.073 -54.374 20.821 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 8.243 -53.721 21.535 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 7.099 -54.430 20.779 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 4.499 -51.994 20.715 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 4.913 -52.866 20.875 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 4.495 -51.566 21.595 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 2.158 -52.478 23.765 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 3.086 -52.171 23.682 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 1.702 -51.735 24.216 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 8.428 -52.364 22.704 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 9.220 -51.804 22.656 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 7.753 -51.784 23.096 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 4.482 -50.992 23.334 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 5.436 -50.776 23.433 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 4.023 -50.232 23.758 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 -0.375 -53.699 24.019 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 0.583 -53.516 24.015 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 -0.495 -54.365 23.313 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 7.138 -52.231 17.869 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 7.288 -52.526 16.945 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 6.169 -52.111 17.926 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 8.826 -50.760 19.461 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 8.157 -51.275 18.961 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 9.663 -51.240 19.308 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 3.698 -54.571 18.361 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 3.245 -54.956 17.582 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 3.970 -53.673 18.063 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 5.297 -54.644 20.635 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 4.983 -55.430 21.092 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 4.862 -54.686 19.757 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 -0.656 -55.068 21.644 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 0.190 -54.987 21.159 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 -1.177 -55.701 21.109 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 8.087 -48.909 21.270 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.447 -49.619 20.681 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 7.272 -48.608 20.807 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 -1.650 -51.310 23.871 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 -1.338 -52.210 24.114 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 -1.895 -51.392 22.936 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 8.244 -38.955 -26.116 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 7.810 -38.590 -25.320 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 7.559 -38.884 -26.809 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 11.263 -39.999 -24.253 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 11.421 -39.646 -25.145 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 10.690 -40.769 -24.402 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 7.760 -35.465 -27.139 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 8.345 -34.808 -27.523 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 7.640 -36.128 -27.854 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 0.014 -41.990 -29.075 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 -0.208 -41.106 -29.392 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 -0.501 -42.090 -28.265 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 4.237 -40.490 -30.269 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 4.105 -41.329 -30.771 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 4.151 -40.756 -29.337 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 7.418 -43.080 -24.386 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 8.133 -42.564 -24.818 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 7.894 -43.663 -23.748 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 3.244 -44.702 -25.868 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 4.123 -44.863 -26.233 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 2.797 -44.152 -26.552 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 1.313 -41.313 -23.223 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 1.732 -42.198 -23.314 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 0.407 -41.516 -22.915 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 -0.122 -44.592 -19.607 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 0.484 -45.081 -18.990 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 -0.861 -44.309 -19.039 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 2.241 -43.888 -23.429 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 3.081 -44.049 -22.936 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 2.440 -44.201 -24.341 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 12.485 -33.420 -20.302 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 12.097 -33.849 -19.508 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 12.101 -33.914 -21.051 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 4.642 -47.970 -22.036 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 4.222 -48.597 -22.668 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 3.886 -47.576 -21.551 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 15.676 -38.337 -19.715 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 16.482 -37.969 -19.301 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 14.942 -37.836 -19.289 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 5.757 -38.803 -27.459 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 5.422 -39.719 -27.465 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.968 -38.263 -27.683 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 14.946 -40.996 -19.457 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 15.215 -41.158 -20.383 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 15.120 -40.041 -19.329 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 3.698 -40.381 -24.861 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 2.919 -40.640 -24.336 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 4.454 -40.538 -24.261 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 3.238 -37.821 -28.124 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 3.034 -37.901 -29.089 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 2.742 -37.045 -27.843 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 9.515 -35.613 -20.053 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 9.321 -34.644 -20.080 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 9.099 -35.959 -20.872 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 3.599 -40.551 -27.537 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 3.602 -40.605 -26.549 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 3.266 -39.650 -27.724 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 0.819 -38.674 -22.560 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 0.127 -38.586 -23.252 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 1.205 -39.561 -22.724 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 16.753 -37.096 -14.442 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 16.128 -37.798 -14.715 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 17.634 -37.507 -14.554 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 14.602 -43.430 -14.974 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 14.978 -42.793 -15.625 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 13.677 -43.554 -15.276 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 2.589 -46.789 -20.495 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 1.964 -46.395 -21.135 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 2.157 -46.639 -19.617 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 4.564 -44.474 -22.193 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 4.610 -44.713 -21.250 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 5.396 -44.800 -22.559 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 12.757 -42.499 -18.825 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 13.588 -42.029 -19.050 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 12.097 -42.098 -19.397 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 2.235 -42.957 -27.694 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 1.532 -42.754 -28.336 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 2.803 -42.162 -27.705 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 9.239 -41.463 -25.606 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 9.475 -41.797 -26.503 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 8.886 -40.564 -25.773 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 10.930 -38.577 -26.650 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 9.956 -38.659 -26.550 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 11.102 -38.880 -27.546 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 8.179 -44.494 -28.196 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 8.181 -45.352 -28.627 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 7.508 -44.585 -27.484 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 0.980 -43.539 -31.182 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 0.608 -42.989 -30.468 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 0.456 -44.366 -31.145 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 3.586 -42.800 -31.526 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 2.641 -43.057 -31.411 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 3.927 -43.436 -32.156 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 8.670 -44.815 -22.736 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 8.004 -45.381 -22.282 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 9.511 -45.103 -22.372 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 12.537 -30.963 -16.223 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 12.214 -30.784 -17.135 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 13.449 -30.591 -16.216 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 -0.521 -45.834 -30.969 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.653 -46.405 -31.732 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.718 -46.395 -30.213 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 11.493 -35.197 -22.544 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 10.553 -34.988 -22.425 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 11.494 -35.880 -23.246 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 -2.408 -38.994 -18.154 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 -1.870 -38.986 -18.970 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 -3.247 -39.414 -18.426 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 17.944 -39.405 -16.692 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 17.404 -40.154 -16.397 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 18.489 -39.181 -15.905 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 15.703 -39.998 -21.909 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 15.426 -39.534 -22.700 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 15.729 -39.303 -21.217 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 2.709 -38.316 -30.739 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 3.266 -39.130 -30.674 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 2.513 -38.240 -31.677 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 7.390 -37.344 -29.114 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 6.817 -37.944 -28.594 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.245 -37.611 -30.026 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 8.728 -36.189 -22.643 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 9.362 -36.645 -23.237 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 8.028 -35.866 -23.244 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 11.985 -36.755 -20.293 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 11.049 -36.575 -20.076 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 12.122 -36.293 -21.140 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 11.299 -34.607 -18.108 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 10.665 -35.114 -18.649 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 10.729 -34.058 -17.526 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 1.653 -33.816 -19.123 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 2.439 -34.158 -19.591 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 1.355 -34.566 -18.586 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 6.729 -46.267 -21.544 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 6.363 -46.023 -20.670 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 6.143 -46.995 -21.850 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 9.663 -42.224 -28.188 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 9.990 -42.180 -29.089 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 9.131 -43.055 -28.165 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 10.716 -37.297 -24.179 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 10.825 -37.402 -25.143 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 10.928 -38.186 -23.821 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 0.133 -48.310 -22.003 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 0.240 -47.338 -22.101 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 0.258 -48.469 -21.036 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 0.756 -31.259 -19.240 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 0.975 -32.216 -19.128 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 -0.183 -31.261 -19.535 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 -1.626 -32.488 -15.399 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 -2.308 -32.761 -14.764 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 -1.223 -33.337 -15.694 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 10.216 -40.134 -17.840 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 10.255 -39.821 -16.906 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 11.040 -39.812 -18.228 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 10.337 -39.336 -15.266 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 9.776 -38.782 -14.687 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 10.317 -40.229 -14.837 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 12.721 -38.800 -16.429 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 13.489 -38.995 -15.854 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 11.943 -39.001 -15.864 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 5.768 -46.574 -12.979 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 6.503 -46.043 -13.359 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 5.693 -46.251 -12.061 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 9.514 -42.797 -17.324 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 9.794 -41.896 -17.588 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 8.637 -42.671 -16.952 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 15.055 -32.614 -20.603 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 14.127 -32.902 -20.442 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 15.134 -32.601 -21.560 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 13.758 -37.148 -18.271 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 13.259 -37.759 -17.679 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 13.103 -36.901 -18.966 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 -2.041 -41.293 -24.766 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 -2.379 -42.086 -25.191 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 -1.744 -41.606 -23.880 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 15.362 -41.509 -16.791 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 15.069 -40.630 -16.506 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 15.282 -41.485 -17.768 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 13.432 -49.285 -14.555 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 13.843 -48.740 -13.854 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 14.177 -49.803 -14.914 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 0.549 -45.591 -22.005 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 0.253 -45.126 -21.178 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 1.044 -44.901 -22.505 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -1.219 -42.368 -22.412 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -1.467 -43.286 -22.669 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 -1.561 -42.278 -21.498 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 16.005 -45.877 -14.757 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 16.406 -45.802 -13.868 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 15.497 -45.049 -14.861 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 -2.345 -43.724 -18.163 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 -2.374 -42.968 -18.787 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -3.126 -44.273 -18.413 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 2.240 -36.623 -18.602 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 2.833 -36.136 -19.207 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 2.614 -37.531 -18.582 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 1.875 -36.139 -22.182 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 1.018 -35.715 -22.269 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 1.676 -37.097 -22.262 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 3.698 -35.124 -20.473 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 4.528 -34.984 -20.949 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 3.089 -35.495 -21.158 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 7.359 -29.349 -22.438 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 7.374 -28.871 -23.273 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 6.537 -29.899 -22.490 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 9.246 -32.946 -20.162 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 8.883 -32.505 -19.373 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 9.495 -32.205 -20.755 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 8.252 -31.325 -18.112 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 8.860 -30.569 -18.252 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 7.395 -30.995 -18.423 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 6.073 -38.192 -24.515 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 6.005 -38.971 -23.920 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 5.509 -38.421 -25.269 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 6.445 -45.018 -26.103 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 6.684 -44.261 -25.522 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 6.371 -45.764 -25.499 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 12.960 -45.977 -11.718 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 13.663 -46.058 -12.373 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 12.892 -46.880 -11.325 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 9.606 -33.144 -16.572 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 9.076 -32.520 -17.114 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 9.533 -32.791 -15.665 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 1.293 -40.118 -7.936 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 0.626 -40.756 -7.641 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 1.511 -40.405 -8.860 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -2.134 -41.985 -9.967 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -1.497 -41.364 -9.586 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 -1.712 -42.861 -9.846 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 0.274 -38.343 -9.912 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 0.612 -38.608 -9.043 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 0.621 -39.038 -10.517 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 7.958 -44.959 -13.585 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 8.358 -44.256 -13.022 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 8.562 -45.031 -14.329 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 15.938 -39.266 -9.105 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 16.504 -39.688 -8.420 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 15.235 -39.927 -9.273 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 6.899 -35.504 -10.019 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 7.790 -35.087 -9.902 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 6.606 -35.685 -9.123 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 -1.955 -30.811 -12.507 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 -1.980 -31.594 -11.945 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 -2.722 -30.917 -13.098 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 10.375 -41.817 -14.228 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 11.163 -42.349 -14.409 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 9.975 -42.241 -13.433 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -1.588 -35.513 -13.113 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 -1.095 -35.378 -13.944 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 -2.314 -34.848 -13.158 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 12.590 -40.724 -11.315 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 13.114 -40.861 -10.505 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 12.250 -41.617 -11.533 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 13.075 -38.863 -13.254 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 12.379 -38.175 -13.213 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 12.805 -39.523 -12.572 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 14.836 -43.367 -12.147 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 14.785 -43.371 -13.124 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 13.905 -43.318 -11.862 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 12.107 -43.411 -16.319 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 11.144 -43.379 -16.481 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 12.498 -43.130 -17.176 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 11.930 -43.382 -11.741 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.945 -43.316 -11.746 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 12.107 -44.346 -11.692 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 -0.571 -44.340 -9.430 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 0.121 -43.854 -9.951 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 -0.087 -45.090 -9.038 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 0.928 -37.110 -16.250 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 1.275 -36.945 -17.155 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 1.717 -37.411 -15.746 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 14.362 -47.162 20.310 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 14.080 -46.259 20.553 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 15.319 -47.063 20.089 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 11.066 -45.762 16.426 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 11.946 -45.725 16.050 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 11.211 -45.643 17.394 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 13.941 -50.366 16.978 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 14.073 -51.127 17.578 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 13.658 -49.641 17.575 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 16.926 -49.706 13.360 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 17.707 -50.234 13.101 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 17.209 -48.777 13.206 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 3.819 -34.211 29.162 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 3.072 -34.643 29.585 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 3.657 -34.336 28.203 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 12.593 -36.395 23.579 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 11.607 -36.316 23.586 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 12.783 -36.944 22.787 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 1.536 -40.717 27.915 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 1.370 -40.622 28.868 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 1.989 -39.882 27.663 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 5.270 -45.023 27.852 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 5.543 -45.200 28.757 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 4.325 -44.771 27.930 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 0.582 -41.494 30.601 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 0.797 -41.738 31.507 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 0.642 -42.344 30.102 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 4.193 -42.724 25.071 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 4.306 -41.795 24.746 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 3.309 -42.721 25.490 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 7.025 -35.643 24.291 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 7.476 -36.476 24.083 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 7.609 -34.957 23.897 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 10.862 -33.378 26.098 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 10.335 -34.188 26.259 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 10.303 -32.848 25.492 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 9.492 -32.001 24.151 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 10.040 -31.408 23.608 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 9.295 -32.770 23.553 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 8.406 -41.108 21.470 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 8.436 -40.499 20.701 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 7.454 -41.213 21.654 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 9.308 -35.633 26.062 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 8.357 -35.468 26.010 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 9.583 -35.761 25.114 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 2.503 -38.405 26.624 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 2.257 -38.647 25.697 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 3.397 -38.014 26.533 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 5.423 -32.019 29.327 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 4.974 -31.569 30.045 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 4.978 -32.894 29.276 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 4.498 -34.554 23.731 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 5.402 -34.813 24.003 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 4.080 -35.410 23.446 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 3.261 -30.485 25.739 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 3.796 -30.009 25.075 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 2.958 -31.293 25.264 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 5.866 -30.983 26.850 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 4.931 -30.762 26.691 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 5.866 -31.387 27.748 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 4.326 -40.218 24.144 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 4.903 -40.010 23.401 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 3.580 -39.573 24.060 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 8.137 -45.242 22.315 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 8.417 -45.038 23.233 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 7.171 -45.165 22.335 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 1.618 -42.791 26.151 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 1.604 -42.070 26.822 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 1.036 -42.463 25.430 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 6.690 -43.926 25.740 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 5.995 -43.323 25.419 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 6.299 -44.333 26.538 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 0.560 -43.823 29.255 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 1.337 -44.318 28.916 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 0.006 -43.698 28.477 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 2.488 -44.895 27.647 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 2.705 -45.660 27.076 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 2.200 -44.197 27.014 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 10.941 -40.044 28.076 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 11.029 -39.130 27.722 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 10.382 -39.943 28.848 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 -1.670 -40.187 29.770 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 -2.286 -40.605 30.376 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -0.796 -40.562 30.019 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 10.782 -42.288 20.825 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 10.007 -41.784 21.159 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 10.481 -43.205 20.822 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 3.208 -34.678 26.529 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 3.245 -33.990 25.843 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 3.795 -35.389 26.189 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 4.634 -36.886 25.626 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 5.542 -36.623 25.405 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 4.219 -37.073 24.747 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 2.651 -32.637 24.190 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 2.091 -32.629 23.405 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 3.368 -33.273 23.968 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 8.771 -47.791 23.994 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 8.969 -46.945 24.450 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 8.548 -47.524 23.088 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.108 -45.078 24.899 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 9.860 -44.447 24.912 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 8.367 -44.580 25.311 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 7.048 -50.052 23.553 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 7.385 -49.751 22.682 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 7.357 -49.368 24.172 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 -1.169 -37.270 25.721 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 -0.471 -36.677 26.062 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 -1.661 -37.542 26.528 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 -0.403 -31.598 29.474 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 -0.351 -32.538 29.198 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 0.316 -31.162 28.970 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 -0.433 -34.262 28.666 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 0.114 -34.858 28.113 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 -1.146 -34.824 28.983 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 14.863 -37.140 25.002 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 14.002 -36.905 24.607 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 14.719 -38.038 25.372 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 12.386 -41.592 26.331 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 11.804 -42.185 25.825 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 11.792 -41.176 26.993 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 13.227 -40.257 23.137 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 13.060 -39.450 22.621 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 13.448 -39.929 24.031 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 12.957 -42.203 19.220 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 12.550 -42.181 18.331 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 12.188 -42.135 19.837 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 11.016 -37.463 27.180 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 11.819 -37.239 26.696 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 10.364 -36.788 26.890 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 -2.245 -38.293 27.944 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 -3.203 -38.181 28.108 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 -1.958 -38.947 28.624 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 11.543 -45.504 19.075 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 12.237 -45.260 19.718 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 10.873 -45.982 19.613 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 11.199 -43.224 24.361 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 12.128 -43.332 24.069 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 10.814 -42.628 23.704 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 13.437 -44.461 20.792 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 13.446 -44.044 21.679 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 13.448 -43.703 20.174 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 2.474 -47.181 22.824 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 2.864 -47.849 23.422 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 2.861 -46.337 23.127 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 13.508 -33.025 25.955 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 13.888 -33.248 26.812 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 12.535 -33.178 26.074 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 0.984 -36.086 27.136 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 1.714 -35.466 26.916 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 1.415 -36.965 27.144 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 3.864 -46.642 26.026 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 4.622 -46.319 26.549 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 3.925 -46.139 25.181 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 0.777 -50.184 24.417 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 0.882 -49.825 23.509 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 -0.157 -50.490 24.442 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 4.006 -45.107 23.802 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 4.609 -45.128 23.031 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 4.116 -44.200 24.171 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 10.163 -50.159 23.223 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 10.616 -50.278 24.063 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 9.598 -49.371 23.366 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 9.551 -46.700 20.515 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 9.085 -46.072 21.112 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 9.200 -47.573 20.769 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 3.249 -31.139 -20.477 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 2.325 -31.018 -20.172 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 3.449 -32.057 -20.259 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 6.784 -35.505 -24.565 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 7.131 -35.425 -25.485 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 6.444 -36.424 -24.518 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 9.658 -29.083 -18.852 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 10.552 -29.487 -18.799 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 9.738 -28.253 -18.317 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 12.341 -21.536 -13.896 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 13.271 -21.651 -14.127 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 12.330 -21.582 -12.918 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 5.225 -33.499 -23.288 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 5.995 -34.016 -23.597 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 4.520 -33.745 -23.894 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 9.618 -30.509 -21.360 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 9.718 -29.874 -20.635 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 8.869 -30.159 -21.884 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 10.046 -26.801 -17.451 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 10.963 -26.470 -17.396 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 9.493 -26.015 -17.281 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 5.594 -24.260 -16.099 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 5.577 -23.489 -15.514 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 5.011 -24.001 -16.859 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 6.979 -29.170 -19.673 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 7.059 -29.192 -20.649 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 7.885 -28.973 -19.365 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 4.278 -28.836 -19.294 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 5.256 -28.846 -19.371 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 3.994 -29.643 -19.767 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 8.817 -24.125 -14.535 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 8.588 -24.316 -15.466 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 8.127 -23.491 -14.243 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 5.272 -18.877 -16.245 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 6.029 -19.410 -15.915 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 5.569 -18.550 -17.099 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 1.460 -22.692 -17.134 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 0.909 -22.093 -17.649 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 1.663 -22.185 -16.310 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 -1.778 -25.389 -16.009 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 -0.895 -25.397 -16.449 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 -2.401 -25.333 -16.737 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 8.105 -24.671 -17.181 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 7.181 -24.736 -16.852 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 8.029 -24.163 -17.997 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 3.873 -23.632 -18.041 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 3.591 -24.105 -18.854 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 3.052 -23.218 -17.711 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 5.089 -30.798 -22.511 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 5.165 -31.740 -22.768 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 4.366 -30.789 -21.853 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 7.388 -20.267 -15.174 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 8.369 -20.208 -15.065 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 7.153 -21.112 -14.736 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 3.338 -25.420 -14.845 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 4.135 -25.142 -15.335 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 3.178 -26.337 -15.145 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 2.535 -27.141 -18.217 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 2.811 -27.196 -17.283 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 3.182 -27.724 -18.693 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 0.550 -25.289 -17.375 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 1.211 -25.857 -17.809 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 0.951 -24.396 -17.398 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 13.583 -27.943 -19.703 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 13.811 -27.840 -20.631 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 14.276 -28.552 -19.349 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 12.050 -30.551 -18.895 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 12.093 -31.375 -19.415 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 12.770 -30.005 -19.251 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 2.733 -28.009 -15.529 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 2.119 -28.597 -16.019 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 3.007 -28.537 -14.770 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 0.095 -30.353 -14.924 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 0.428 -30.162 -15.824 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 -0.387 -31.200 -15.020 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 8.109 -24.616 -5.823 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 8.315 -24.738 -6.763 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 8.928 -24.231 -5.444 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 6.816 -21.106 -5.331 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 6.915 -20.168 -5.538 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 7.576 -21.302 -4.732 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 7.290 -21.221 -1.309 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 8.031 -21.325 -0.677 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 7.708 -21.340 -2.187 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 2.827 -30.904 -10.880 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 3.610 -31.493 -10.838 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 2.083 -31.505 -10.861 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 5.741 -22.629 -7.338 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 6.407 -23.283 -7.605 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 6.179 -22.117 -6.623 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 -0.894 -18.413 -11.700 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 -0.393 -18.164 -12.504 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 -0.361 -18.032 -10.960 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 7.843 -20.825 -11.548 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 8.769 -20.770 -11.234 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 7.310 -20.908 -10.719 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 11.646 -19.595 0.185 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 11.285 -18.819 0.659 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 12.603 -19.584 0.406 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 17.598 -24.179 -2.432 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 17.144 -23.598 -3.070 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 17.660 -25.039 -2.895 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 12.398 -24.868 -5.760 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 12.601 -24.158 -6.383 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 13.185 -25.443 -5.790 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 12.667 -15.874 -1.646 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 11.781 -16.256 -1.435 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 12.575 -15.552 -2.549 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 10.472 -20.170 -10.859 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 10.563 -19.515 -11.591 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 10.492 -19.634 -10.060 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 1.577 -19.684 -0.163 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 2.134 -20.312 -0.637 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 2.210 -19.194 0.417 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 13.840 -18.130 4.996 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 14.613 -17.563 4.909 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 13.106 -17.591 4.632 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 7.558 -16.977 -0.251 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 7.608 -16.814 0.715 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 7.177 -16.146 -0.615 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 0.538 -17.607 -9.566 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 1.403 -17.484 -9.130 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 0.040 -18.186 -8.956 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 4.763 -32.928 -10.733 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 4.950 -33.813 -11.073 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 5.459 -32.773 -10.084 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 6.876 -22.417 -13.559 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 7.263 -21.912 -12.807 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 5.988 -22.693 -13.230 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 10.054 -27.436 -2.206 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 9.765 -27.774 -1.340 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 9.312 -26.868 -2.504 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 6.153 -23.565 -4.081 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 6.140 -22.673 -4.466 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 6.714 -24.079 -4.693 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 3.794 -19.641 -10.250 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 2.994 -20.144 -10.451 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 3.996 -19.165 -11.085 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 14.949 -26.053 -5.922 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 15.658 -26.668 -6.204 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 15.276 -25.683 -5.091 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 9.724 -21.565 0.098 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 10.324 -20.787 0.139 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 10.149 -22.156 -0.535 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 6.903 -18.672 -13.007 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 6.974 -19.049 -13.910 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 7.208 -19.401 -12.423 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 10.223 -16.933 -0.979 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 9.244 -16.914 -1.012 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 10.422 -17.057 -0.033 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 11.768 -26.288 -11.957 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 11.538 -25.677 -12.687 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 12.018 -25.687 -11.218 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 10.278 -23.915 -4.241 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 10.063 -24.653 -3.644 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 11.104 -24.205 -4.693 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 3.667 -16.320 -6.265 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 2.995 -15.611 -6.188 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 3.540 -16.673 -7.171 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 1.854 -21.298 -14.858 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 1.818 -21.571 -13.926 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 2.321 -20.436 -14.836 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 6.109 -20.974 -9.485 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 5.316 -20.410 -9.612 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 5.890 -21.523 -8.706 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 4.651 -16.476 -1.195 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 5.117 -15.709 -0.818 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 4.740 -16.352 -2.166 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 3.794 -15.635 -11.055 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 3.081 -15.598 -11.741 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 3.895 -14.721 -10.772 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 8.895 -21.602 -3.615 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 9.563 -20.960 -3.277 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 9.424 -22.404 -3.836 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 10.623 -18.095 -12.627 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 11.307 -17.488 -12.931 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 9.841 -17.513 -12.463 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 13.733 -14.642 0.608 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 14.581 -15.107 0.594 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 13.304 -14.907 -0.230 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 11.375 -24.165 -13.692 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 10.437 -24.264 -13.987 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 11.606 -23.253 -13.949 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 4.370 -18.008 -12.370 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 4.339 -17.132 -11.932 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 5.321 -18.134 -12.593 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 1.837 -22.188 -12.062 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 1.440 -22.970 -12.513 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 1.073 -21.754 -11.623 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 8.411 -16.570 -12.249 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 7.869 -15.777 -12.220 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 7.789 -17.278 -12.530 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 8.160 -25.785 -3.261 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 7.366 -25.376 -2.891 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 8.082 -25.631 -4.219 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 0.652 -17.816 -13.947 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 0.143 -17.837 -14.765 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 1.489 -18.286 -14.171 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 1.166 -24.090 -13.958 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 0.833 -23.710 -14.782 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 2.002 -24.545 -14.224 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 3.228 -17.301 -8.844 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 3.496 -18.184 -9.177 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 3.438 -16.694 -9.583 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 3.767 -12.772 2.368 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 4.718 -12.743 2.625 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 3.420 -13.532 2.843 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 10.422 -17.603 1.775 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 9.524 -17.242 1.967 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 10.517 -18.358 2.411 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 3.086 -18.876 -14.600 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 3.799 -18.863 -15.285 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 3.538 -18.565 -13.782 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 5.802 -19.119 -0.318 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 6.379 -19.839 -0.646 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 6.382 -18.322 -0.328 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 9.987 -20.160 -14.394 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 10.196 -19.390 -13.834 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 10.794 -20.713 -14.350 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 10.547 -19.722 -2.435 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 11.099 -19.789 -1.634 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 10.271 -18.794 -2.450 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 3.448 -22.826 -9.780 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 2.824 -22.762 -10.528 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 4.257 -22.418 -10.113 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 4.402 -23.191 -12.745 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 3.637 -22.591 -12.718 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 4.023 -24.064 -12.512 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 1.052 -25.011 -2.441 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 1.493 -25.624 -3.073 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.119 -24.982 -2.742 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 1.938 -15.526 -13.036 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 1.472 -16.364 -13.231 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 1.631 -14.922 -13.719 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 -0.907 -14.901 -5.317 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 -1.471 -14.454 -5.953 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 -1.504 -15.102 -4.568 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 1.778 -14.431 -5.616 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.811 -14.613 -5.600 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 2.054 -14.533 -4.673 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 14.303 -19.817 -10.576 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 14.777 -19.058 -10.926 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 14.750 -20.006 -9.720 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 12.502 -24.397 -10.137 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 12.487 -23.463 -10.424 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 13.210 -24.430 -9.465 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 15.696 -20.234 -8.265 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 16.390 -20.941 -8.261 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 16.074 -19.533 -7.725 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 14.760 -22.282 -6.546 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 14.636 -23.012 -7.183 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 14.887 -21.498 -7.109 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 12.591 -21.815 -11.180 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 13.267 -21.130 -10.951 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 11.731 -21.367 -11.002 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 12.897 -27.488 -14.916 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 12.897 -27.196 -15.851 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 12.028 -27.231 -14.590 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 12.848 -26.487 -17.527 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 13.539 -25.823 -17.620 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 12.970 -27.071 -18.313 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 14.529 -24.486 -8.211 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 14.551 -25.118 -7.465 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 15.444 -24.502 -8.559 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 14.553 -29.124 -13.529 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 13.935 -28.536 -14.034 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 14.796 -28.593 -12.742 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 -0.499 -27.567 1.002 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 -1.206 -27.728 0.335 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 0.267 -28.013 0.637 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 8.045 -12.900 0.751 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 8.627 -13.458 1.318 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 8.615 -12.181 0.462 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 -0.120 -14.979 -1.698 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 -0.889 -14.874 -2.283 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 -0.407 -14.588 -0.850 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 3.207 -12.227 -2.122 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 2.947 -11.995 -1.205 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 2.945 -11.437 -2.652 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 5.429 -13.335 -3.214 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 4.615 -12.991 -2.775 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 5.590 -12.711 -3.930 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.257 -14.665 -2.994 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 1.445 -14.811 -2.466 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 2.636 -13.840 -2.623 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 3.311 -21.292 -6.829 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 4.070 -21.833 -7.125 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 2.556 -21.654 -7.325 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 5.039 -16.086 -3.871 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 4.610 -16.167 -4.751 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 5.169 -15.125 -3.756 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 12.178 -13.940 2.697 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 12.727 -14.202 1.917 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 12.466 -13.041 2.895 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 11.532 -22.574 14.758 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 12.383 -22.502 14.277 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 11.514 -21.792 15.324 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 10.489 -20.825 7.766 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 11.364 -21.233 7.590 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 9.855 -21.456 7.388 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 6.331 -17.914 12.300 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 6.706 -18.623 12.864 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 5.368 -18.040 12.378 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 3.945 -19.003 13.389 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 4.549 -19.699 13.684 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 3.547 -18.659 14.227 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.663 -24.385 12.816 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 3.192 -23.546 12.903 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 4.612 -24.141 12.973 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 8.810 -17.027 11.483 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 7.919 -17.401 11.660 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 9.116 -17.506 10.686 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 9.677 -18.567 9.114 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 10.022 -19.359 8.634 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 9.138 -18.113 8.456 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 14.360 -20.107 16.765 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 13.887 -19.787 15.965 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 13.727 -19.953 17.493 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 14.133 -22.440 13.671 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 14.150 -21.529 13.312 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.591 -22.973 12.987 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 10.582 -23.137 18.739 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 11.473 -22.968 19.100 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 10.322 -22.282 18.327 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 3.287 -21.145 8.494 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 3.148 -20.812 9.413 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 4.222 -21.367 8.466 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 10.515 -17.609 16.562 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 10.258 -16.690 16.354 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 11.141 -17.847 15.858 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 6.406 -14.953 8.418 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 6.146 -15.247 9.310 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.576 -13.996 8.525 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 14.591 -20.087 6.814 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 15.537 -20.148 6.567 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 14.231 -19.407 6.203 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 -4.723 -15.997 12.266 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 -4.621 -16.963 12.275 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 -4.934 -15.775 13.204 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 6.481 -12.280 9.086 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 6.977 -12.259 9.926 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 6.006 -11.421 9.071 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.840 -16.852 12.062 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.831 -16.083 12.674 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 3.219 -17.574 12.593 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 9.447 -14.180 2.672 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 10.426 -14.133 2.729 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 9.140 -13.901 3.564 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 10.316 -15.404 5.766 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 10.887 -15.813 5.084 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 10.609 -15.803 6.590 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 5.657 -21.740 15.685 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 6.079 -21.836 16.578 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 4.701 -21.673 15.883 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 12.856 -19.355 14.563 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 13.437 -19.523 13.788 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 12.062 -18.936 14.175 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 7.006 -20.079 14.004 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 7.754 -20.645 13.711 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 6.511 -20.650 14.635 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 13.418 -20.510 9.725 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 13.150 -21.346 9.315 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 13.889 -20.042 9.015 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 11.038 -19.839 11.184 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 10.545 -19.403 10.462 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 11.894 -20.079 10.777 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 4.634 -15.030 6.310 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 5.314 -15.151 7.007 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 4.132 -14.252 6.606 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 2.782 -20.066 10.934 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 3.128 -19.744 11.787 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 2.300 -19.293 10.566 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 1.001 -13.334 10.318 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 0.855 -14.129 9.765 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 1.922 -13.442 10.646 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 10.615 -18.218 13.347 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.987 -17.595 12.942 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 10.809 -18.860 12.627 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 7.877 -18.266 15.949 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 7.619 -18.851 15.209 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 8.847 -18.362 16.004 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 3.616 -18.630 1.272 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 4.424 -18.831 0.744 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 3.773 -17.739 1.611 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 5.848 -16.513 4.282 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 5.317 -17.292 4.457 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 5.497 -15.840 4.906 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 8.395 -13.543 5.102 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 8.062 -13.090 5.885 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 9.007 -14.228 5.463 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 3.864 -12.871 8.079 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 4.816 -12.674 8.131 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 3.638 -13.180 8.983 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 6.091 -23.356 13.480 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 7.007 -23.186 13.213 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 5.994 -22.865 14.323 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 2.418 -22.088 3.241 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.551 -21.646 3.267 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 3.002 -21.444 2.825 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 1.507 -17.819 9.926 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 1.993 -17.417 10.684 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 1.163 -17.051 9.435 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 7.964 -16.505 2.445 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 7.202 -16.501 3.072 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 8.371 -15.622 2.560 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 7.214 -18.002 20.223 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 7.227 -18.989 20.209 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 6.351 -17.783 20.636 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 12.006 -16.444 3.807 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 11.522 -16.882 3.080 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 12.199 -15.547 3.458 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 4.919 -22.644 -1.699 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 5.215 -23.124 -2.497 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 5.688 -22.099 -1.450 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 9.342 -20.983 17.637 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 9.462 -20.063 17.916 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 8.385 -21.151 17.768 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 6.970 -23.340 21.158 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 7.017 -23.371 22.124 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 6.918 -22.381 20.949 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 0.796 -15.389 8.441 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 1.571 -15.377 7.865 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 0.085 -14.985 7.897 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 -1.704 -12.115 10.261 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 -2.314 -12.374 9.542 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 -0.908 -12.654 10.109 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 10.499 -18.695 19.115 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 10.508 -18.206 18.259 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 10.226 -18.020 19.775 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 12.829 -22.129 7.039 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 13.113 -22.812 6.413 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 13.508 -21.421 6.943 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 9.108 -21.816 13.387 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 9.635 -21.377 12.702 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.773 -22.261 13.950 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 14.486 -22.816 17.410 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 14.033 -22.743 18.273 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 14.579 -21.887 17.107 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 15.915 -25.162 17.793 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 15.713 -24.208 17.671 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 15.088 -25.530 18.174 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 13.126 -27.048 11.776 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.760 -26.217 11.462 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 12.694 -27.187 12.648 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 13.512 -24.661 15.696 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 12.701 -24.253 15.352 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 13.866 -23.995 16.324 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 9.114 -15.039 16.678 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 9.488 -14.754 17.533 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 8.345 -15.589 16.930 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 7.918 -13.271 14.946 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 8.356 -13.891 15.573 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 8.038 -13.696 14.074 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 10.825 -13.388 13.118 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 11.001 -12.638 13.724 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 11.686 -13.799 12.996 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 -1.112 -14.017 6.977 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 -1.943 -13.615 7.269 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 -0.632 -13.282 6.540 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 6.390 -12.923 3.050 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 7.010 -13.165 3.761 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 6.940 -12.911 2.245 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -1.043 -15.915 3.769 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -1.432 -16.144 4.635 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -0.746 -14.989 3.875 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 11.783 -15.334 21.214 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 12.353 -15.392 21.985 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 11.106 -16.021 21.363 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 -3.371 -23.190 26.842 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 -4.073 -23.857 26.667 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 -3.642 -22.418 26.306 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 3.190 -28.257 28.823 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 3.776 -27.730 28.238 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 3.350 -27.901 29.699 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 6.880 -24.967 26.794 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 6.845 -24.493 25.942 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 7.800 -24.898 27.063 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 -2.454 -20.302 27.604 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 -3.081 -20.321 26.848 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 -2.518 -21.190 27.985 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 7.294 -18.334 23.942 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 6.700 -18.022 24.657 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 6.815 -19.089 23.554 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 8.295 -21.507 23.248 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 8.736 -21.076 22.492 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 7.406 -21.091 23.276 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 13.243 -22.915 23.970 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 12.964 -23.787 24.304 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 12.447 -22.571 23.518 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 3.697 -20.275 25.390 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 3.097 -20.839 25.922 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 3.090 -19.723 24.848 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 10.903 -22.445 22.582 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 10.176 -22.429 23.229 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 10.616 -21.807 21.889 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 2.473 -18.180 24.126 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 2.196 -17.671 24.908 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 3.107 -17.600 23.683 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 -1.209 -15.511 31.576 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 -0.922 -16.441 31.685 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 -1.016 -15.104 32.425 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 1.742 -16.873 28.611 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 2.052 -16.841 29.545 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 1.000 -16.234 28.588 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 9.617 -14.792 19.478 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 10.467 -14.445 19.804 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 9.492 -15.616 19.989 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 9.686 -20.694 20.899 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 8.766 -20.784 20.543 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 10.101 -20.035 20.312 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 1.906 -21.833 26.968 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 0.976 -22.028 27.205 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 2.365 -22.693 27.080 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 4.442 -24.088 24.571 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 4.505 -25.062 24.495 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 5.362 -23.780 24.429 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 -2.803 -30.721 30.405 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 -1.965 -31.140 30.091 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 -2.532 -29.847 30.696 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 4.693 -26.562 27.244 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 5.538 -26.058 27.244 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 4.562 -26.804 26.300 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -0.738 -22.834 27.345 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -1.698 -23.046 27.270 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -0.294 -23.687 27.166 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 -0.732 -23.534 24.201 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 -0.759 -24.263 23.569 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 -0.470 -23.965 25.047 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 0.455 -25.016 26.224 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 1.385 -24.829 26.484 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 0.382 -25.994 26.292 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 5.688 -20.540 23.358 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 5.016 -20.725 22.663 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 5.175 -20.572 24.193 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 9.349 -25.410 24.295 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 9.181 -26.376 24.300 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 10.326 -25.340 24.293 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 0.871 -19.501 28.167 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 1.387 -18.671 28.206 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 1.489 -20.152 27.782 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 4.656 -17.560 21.210 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 4.638 -17.051 22.051 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 4.270 -18.420 21.444 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 11.679 -24.741 21.290 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 12.253 -24.345 20.613 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 11.301 -23.967 21.764 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 3.009 -16.420 26.261 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 2.825 -15.498 26.018 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 2.597 -16.525 27.149 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 5.168 -17.904 25.591 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 4.789 -18.807 25.629 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 4.491 -17.346 26.031 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 0.559 -14.081 26.276 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 0.016 -13.288 26.186 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 0.441 -14.346 27.219 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 9.602 -17.090 21.147 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 9.772 -17.495 22.034 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 8.679 -17.367 20.933 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 9.977 -18.319 23.543 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 9.008 -18.279 23.725 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 10.304 -18.980 24.159 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 0.536 -14.949 22.335 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 0.839 -14.019 22.349 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 0.741 -15.249 21.428 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 7.175 -23.746 24.283 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 7.919 -24.391 24.205 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 7.595 -22.877 24.097 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 4.377 -16.059 23.490 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 3.791 -15.409 23.944 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 4.879 -16.475 24.219 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 3.010 -24.381 26.871 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 3.567 -24.135 26.099 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 3.498 -25.120 27.287 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 4.309 -26.912 24.562 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 4.638 -27.810 24.336 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 3.676 -26.702 23.836 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 2.684 -14.131 24.529 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 1.920 -14.025 25.134 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 2.462 -13.565 23.768 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 -0.043 -14.784 28.844 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 0.216 -14.761 29.778 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 -1.022 -14.667 28.868 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 3.933 -15.418 19.614 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 2.947 -15.369 19.667 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 4.162 -16.232 20.114 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 7.074 -16.514 17.865 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 7.154 -17.058 18.677 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 7.224 -17.157 17.130 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 3.477 -21.106 21.834 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 2.942 -21.652 22.453 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 3.539 -21.652 21.027 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 12.844 -20.104 19.078 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 13.480 -19.702 19.703 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 12.034 -19.554 19.168 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 4.397 -13.685 21.685 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 4.616 -14.335 22.378 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 4.353 -14.221 20.861 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 -9.600 -16.810 27.146 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 -9.653 -15.842 27.307 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 -10.517 -17.086 27.077 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 2.046 -16.562 31.289 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 1.307 -17.117 31.616 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 2.653 -16.511 32.032 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 13.099 -22.705 19.785 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 13.723 -22.744 20.548 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 13.006 -21.741 19.602 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 13.424 -25.906 18.682 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 13.155 -26.778 18.314 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 12.758 -25.294 18.345 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 -1.189 -19.156 29.872 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 -1.910 -19.436 29.282 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 -0.375 -19.334 29.347 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 12.147 -25.458 24.039 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 12.958 -25.996 24.147 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 11.974 -25.482 23.080 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 8.946 -28.104 24.774 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 8.872 -27.997 25.728 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 8.308 -28.822 24.565 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 11.127 -27.381 21.857 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 10.270 -27.622 21.448 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 11.304 -26.477 21.526 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 -4.952 -28.826 24.009 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 -4.493 -29.667 24.229 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 -4.744 -28.677 23.081 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 16.210 -29.398 27.494 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 15.899 -29.168 26.590 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 15.596 -28.944 28.076 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 1.540 -30.233 27.933 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 2.084 -30.497 27.163 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 2.106 -29.587 28.410 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 4.990 -29.453 23.759 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 5.875 -29.719 24.099 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 4.904 -29.944 22.918 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 7.402 -30.340 24.728 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 8.084 -31.034 24.588 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 6.921 -30.636 25.540 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 -2.628 -14.393 29.534 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 -2.244 -14.809 30.339 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -3.506 -14.120 29.805 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 0.857 -27.790 26.485 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 0.555 -28.541 27.024 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 1.803 -27.946 26.380 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 7.128 -13.876 18.773 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 8.021 -14.041 19.145 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 6.818 -14.766 18.508 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 2.568 -10.129 -3.730 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 2.506 -10.703 -4.528 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 2.118 -9.321 -3.986 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 2.342 -11.724 -5.917 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 2.338 -11.619 -6.871 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 2.173 -12.682 -5.780 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 6.550 -14.511 -0.951 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 6.258 -14.011 -1.744 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 6.984 -13.839 -0.388 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 -3.368 -13.830 -0.923 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 -2.592 -13.748 -0.323 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 -3.928 -13.078 -0.690 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 0.080 -11.519 1.332 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 -0.307 -10.613 1.300 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 0.982 -11.407 0.953 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 2.693 -11.289 0.412 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 3.313 -10.553 0.438 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 3.044 -11.922 1.090 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 4.774 -2.657 14.850 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 5.481 -2.719 15.527 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 5.148 -3.113 14.079 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 4.123 2.429 13.825 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 4.269 3.288 14.239 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 4.878 2.337 13.194 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 -1.132 -1.290 11.976 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 -1.412 -0.704 11.264 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 -0.964 -2.150 11.527 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 8.322 1.750 14.348 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 7.810 1.447 15.136 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 9.170 2.020 14.709 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 7.332 -9.170 11.021 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 7.546 -10.117 11.069 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 7.904 -8.766 11.683 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 5.360 -5.805 12.678 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 6.009 -5.224 13.132 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 5.846 -6.162 11.928 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 2.795 -5.992 13.544 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 2.329 -5.238 13.115 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 3.724 -5.917 13.220 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 1.308 -3.870 12.765 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 0.709 -3.670 12.020 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 1.270 -3.079 13.325 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 -1.139 0.528 16.281 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 -1.275 1.488 16.088 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 -0.705 0.185 15.468 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 1.897 -8.560 13.458 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 2.629 -8.982 12.991 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.174 -7.617 13.535 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 3.011 -0.955 17.360 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 3.562 -0.451 16.717 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 2.978 -0.378 18.147 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 5.946 -15.250 11.199 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 5.949 -16.180 11.496 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 6.710 -14.854 11.654 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 2.077 -2.089 14.956 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 2.120 -1.733 15.867 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 2.996 -2.381 14.774 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 6.460 2.355 12.462 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 6.963 2.545 11.667 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 7.145 2.120 13.131 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 2.293 2.525 21.635 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 1.342 2.435 21.380 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 2.356 3.413 22.004 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -0.200 2.133 20.714 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 -0.651 1.290 20.938 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 -0.319 2.218 19.760 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 1.500 2.126 14.831 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 1.140 1.293 14.453 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 2.369 2.230 14.393 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 1.009 1.664 17.613 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 1.318 2.002 16.750 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 0.229 1.124 17.389 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 5.403 -12.033 14.885 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 5.133 -12.109 15.823 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 6.266 -12.490 14.849 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 11.381 -11.260 14.822 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 10.592 -11.134 15.395 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 12.106 -10.885 15.332 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 3.410 -8.605 7.885 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 2.822 -9.354 7.673 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 4.113 -9.004 8.436 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 7.216 -5.447 18.320 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 6.793 -5.147 19.152 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 7.381 -6.394 18.465 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 -2.560 -9.914 11.558 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 -2.248 -10.627 10.956 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 -1.813 -9.786 12.178 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 6.839 0.967 16.497 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 5.970 0.684 16.156 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 6.692 1.067 17.463 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 1.600 -6.847 8.873 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 2.286 -7.328 8.356 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 1.455 -7.405 9.643 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 1.087 -4.219 8.545 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 1.266 -5.183 8.679 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 1.810 -3.922 7.987 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 9.202 -10.366 13.233 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 10.153 -10.560 13.304 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 8.902 -10.313 14.159 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 5.086 -9.990 9.676 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 4.641 -10.310 10.482 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 5.830 -9.445 10.015 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 1.882 -10.898 7.872 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 2.606 -11.557 7.948 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 1.626 -10.711 8.805 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 6.905 -3.337 16.528 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 7.203 -2.611 17.094 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 7.003 -4.139 17.098 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 4.455 0.169 15.361 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 4.608 -0.615 14.807 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 4.311 0.897 14.719 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 -1.312 -2.468 16.499 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 -1.363 -1.511 16.664 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 -2.203 -2.698 16.152 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 4.846 -11.458 12.242 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 4.824 -11.597 13.215 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 5.794 -11.519 12.018 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 7.085 -4.036 13.863 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 7.121 -3.906 14.836 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 7.851 -3.555 13.533 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 -3.623 -1.493 18.787 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -3.891 -0.854 18.101 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 -3.953 -2.359 18.453 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 3.752 -3.563 17.511 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 3.452 -2.634 17.606 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 4.145 -3.593 16.630 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 5.762 0.901 19.012 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 4.809 1.022 19.163 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 6.068 0.397 19.798 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 8.024 -8.246 18.462 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 8.448 -8.101 17.608 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 7.731 -9.184 18.428 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 8.944 -10.948 16.008 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 8.491 -10.834 16.867 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 8.565 -11.782 15.648 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 7.371 -10.930 18.273 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 7.579 -11.757 18.741 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 6.491 -11.095 17.883 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 2.054 -10.802 19.920 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 1.811 -11.217 19.065 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 3.031 -10.843 19.935 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 0.307 -0.240 14.079 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 -0.200 -0.605 13.319 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 0.911 -0.970 14.339 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 -2.278 -5.459 19.461 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 -1.632 -6.071 19.096 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 -2.540 -5.873 20.326 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 -0.601 -9.535 13.388 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 0.238 -9.015 13.424 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 -1.057 -9.317 14.228 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -0.542 -3.588 10.603 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 0.059 -3.683 9.821 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -1.140 -4.343 10.531 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 -3.813 -12.421 8.453 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 -4.624 -12.594 8.951 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 -4.092 -11.817 7.748 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 -1.215 -0.354 21.387 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 -0.434 -0.948 21.417 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 -1.896 -0.884 20.933 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 7.578 -11.914 11.674 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 7.829 -12.848 11.839 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 8.192 -11.398 12.248 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 1.182 -10.560 10.518 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 1.031 -11.526 10.569 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 0.558 -10.188 11.155 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 0.210 -11.766 5.885 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 0.881 -11.587 6.585 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -0.020 -10.890 5.555 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 3.728 -13.523 10.751 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 4.013 -12.784 11.331 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 4.362 -14.244 10.953 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 8.425 -14.434 12.379 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 9.325 -14.067 12.566 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 8.605 -15.349 12.060 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 -0.365 -13.172 3.580 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 -0.074 -12.727 4.403 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 -0.125 -12.543 2.870 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 5.106 -12.430 17.616 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 4.658 -12.073 18.408 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 5.779 -13.047 17.983 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 8.215 -8.023 21.187 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 9.166 -8.052 21.324 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 8.110 -8.068 20.212 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 4.913 -2.198 22.662 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 4.249 -1.516 22.421 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.545 -2.619 23.446 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 4.769 -11.366 20.184 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 4.752 -12.121 20.814 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 5.450 -10.777 20.537 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 1.273 -6.800 22.462 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 1.016 -5.923 22.111 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 1.091 -7.414 21.718 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -1.712 -8.526 24.645 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 -1.920 -7.566 24.556 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 -0.756 -8.541 24.883 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 1.004 -8.390 24.711 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 1.026 -7.846 23.895 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 1.805 -8.125 25.187 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 0.970 -4.500 20.894 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 0.940 -3.587 21.261 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 1.906 -4.612 20.605 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 3.373 -6.700 24.260 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 4.189 -6.683 23.752 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 2.668 -6.634 23.586 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 -1.627 -3.620 23.117 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 -1.052 -2.922 23.479 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 -1.731 -3.379 22.172 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 2.936 1.014 19.391 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 2.240 1.265 18.735 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 2.823 1.666 20.116 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 3.118 -0.180 21.930 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 3.220 -0.068 20.965 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 2.923 0.722 22.252 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 0.013 -1.751 24.455 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 -0.387 -0.848 24.419 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 0.083 -1.940 25.397 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 1.944 -12.579 22.168 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 1.783 -11.903 21.480 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 2.856 -12.891 21.986 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 1.018 -1.948 21.943 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 0.746 -1.964 22.888 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 1.799 -1.358 21.930 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 -2.407 -5.913 24.287 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 -2.965 -5.520 24.965 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 -2.005 -5.133 23.825 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 3.365 -5.032 19.775 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 4.278 -5.092 20.119 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 3.466 -4.561 18.914 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 6.577 -0.569 21.187 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 6.069 -1.204 21.732 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 7.451 -0.562 21.583 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 5.931 -4.716 20.757 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 5.721 -3.877 21.195 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 6.173 -5.320 21.496 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 -1.119 0.665 23.993 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 -1.527 1.532 24.081 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 -1.287 0.413 23.060 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 -4.227 -9.632 24.411 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 -3.338 -9.253 24.597 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 -4.318 -10.344 25.048 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 -0.976 -9.932 22.371 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 -0.230 -10.397 22.771 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 -1.328 -9.375 23.097 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 6.532 -6.502 22.711 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 6.876 -6.598 23.603 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 7.090 -7.109 22.170 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 20.004 -57.511 -1.122 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 20.138 -57.506 -0.151 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 20.422 -56.668 -1.425 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 22.872 -54.973 -5.758 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 23.348 -55.739 -5.429 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 23.295 -54.781 -6.629 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 21.180 -55.209 -1.862 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 20.752 -54.407 -2.217 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 22.008 -54.880 -1.459 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 20.454 -53.711 -5.529 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 20.330 -53.397 -6.445 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 21.280 -54.243 -5.568 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 24.208 -54.223 -7.986 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 24.616 -53.568 -7.382 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 23.911 -53.689 -8.750 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 19.897 -52.984 -2.974 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 18.924 -52.890 -3.028 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 20.160 -53.251 -3.893 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 20.501 -56.990 1.525 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 20.415 -56.013 1.406 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 20.200 -57.141 2.442 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 12.795 -52.488 -6.308 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 11.954 -52.148 -6.693 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 13.459 -51.852 -6.596 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 21.879 -51.036 -2.966 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 21.757 -50.595 -2.099 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 21.190 -51.725 -2.983 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 20.120 -48.622 -8.011 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 20.601 -48.241 -7.243 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 19.356 -48.036 -8.127 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 23.057 -57.311 0.522 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 22.143 -57.210 0.869 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 23.388 -58.099 0.961 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 20.145 -59.279 -3.222 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 20.873 -58.998 -3.779 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 20.220 -58.715 -2.423 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 24.523 -52.527 -5.851 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 24.250 -51.617 -5.619 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 23.888 -53.090 -5.387 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 23.196 -52.300 -9.666 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 22.959 -51.603 -9.013 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 23.423 -51.810 -10.461 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 20.065 -52.149 -0.279 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 20.054 -52.358 -1.228 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 20.391 -51.225 -0.240 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 23.609 -54.849 -0.532 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 24.452 -55.017 -0.962 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 23.364 -55.718 -0.135 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 22.260 -55.364 4.102 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 22.647 -55.018 3.272 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 22.144 -54.569 4.655 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 19.006 -50.763 -9.330 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 19.424 -51.568 -8.964 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 19.487 -50.027 -8.895 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 15.739 -57.206 -6.728 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 16.650 -57.182 -7.035 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 15.810 -57.081 -5.756 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 16.574 -60.945 2.013 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 17.231 -61.302 1.410 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 15.771 -61.500 1.851 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 13.250 -57.567 -7.696 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 14.161 -57.504 -7.317 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 13.270 -56.963 -8.457 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 21.470 -49.740 -0.576 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 21.512 -48.792 -0.810 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 22.139 -49.837 0.140 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 23.147 -50.180 -5.184 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 22.763 -50.524 -4.340 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 22.734 -49.299 -5.290 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 20.651 -52.742 -8.163 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 21.217 -53.229 -8.781 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 21.205 -51.982 -7.882 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 22.245 -50.575 -7.768 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 21.657 -49.798 -7.845 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 22.661 -50.473 -6.883 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 17.271 -49.810 -11.181 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 16.826 -50.581 -11.597 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 17.956 -50.217 -10.597 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 11.265 -60.677 -9.369 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 11.058 -60.176 -10.165 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 11.342 -61.586 -9.674 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 15.897 -57.823 6.951 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 15.701 -58.724 7.249 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 16.559 -57.945 6.228 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 15.315 -59.830 10.094 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 14.982 -60.071 10.985 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 16.252 -60.142 10.097 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 12.484 -60.924 10.631 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 13.142 -61.201 9.981 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 12.966 -60.950 11.482 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 19.010 -58.002 9.461 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 19.870 -57.692 9.166 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 18.401 -57.262 9.245 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 16.502 -54.996 14.453 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 17.352 -54.518 14.476 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 15.831 -54.295 14.622 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 20.775 -50.630 6.434 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 20.460 -50.470 7.344 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 20.308 -49.952 5.899 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 19.712 -56.382 4.147 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 19.305 -55.492 4.239 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 20.681 -56.201 4.184 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 17.956 -60.343 10.377 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 18.344 -59.483 10.089 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 18.720 -60.884 10.593 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 17.192 -56.094 8.714 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 16.723 -56.546 7.981 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 17.184 -55.144 8.457 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 21.506 -52.853 5.057 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 20.631 -53.242 4.865 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 21.305 -52.107 5.675 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 23.006 -53.815 1.979 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 23.339 -53.886 1.061 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 23.289 -52.924 2.271 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 20.533 -48.882 2.690 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 21.026 -48.103 2.354 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 19.878 -49.076 1.981 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 18.997 -51.336 2.984 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 19.874 -50.985 3.200 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 18.653 -50.708 2.311 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 23.305 -51.554 3.472 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 23.722 -51.102 4.211 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 22.614 -52.115 3.897 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 17.981 -47.095 2.617 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 18.372 -46.356 2.122 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 18.194 -47.892 2.076 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 17.582 -57.984 4.837 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 17.593 -58.636 4.126 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 18.395 -57.449 4.685 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 17.760 -51.700 5.788 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 18.150 -51.183 5.059 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 17.461 -51.019 6.428 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 23.234 -49.604 1.495 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 22.927 -48.809 1.956 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 23.232 -50.298 2.184 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 20.364 -54.271 1.421 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 21.277 -54.088 1.722 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 20.150 -53.509 0.837 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 18.920 -53.741 4.382 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 18.431 -53.154 4.996 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 19.009 -53.205 3.565 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 21.962 -46.819 1.572 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 22.147 -47.075 0.643 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 21.753 -45.865 1.515 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 16.739 -50.084 7.725 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 16.275 -49.264 7.511 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 16.078 -50.611 8.233 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 17.132 -53.407 7.945 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 17.392 -52.920 7.137 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 16.362 -52.907 8.288 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 16.051 -57.287 10.910 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 15.761 -58.143 10.534 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 16.485 -56.829 10.157 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 13.428 -58.150 13.741 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 14.382 -57.935 13.852 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 12.962 -57.382 14.149 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 18.364 -52.946 14.140 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 18.854 -52.327 13.557 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 18.327 -52.489 14.989 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 18.733 -52.413 9.993 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 18.107 -52.755 10.674 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 18.448 -52.859 9.170 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 21.592 -34.005 -16.695 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 21.429 -33.344 -17.376 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 22.544 -34.144 -16.720 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 19.378 -34.740 -15.284 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 20.166 -34.469 -15.807 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 19.702 -35.481 -14.736 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 16.437 -32.205 -18.279 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 16.846 -33.025 -17.931 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 16.051 -32.475 -19.141 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 19.641 -30.449 -12.390 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 19.273 -31.265 -12.798 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 20.576 -30.638 -12.294 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 17.782 -37.216 -18.281 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 18.633 -37.245 -18.729 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 17.803 -37.997 -17.674 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 17.431 -34.608 -17.263 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 18.046 -34.647 -16.503 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 17.483 -35.501 -17.658 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 16.927 -39.842 -4.218 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 16.102 -39.477 -3.816 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 17.138 -40.613 -3.666 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 20.020 -39.712 -7.522 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 19.081 -39.820 -7.268 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 20.349 -40.630 -7.610 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 17.487 -42.893 -7.200 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 17.652 -43.579 -6.525 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 17.238 -43.394 -7.996 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 27.909 -38.580 -6.017 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 28.712 -38.623 -6.541 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 27.303 -39.211 -6.450 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 19.074 -42.331 -10.171 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 19.582 -42.350 -9.342 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 18.220 -42.739 -9.938 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 25.606 -39.506 -7.304 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 25.607 -38.588 -7.012 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 24.704 -39.635 -7.677 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 18.173 -42.633 -3.010 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 18.285 -43.070 -3.870 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 18.185 -43.379 -2.358 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 16.933 -35.242 -8.418 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 16.414 -35.884 -7.883 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 17.812 -35.665 -8.504 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 21.066 -42.253 -7.764 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 21.900 -42.373 -8.231 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 21.230 -42.652 -6.880 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 22.952 -39.563 -7.837 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 22.434 -39.729 -7.036 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 22.293 -39.301 -8.490 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 24.468 -41.676 -5.774 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 24.619 -41.138 -4.969 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 24.972 -41.213 -6.461 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 14.649 -38.942 -2.971 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 13.979 -38.298 -2.704 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 14.705 -39.553 -2.198 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 18.034 -38.237 -10.552 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 17.717 -37.482 -11.095 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 17.224 -38.567 -10.103 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 23.474 -34.141 -2.482 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 23.578 -33.343 -3.061 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 22.510 -34.276 -2.436 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 16.483 -30.043 -6.842 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 16.426 -30.947 -7.233 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 15.751 -30.025 -6.186 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 21.485 -48.024 -5.703 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 21.656 -47.186 -5.209 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 20.686 -48.396 -5.272 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 19.194 -38.397 -3.487 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 18.396 -38.927 -3.680 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 19.222 -37.736 -4.217 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 18.774 -40.365 -12.158 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 18.577 -39.606 -11.563 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 18.990 -41.099 -11.541 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 16.470 -43.616 -9.749 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 15.935 -43.219 -10.470 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 16.221 -44.568 -9.771 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 16.976 -40.800 -14.203 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 17.588 -40.671 -13.446 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 16.779 -41.743 -14.190 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 15.760 -46.235 -10.043 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 14.852 -46.578 -10.080 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 16.219 -46.835 -9.415 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 22.197 -43.179 -5.402 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 23.056 -42.729 -5.576 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 21.972 -42.916 -4.481 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 25.335 -36.043 -1.887 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 25.793 -36.409 -2.682 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 24.767 -35.325 -2.246 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 17.339 -40.197 -6.898 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 17.363 -41.180 -6.985 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 17.246 -40.046 -5.927 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 21.316 -39.613 0.075 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 21.184 -38.861 -0.541 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 20.724 -40.316 -0.277 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 26.326 -37.460 -4.017 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 27.031 -37.669 -4.664 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 25.821 -38.289 -3.945 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 15.035 -39.151 -15.009 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 15.725 -39.796 -14.720 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 14.387 -39.138 -14.257 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 17.130 -36.061 -11.952 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 16.905 -36.348 -12.869 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 16.308 -35.636 -11.624 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 17.453 -29.406 -11.138 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 18.242 -29.595 -11.698 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 17.783 -29.509 -10.221 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 19.608 -34.833 -11.772 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 18.739 -35.266 -11.639 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 19.383 -33.969 -12.166 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 19.155 -38.580 -14.400 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 19.159 -39.229 -13.669 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 19.780 -37.882 -14.105 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.219 -48.293 -8.848 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 17.206 -48.675 -9.748 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 17.207 -49.061 -8.268 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 15.067 -34.962 -10.509 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 14.264 -34.975 -9.978 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 15.792 -34.988 -9.846 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 25.029 -39.961 -3.701 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 24.359 -39.390 -3.256 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 25.446 -40.442 -2.978 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 20.715 -36.510 -13.539 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 20.355 -35.948 -12.808 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 21.653 -36.582 -13.339 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 23.607 -38.158 -2.291 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 24.074 -37.308 -2.176 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 22.657 -37.930 -2.175 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 21.007 -37.540 -1.744 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 20.794 -36.598 -1.803 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 20.336 -37.977 -2.335 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 24.058 -39.047 0.239 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 23.189 -39.441 0.446 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.997 -38.828 -0.711 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 17.044 -40.244 0.057 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 17.044 -39.310 -0.258 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 16.171 -40.593 -0.251 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 21.702 -45.731 -4.282 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 21.885 -44.917 -4.795 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 21.273 -45.407 -3.464 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 21.453 -42.754 -2.790 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 21.015 -42.028 -2.322 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 21.019 -43.563 -2.435 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 21.171 -44.296 0.711 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 20.965 -44.482 -0.234 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 21.209 -43.329 0.760 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 19.434 -41.291 -1.030 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 19.030 -41.707 -1.825 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 18.668 -40.926 -0.543 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 22.153 -47.089 -1.146 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 22.832 -47.079 -1.832 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 21.509 -46.400 -1.435 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 19.570 -42.140 2.367 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 19.085 -41.296 2.258 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 18.999 -42.799 1.940 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 13.803 -31.551 -10.972 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 13.761 -32.095 -10.169 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 14.625 -31.829 -11.408 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 15.683 -37.337 -7.186 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 16.076 -37.854 -6.469 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 15.699 -37.944 -7.956 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 24.426 -33.144 -0.116 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 25.286 -33.540 0.128 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 24.219 -33.542 -0.986 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 23.814 -31.821 -3.831 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 23.058 -31.290 -4.176 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 24.543 -31.197 -3.803 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 21.576 -27.535 -5.985 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 20.871 -27.474 -6.667 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 22.346 -27.854 -6.468 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 21.884 -30.154 -4.771 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.031 -30.648 -4.758 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 21.619 -29.228 -4.893 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 16.081 -32.557 -7.945 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 15.121 -32.730 -7.951 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 16.484 -33.441 -8.064 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 19.117 -37.120 -8.262 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 18.827 -37.469 -9.131 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 19.577 -37.877 -7.848 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 19.222 -36.494 -5.387 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 19.175 -35.584 -5.031 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 19.214 -36.377 -6.351 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 13.891 -52.775 -10.696 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 13.374 -51.943 -10.569 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 14.572 -52.532 -11.344 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 18.439 -48.056 -13.076 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 18.054 -47.213 -12.760 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 18.168 -48.708 -12.408 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 17.223 -45.710 -12.266 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 16.591 -45.901 -11.535 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 17.659 -44.893 -11.992 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 18.664 -32.805 -13.402 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 17.710 -32.615 -13.416 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 18.799 -33.427 -14.151 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 23.249 -31.103 12.927 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 22.623 -31.756 13.297 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 23.830 -30.887 13.670 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 20.937 -40.360 13.052 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 21.002 -40.472 12.077 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 20.027 -40.041 13.194 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 17.111 -45.696 14.548 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 16.904 -44.863 14.112 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 17.390 -46.287 13.820 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 19.517 -41.349 8.167 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 20.155 -41.873 7.651 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 19.009 -40.858 7.489 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 19.225 -50.964 12.389 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 19.803 -50.206 12.224 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 19.160 -51.410 11.518 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 20.940 -36.889 14.863 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 21.432 -37.009 14.021 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 20.544 -37.764 15.034 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 16.337 -49.234 16.087 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 16.428 -49.442 15.139 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 15.494 -49.656 16.346 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 22.758 -42.475 8.818 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 23.659 -42.266 8.562 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 22.279 -42.571 7.968 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 19.902 -42.955 13.411 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 20.534 -42.327 13.022 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 19.155 -42.378 13.714 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 21.124 -40.927 10.382 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 21.744 -41.586 10.000 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 20.372 -40.918 9.748 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 21.786 -35.625 17.099 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 21.329 -36.279 17.663 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 21.704 -35.996 16.193 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 24.709 -36.936 9.814 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 24.079 -37.677 9.978 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 25.429 -37.104 10.425 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 19.313 -35.275 19.717 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 20.062 -35.203 20.321 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 19.472 -36.122 19.238 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 18.632 -40.119 5.849 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 19.433 -40.387 5.358 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 18.335 -39.311 5.394 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 19.240 -34.371 17.076 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 20.204 -34.497 16.984 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 19.077 -34.492 18.031 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 23.951 -32.385 9.821 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 23.828 -33.282 9.444 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 23.822 -32.504 10.773 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 25.750 -34.537 4.457 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 26.041 -35.341 4.903 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 25.349 -33.998 5.174 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 23.717 -34.780 8.432 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 24.137 -35.527 8.920 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 23.007 -35.212 7.901 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 20.144 -45.537 12.674 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 19.906 -44.624 12.960 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 21.072 -45.473 12.439 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 21.343 -42.628 6.454 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 21.284 -41.924 5.766 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 21.184 -43.446 5.967 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 18.498 -44.620 1.266 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 18.407 -44.606 0.274 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 19.466 -44.599 1.412 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 19.181 -48.810 5.141 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 19.582 -48.721 4.248 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 18.636 -48.006 5.238 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 18.388 -39.639 2.369 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 17.940 -38.995 2.944 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 17.795 -39.723 1.588 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 16.445 -37.654 -0.493 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 15.501 -37.963 -0.445 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 16.426 -36.769 -0.082 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 18.878 -38.476 15.823 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 18.911 -39.293 16.366 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 18.255 -38.711 15.085 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 18.716 -47.772 9.967 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 19.012 -47.050 9.403 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 18.973 -48.583 9.475 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 19.599 -45.049 17.741 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 19.006 -45.731 17.361 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 20.098 -44.702 16.966 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 21.937 -36.114 6.854 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 21.920 -36.220 5.874 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 21.651 -36.971 7.186 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 23.754 -35.283 2.691 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 24.500 -34.978 3.250 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 24.191 -35.746 1.944 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 20.895 -41.188 20.702 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 21.830 -41.396 20.775 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 20.614 -41.628 19.863 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 19.154 -38.071 12.509 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 18.813 -37.318 11.986 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 18.340 -38.517 12.853 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 23.110 -38.955 10.681 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 22.686 -38.424 11.387 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 22.466 -39.668 10.503 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 21.685 -37.261 12.272 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 20.831 -37.752 12.344 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 21.456 -36.464 11.777 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 21.769 -33.436 3.313 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 21.156 -33.930 3.895 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 22.446 -34.101 3.056 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 20.859 -40.916 4.413 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 21.182 -40.111 3.960 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 20.488 -41.466 3.683 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 16.934 -53.229 11.785 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 16.233 -53.920 11.779 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 17.319 -53.286 12.684 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 18.171 -29.226 20.049 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 18.459 -30.004 20.566 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 18.980 -28.685 19.954 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 26.842 -34.336 0.609 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 26.419 -35.194 0.838 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 27.460 -34.559 -0.096 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 13.468 -37.956 21.476 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 14.377 -38.278 21.481 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 13.289 -37.759 20.531 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 25.322 -36.617 0.773 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 25.314 -36.437 -0.195 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 24.992 -37.539 0.844 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 18.278 -40.980 16.842 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 18.350 -41.114 15.862 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 17.321 -40.860 16.995 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 21.915 -36.679 4.200 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 21.575 -37.449 3.695 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 22.582 -36.282 3.608 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 20.901 -43.520 15.904 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 20.478 -43.452 15.026 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 21.418 -42.694 15.981 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 20.980 -38.761 2.658 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 20.017 -38.938 2.629 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 21.291 -39.010 1.760 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 19.728 -42.427 18.615 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 19.811 -43.319 18.211 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 19.293 -41.887 17.913 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 18.169 -47.384 12.608 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 18.928 -46.773 12.764 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 18.216 -47.575 11.643 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 22.103 -41.004 15.433 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 22.867 -40.429 15.385 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 21.602 -40.806 14.611 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 18.698 -42.965 21.100 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 18.844 -42.849 20.137 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 19.415 -42.453 21.510 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 19.312 -45.662 20.421 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 19.537 -45.485 19.485 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 19.069 -44.791 20.778 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 17.614 -46.935 16.925 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 17.211 -47.817 16.754 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 17.379 -46.409 16.127 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 19.909 -37.418 18.170 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.586 -37.725 17.300 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 19.637 -38.138 18.793 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 24.085 -34.080 17.049 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 23.258 -34.605 17.136 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 24.343 -33.886 17.981 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 22.002 -33.070 14.475 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 22.601 -33.835 14.321 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 21.169 -33.313 14.000 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 19.290 -50.101 8.695 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 18.414 -50.029 8.253 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 19.234 -50.943 9.195 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 17.498 -46.414 5.144 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 16.957 -45.622 5.025 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 17.665 -46.728 4.225 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 24.171 -31.630 2.165 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 25.123 -31.734 2.348 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 24.053 -32.055 1.290 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 16.996 -46.943 19.657 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 17.208 -46.943 18.702 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 17.822 -46.636 20.085 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 14.216 -39.689 25.681 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 15.000 -40.226 25.430 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 13.587 -40.346 26.059 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 18.340 -31.428 21.775 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 18.082 -31.108 22.670 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 19.139 -31.944 21.928 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 13.717 -42.900 23.061 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 14.654 -42.855 22.786 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 13.435 -41.952 23.099 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 15.406 -40.982 19.712 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 14.515 -41.385 19.624 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 15.637 -40.722 18.801 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 16.129 -41.380 24.694 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 16.150 -41.486 23.720 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 16.154 -42.280 25.029 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 16.432 -35.843 23.125 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 16.328 -36.566 23.772 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 15.683 -35.247 23.321 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 16.206 -42.173 22.046 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 15.918 -41.659 21.256 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 17.049 -42.589 21.764 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 15.289 -28.881 24.969 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 15.035 -28.027 24.555 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 14.518 -29.474 24.790 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 19.016 -39.330 19.838 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 19.687 -39.916 20.244 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 18.178 -39.778 20.005 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 14.291 -34.239 23.636 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 14.076 -33.795 24.487 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 13.642 -34.982 23.586 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 13.391 -30.692 24.429 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 13.301 -31.494 24.984 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 12.469 -30.450 24.200 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.212 -30.981 26.546 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 18.782 -31.255 27.269 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 17.523 -30.426 26.980 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 16.846 -34.599 20.745 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 16.762 -35.219 21.507 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 17.689 -34.859 20.318 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 15.217 -29.728 -18.573 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 15.715 -30.546 -18.779 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 15.180 -29.719 -17.594 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 15.133 -30.249 -15.903 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 14.998 -29.806 -15.036 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 15.988 -30.692 -15.812 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 16.523 -22.515 -4.436 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 15.769 -22.447 -5.068 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 17.307 -22.422 -4.997 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 11.646 -30.180 -13.719 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 11.929 -30.390 -14.632 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 10.685 -29.997 -13.802 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 17.285 -24.880 -8.025 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 17.251 -25.674 -7.463 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 18.033 -25.050 -8.634 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 19.568 -25.134 -9.587 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 19.929 -24.341 -9.123 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 19.621 -24.905 -10.522 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 20.515 -25.438 -4.520 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 21.011 -26.176 -4.937 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 21.085 -25.160 -3.769 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 20.302 -22.843 -8.224 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 20.297 -22.900 -7.234 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 20.973 -22.178 -8.417 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 21.505 -19.812 -1.096 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 21.639 -18.875 -1.291 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 20.524 -19.930 -1.145 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 19.107 -34.161 -3.863 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 18.197 -33.998 -3.531 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 19.654 -34.217 -3.053 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 23.859 -21.303 -0.967 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 23.866 -21.789 -0.121 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 23.075 -20.725 -0.905 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 19.714 -22.867 -1.316 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.435 -21.949 -1.467 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.964 -23.406 -1.663 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 17.821 -17.361 -0.990 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 18.112 -16.446 -0.977 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 16.847 -17.304 -0.885 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 16.345 -20.949 -2.140 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 15.543 -20.440 -2.300 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 16.412 -21.543 -2.921 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 18.800 -19.931 -1.390 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 18.528 -19.010 -1.174 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 17.979 -20.343 -1.730 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 18.810 -28.576 -2.645 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 18.294 -29.406 -2.666 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 18.293 -27.953 -3.185 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 19.532 -31.516 -4.597 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 18.886 -31.233 -3.925 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 19.485 -32.491 -4.577 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 20.181 -22.859 -5.513 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 20.241 -23.759 -5.131 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 20.566 -22.277 -4.820 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 21.946 -24.177 -2.567 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 22.665 -23.599 -2.900 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.255 -23.552 -2.264 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 15.078 -28.045 -11.110 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 15.345 -27.111 -11.278 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 15.934 -28.524 -11.012 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 14.085 -23.776 -12.839 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 13.745 -23.157 -12.173 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 13.284 -24.209 -13.191 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.310 -22.799 1.364 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 23.879 -23.598 1.456 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.413 -23.168 1.186 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 19.687 -27.420 -7.990 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 19.398 -28.242 -8.445 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 19.702 -26.741 -8.699 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 14.337 -19.239 0.944 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 14.941 -20.013 0.857 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 14.292 -19.088 1.896 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 23.937 -22.399 -3.401 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 24.054 -21.991 -2.508 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 24.833 -22.468 -3.748 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 21.417 -21.344 -3.561 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 22.348 -21.624 -3.664 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 21.418 -20.806 -2.755 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 22.390 -25.841 -0.460 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 21.864 -26.667 -0.600 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 22.316 -25.364 -1.314 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 20.802 -27.956 -0.902 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 20.845 -28.774 -0.401 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 20.123 -28.134 -1.593 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 19.077 -24.145 2.967 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 19.742 -23.995 2.260 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 19.154 -23.358 3.542 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 17.678 -31.150 -2.463 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 17.152 -31.932 -2.725 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 18.067 -31.404 -1.600 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 23.990 -25.466 1.683 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 23.380 -25.901 2.302 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 23.632 -25.696 0.798 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 26.550 -31.309 7.287 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 26.092 -30.453 7.484 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 27.204 -31.392 7.990 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.595 -22.128 -7.926 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 17.338 -23.070 -7.848 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 18.562 -22.158 -8.040 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 17.302 -27.397 -6.624 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 16.986 -28.329 -6.669 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.217 -27.439 -6.984 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 17.947 -26.333 -4.143 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.877 -26.016 -4.233 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 17.737 -26.704 -5.021 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 16.078 -31.281 -12.702 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 15.437 -30.618 -13.034 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 16.612 -30.786 -12.049 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 15.081 -16.984 -0.605 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 14.266 -16.701 -1.065 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 14.798 -17.753 -0.069 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 18.516 -29.820 -8.644 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 18.957 -30.680 -8.672 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 17.845 -29.919 -7.930 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 15.941 -25.617 -12.002 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 15.257 -24.950 -12.238 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 16.573 -25.569 -12.723 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 26.731 -32.632 2.735 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 26.947 -33.089 1.895 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 26.499 -33.361 3.349 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 15.753 -23.769 11.897 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 15.983 -23.830 10.951 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 16.618 -23.624 12.337 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.679 -21.799 9.011 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.964 -21.484 9.888 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 18.103 -22.567 9.210 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 19.555 -25.894 10.137 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 19.789 -26.622 9.513 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 19.781 -26.255 11.011 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 17.428 -24.173 9.670 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 17.009 -24.524 8.845 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.184 -24.781 9.833 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 21.324 -24.742 8.201 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 21.065 -23.871 7.844 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 20.726 -24.881 8.956 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 20.578 -24.262 14.342 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 20.636 -23.825 15.228 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 21.013 -25.134 14.478 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 17.260 -19.923 6.009 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 17.727 -19.934 6.853 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 17.712 -19.215 5.492 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 18.879 -35.519 11.457 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 19.228 -34.748 11.960 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 18.529 -35.132 10.637 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.436 -22.277 6.999 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.797 -22.050 7.715 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 19.885 -22.317 6.192 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 21.497 -22.065 12.972 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 22.415 -21.964 13.247 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 21.182 -22.848 13.475 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 16.639 -20.606 18.295 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 16.019 -20.340 17.587 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 16.170 -20.380 19.118 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 22.618 -21.097 5.887 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 21.881 -21.533 6.379 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 23.189 -20.746 6.580 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 16.917 -20.613 12.696 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 17.752 -20.809 12.233 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 17.106 -20.816 13.623 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.688 -29.045 16.273 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 23.361 -29.755 16.202 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 21.858 -29.482 15.992 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 21.892 -25.996 3.474 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 22.579 -26.008 4.169 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 21.655 -25.059 3.393 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 20.243 -27.746 12.434 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 20.612 -28.473 11.879 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 21.023 -27.355 12.862 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 21.997 -26.904 6.728 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 22.770 -26.549 6.246 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 21.719 -26.159 7.312 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 19.916 -27.359 4.772 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 20.451 -27.341 5.583 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 20.488 -26.932 4.103 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 22.931 -30.013 8.985 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 22.353 -29.907 9.766 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 23.354 -30.891 9.123 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 14.876 -22.555 21.830 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 15.521 -23.301 21.787 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 14.425 -22.676 22.699 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 18.300 -23.423 12.926 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 19.069 -23.840 13.376 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 18.700 -22.779 12.319 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 23.918 -25.518 5.250 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 24.830 -25.566 4.940 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 23.623 -24.613 4.990 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 25.882 -30.835 4.645 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 26.335 -30.993 5.496 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 26.448 -31.283 3.984 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 19.424 -21.018 11.640 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 19.618 -20.072 11.607 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 20.224 -21.411 12.074 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 16.738 -22.709 15.087 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 15.810 -22.623 14.799 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 17.205 -23.052 14.301 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 18.902 -21.809 4.631 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 18.127 -21.298 4.939 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 19.534 -21.124 4.324 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 25.213 -29.037 7.873 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 25.128 -28.082 7.803 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 24.370 -29.324 8.294 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 20.511 -28.054 8.784 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 20.768 -28.922 9.121 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 21.153 -27.874 8.068 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 22.353 -28.965 19.108 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 22.473 -28.883 18.143 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 21.631 -28.341 19.314 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 24.124 -34.733 14.380 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 24.251 -34.519 15.332 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 24.989 -35.026 14.087 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 20.857 -19.962 4.070 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 21.586 -20.243 4.662 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 21.244 -20.032 3.162 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 21.910 -20.404 1.636 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 22.473 -21.198 1.568 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 21.679 -20.194 0.713 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 15.176 -20.124 20.644 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 15.076 -21.005 21.077 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 15.773 -19.642 21.226 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.921 -23.223 4.147 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 22.832 -22.435 4.724 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 23.131 -22.855 3.271 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 18.133 -22.738 17.453 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 17.660 -22.814 16.594 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 17.705 -21.966 17.891 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 20.909 -23.951 0.911 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 20.439 -23.556 0.141 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 21.329 -24.762 0.543 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 18.321 -25.139 19.072 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 18.588 -24.302 18.651 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 17.441 -25.326 18.685 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 19.294 -28.373 14.946 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 19.564 -29.221 15.367 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 19.647 -28.441 14.033 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 20.747 -22.997 16.701 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 21.265 -22.790 17.483 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 19.816 -22.848 16.982 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 20.162 -27.193 19.799 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 19.561 -26.501 19.449 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 20.420 -26.856 20.686 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 20.649 -30.659 15.380 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 20.977 -31.472 15.793 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 20.448 -30.931 14.449 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 24.318 -30.704 19.948 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 23.485 -30.213 19.765 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 25.008 -30.054 19.801 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 23.824 -31.518 15.797 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 24.200 -32.147 16.436 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 23.139 -32.040 15.329 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 24.657 -33.381 19.605 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 24.458 -32.423 19.724 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 25.270 -33.584 20.314 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 18.885 -18.188 4.664 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 19.113 -17.357 4.240 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 19.635 -18.785 4.442 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 14.290 -20.038 12.338 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 14.044 -20.187 11.402 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 15.275 -20.089 12.339 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 21.399 -29.960 11.282 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 20.700 -30.538 11.680 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 22.217 -30.222 11.762 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 24.567 -33.062 6.459 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 25.266 -32.486 6.846 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 24.275 -33.625 7.213 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 15.596 -28.855 19.434 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 15.631 -28.938 18.478 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 16.537 -28.967 19.721 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.549 -26.786 14.888 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 20.732 -27.219 15.196 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 22.264 -27.312 15.297 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 14.702 -26.507 23.665 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 15.378 -25.817 23.684 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 14.575 -26.690 22.704 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 20.649 -26.340 22.366 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 21.393 -25.953 22.837 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 20.082 -26.688 23.062 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 16.487 -24.751 21.442 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 17.237 -24.856 20.832 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 15.909 -25.519 21.248 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 10.988 -29.574 23.554 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 10.283 -29.137 24.073 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 11.270 -28.884 22.915 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 17.053 -30.829 24.050 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 17.516 -31.032 24.896 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 16.440 -30.101 24.287 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 14.676 -26.762 20.953 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 14.104 -26.353 20.268 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 14.992 -27.591 20.533 1.00 0.00 WAT1 END