REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 28.631 -20.662 6.552 1.00 42.22 ATOM 2 CB MET 1 27.858 -19.567 8.219 1.00 21.45 ATOM 3 HB1 MET 1 28.195 -20.342 8.893 1.00 37.80 ATOM 4 HB2 MET 1 26.814 -19.740 7.985 1.00 52.23 ATOM 5 CG MET 1 27.983 -18.231 8.933 1.00 24.35 ATOM 6 HG1 MET 1 27.687 -17.443 8.256 1.00 37.80 ATOM 7 HG2 MET 1 29.013 -18.087 9.222 1.00 64.03 ATOM 8 SD MET 1 26.956 -18.135 10.412 1.00 53.22 ATOM 9 CE MET 1 26.827 -16.360 10.619 1.00 33.42 ATOM 10 HE1 MET 1 27.813 -15.940 10.750 1.00 55.24 ATOM 11 HE2 MET 1 26.225 -16.142 11.488 1.00 11.15 ATOM 12 HE3 MET 1 26.365 -15.928 9.743 1.00 72.05 ATOM 13 C MET 1 28.108 -18.706 5.884 1.00 63.41 ATOM 14 O MET 1 26.974 -18.245 6.004 1.00 60.31 ATOM 15 N MET 1 30.080 -19.341 7.206 1.00 63.12 ATOM 16 HT1 MET 1 30.210 -18.324 7.394 1.00 37.80 ATOM 17 HT2 MET 1 30.671 -19.606 6.395 1.00 37.80 ATOM 18 HT3 MET 1 30.418 -19.876 8.036 1.00 37.80 ATOM 19 CA MET 1 28.682 -19.653 6.933 1.00 21.23 ATOM 20 N GLY 2 28.900 -18.420 4.855 1.00 62.32 ATOM 21 HN GLY 2 29.789 -18.825 4.781 1.00 37.80 ATOM 22 CA GLY 2 28.453 -17.530 3.800 1.00 42.50 ATOM 23 HA1 GLY 2 27.397 -17.687 3.613 1.00 37.80 ATOM 24 HA2 GLY 2 28.996 -17.771 2.897 1.00 13.42 ATOM 25 C GLY 2 28.675 -16.069 4.141 1.00 32.45 ATOM 26 O GLY 2 27.925 -15.487 4.926 1.00 51.13 ATOM 27 N HIS 3 29.708 -15.476 3.553 1.00 4.21 ATOM 28 HN HIS 3 30.274 -15.995 2.932 1.00 37.80 ATOM 29 CA HIS 3 30.027 -14.074 3.800 1.00 25.24 ATOM 30 HA HIS 3 30.171 -13.951 4.867 1.00 22.24 ATOM 31 CB HIS 3 31.314 -13.686 3.071 1.00 54.55 ATOM 32 HB1 HIS 3 31.111 -13.499 2.025 1.00 37.80 ATOM 33 HB2 HIS 3 32.017 -14.505 3.146 1.00 63.35 ATOM 34 CG HIS 3 31.980 -12.470 3.638 1.00 64.41 ATOM 35 ND1 HIS 3 31.282 -11.373 4.095 1.00 32.15 ATOM 36 HD1 HIS 3 30.316 -11.262 4.096 1.00 2.14 ATOM 37 CD2 HIS 3 33.290 -12.184 3.822 1.00 64.01 ATOM 38 HD2 HIS 3 34.126 -12.823 3.576 1.00 13.10 ATOM 39 CE1 HIS 3 32.133 -10.464 4.535 1.00 44.32 ATOM 40 HE1 HIS 3 31.871 -9.503 4.952 1.00 12.22 ATOM 41 NE2 HIS 3 33.359 -10.931 4.380 1.00 31.45 ATOM 42 HE2 HIS 3 34.174 -10.501 4.714 1.00 37.80 ATOM 43 C HIS 3 28.882 -13.170 3.355 1.00 45.41 ATOM 44 O HIS 3 28.308 -12.436 4.160 1.00 1.20 ATOM 45 N HIS 4 28.556 -13.227 2.068 1.00 41.44 ATOM 46 HN HIS 4 29.036 -13.850 1.472 1.00 37.80 ATOM 47 CA HIS 4 27.480 -12.412 1.515 1.00 34.11 ATOM 48 HA HIS 4 27.407 -11.494 2.086 1.00 32.11 ATOM 49 CB HIS 4 27.780 -12.050 0.060 1.00 25.24 ATOM 50 HB1 HIS 4 27.005 -11.392 -0.309 1.00 37.80 ATOM 51 HB2 HIS 4 27.792 -12.952 -0.537 1.00 54.15 ATOM 52 CG HIS 4 29.095 -11.357 -0.125 1.00 22.12 ATOM 53 ND1 HIS 4 29.461 -10.234 0.586 1.00 15.34 ATOM 54 HD1 HIS 4 28.916 -9.784 1.265 1.00 53.21 ATOM 55 CD2 HIS 4 30.135 -11.635 -0.946 1.00 31.43 ATOM 56 HD2 HIS 4 30.195 -12.454 -1.649 1.00 13.34 ATOM 57 CE1 HIS 4 30.667 -9.850 0.210 1.00 42.12 ATOM 58 HE1 HIS 4 31.209 -9.000 0.597 1.00 23.53 ATOM 59 NE2 HIS 4 31.099 -10.684 -0.719 1.00 31.22 ATOM 60 HE2 HIS 4 31.923 -10.574 -1.238 1.00 37.80 ATOM 61 C HIS 4 26.144 -13.144 1.604 1.00 70.33 ATOM 62 O HIS 4 25.087 -12.520 1.700 1.00 40.32 ATOM 63 N HIS 5 26.199 -14.472 1.570 1.00 60.01 ATOM 64 HN HIS 5 27.069 -14.926 1.486 1.00 37.80 ATOM 65 CA HIS 5 24.993 -15.289 1.646 1.00 24.42 ATOM 66 HA HIS 5 24.215 -14.773 1.090 1.00 15.10 ATOM 67 CB HIS 5 25.238 -16.658 1.010 1.00 42.34 ATOM 68 HB1 HIS 5 25.721 -17.317 1.721 1.00 37.80 ATOM 69 HB2 HIS 5 25.885 -16.537 0.152 1.00 72.01 ATOM 70 CG HIS 5 23.987 -17.329 0.532 1.00 43.42 ATOM 71 ND1 HIS 5 23.977 -18.583 -0.040 1.00 65.31 ATOM 72 HD1 HIS 5 24.762 -19.150 -0.190 1.00 25.50 ATOM 73 CD2 HIS 5 22.699 -16.913 0.545 1.00 43.30 ATOM 74 HD2 HIS 5 22.335 -15.965 0.905 1.00 44.13 ATOM 75 CE1 HIS 5 22.738 -18.909 -0.360 1.00 32.43 ATOM 76 HE1 HIS 5 22.428 -19.834 -0.824 1.00 74.44 ATOM 77 NE2 HIS 5 21.943 -17.913 -0.015 1.00 13.24 ATOM 78 HE2 HIS 5 20.964 -17.932 -0.055 1.00 37.80 ATOM 79 C HIS 5 24.545 -15.462 3.094 1.00 13.23 ATOM 80 O HIS 5 25.336 -15.839 3.959 1.00 11.45 ATOM 81 N HIS 6 23.271 -15.183 3.351 1.00 14.03 ATOM 82 HN HIS 6 22.681 -14.875 2.628 1.00 37.80 ATOM 83 CA HIS 6 22.717 -15.307 4.695 1.00 72.11 ATOM 84 HA HIS 6 23.526 -15.496 5.394 1.00 44.44 ATOM 85 CB HIS 6 22.017 -14.010 5.103 1.00 73.53 ATOM 86 HB1 HIS 6 21.107 -13.892 4.528 1.00 37.80 ATOM 87 HB2 HIS 6 22.674 -13.179 4.893 1.00 4.03 ATOM 88 CG HIS 6 21.665 -13.951 6.557 1.00 25.34 ATOM 89 ND1 HIS 6 22.547 -14.299 7.559 1.00 32.42 ATOM 90 HD1 HIS 6 23.467 -14.612 7.430 1.00 5.44 ATOM 91 CD2 HIS 6 20.521 -13.580 7.177 1.00 1.15 ATOM 92 HD2 HIS 6 19.612 -13.244 6.697 1.00 52.41 ATOM 93 CE1 HIS 6 21.959 -14.146 8.732 1.00 21.44 ATOM 94 HE1 HIS 6 22.409 -14.343 9.694 1.00 63.54 ATOM 95 NE2 HIS 6 20.729 -13.710 8.529 1.00 62.25 ATOM 96 HE2 HIS 6 20.110 -13.418 9.231 1.00 37.80 ATOM 97 C HIS 6 21.737 -16.474 4.773 1.00 24.31 ATOM 98 O HIS 6 21.190 -16.908 3.759 1.00 62.03 ATOM 99 N HIS 7 21.521 -16.979 5.984 1.00 63.34 ATOM 100 HN HIS 7 22.004 -16.622 6.759 1.00 37.80 ATOM 101 CA HIS 7 20.608 -18.097 6.194 1.00 53.21 ATOM 102 HA HIS 7 20.142 -18.361 5.249 1.00 13.30 ATOM 103 CB HIS 7 21.369 -19.313 6.721 1.00 22.30 ATOM 104 HB1 HIS 7 20.697 -19.951 7.284 1.00 37.80 ATOM 105 HB2 HIS 7 22.164 -18.983 7.376 1.00 24.00 ATOM 106 CG HIS 7 21.977 -20.154 5.641 1.00 43.44 ATOM 107 ND1 HIS 7 21.241 -20.711 4.617 1.00 61.33 ATOM 108 HD1 HIS 7 20.273 -20.620 4.492 1.00 74.03 ATOM 109 CD2 HIS 7 23.260 -20.529 5.427 1.00 2.22 ATOM 110 HD2 HIS 7 24.114 -20.270 6.037 1.00 44.24 ATOM 111 CE1 HIS 7 22.044 -21.395 3.821 1.00 5.43 ATOM 112 HE1 HIS 7 21.745 -21.938 2.937 1.00 34.33 ATOM 113 NE2 HIS 7 23.275 -21.299 4.291 1.00 64.53 ATOM 114 HE2 HIS 7 24.052 -21.783 3.942 1.00 37.80 ATOM 115 C HIS 7 19.498 -17.715 7.169 1.00 72.04 ATOM 116 O HIS 7 19.659 -17.829 8.384 1.00 12.32 ATOM 117 N HIS 8 18.372 -17.261 6.627 1.00 34.14 ATOM 118 HN HIS 8 18.302 -17.177 5.646 1.00 37.80 ATOM 119 CA HIS 8 17.235 -16.862 7.450 1.00 72.33 ATOM 120 HA HIS 8 17.340 -17.318 8.430 1.00 24.24 ATOM 121 CB HIS 8 17.209 -15.343 7.620 1.00 44.05 ATOM 122 HB1 HIS 8 16.921 -14.876 6.687 1.00 37.80 ATOM 123 HB2 HIS 8 18.199 -15.005 7.890 1.00 73.03 ATOM 124 CG HIS 8 16.266 -14.875 8.684 1.00 33.13 ATOM 125 ND1 HIS 8 15.520 -13.720 8.574 1.00 32.54 ATOM 126 HD1 HIS 8 15.529 -13.103 7.813 1.00 63.43 ATOM 127 CD2 HIS 8 15.947 -15.414 9.884 1.00 22.23 ATOM 128 HD2 HIS 8 16.344 -16.329 10.302 1.00 34.30 ATOM 129 CE1 HIS 8 14.785 -13.569 9.662 1.00 52.34 ATOM 130 HE1 HIS 8 14.102 -12.755 9.855 1.00 32.42 ATOM 131 NE2 HIS 8 15.025 -14.583 10.472 1.00 23.42 ATOM 132 HE2 HIS 8 14.684 -14.668 11.387 1.00 37.80 ATOM 133 C HIS 8 15.924 -17.339 6.832 1.00 53.00 ATOM 134 O HIS 8 15.482 -16.815 5.809 1.00 35.45 ATOM 135 N SER 9 15.307 -18.336 7.459 1.00 5.33 ATOM 136 HN SER 9 15.707 -18.712 8.280 1.00 37.80 ATOM 137 CA SER 9 14.049 -18.886 6.969 1.00 64.14 ATOM 138 HA SER 9 14.184 -19.162 5.930 1.00 15.02 ATOM 139 CB SER 9 13.672 -20.138 7.763 1.00 14.21 ATOM 140 HB1 SER 9 12.713 -20.510 7.424 1.00 37.80 ATOM 141 HB2 SER 9 13.610 -19.891 8.812 1.00 12.35 ATOM 142 OG SER 9 14.638 -21.160 7.595 1.00 45.05 ATOM 143 HG SER 9 14.489 -21.612 6.760 1.00 52.03 ATOM 144 C SER 9 12.931 -17.853 7.063 1.00 12.02 ATOM 145 O SER 9 13.012 -16.903 7.843 1.00 74.02 ATOM 146 N HIS 10 11.887 -18.046 6.263 1.00 13.44 ATOM 147 HN HIS 10 11.879 -18.829 5.661 1.00 37.80 ATOM 148 CA HIS 10 10.750 -17.131 6.256 1.00 22.33 ATOM 149 HA HIS 10 11.119 -16.134 6.050 1.00 15.22 ATOM 150 CB HIS 10 9.758 -17.526 5.163 1.00 74.54 ATOM 151 HB1 HIS 10 8.899 -16.869 5.203 1.00 37.80 ATOM 152 HB2 HIS 10 9.435 -18.543 5.328 1.00 22.45 ATOM 153 CG HIS 10 10.327 -17.447 3.780 1.00 41.23 ATOM 154 ND1 HIS 10 9.632 -17.839 2.656 1.00 74.35 ATOM 155 HD1 HIS 10 8.721 -18.200 2.643 1.00 35.42 ATOM 156 CD2 HIS 10 11.533 -17.015 3.342 1.00 1.14 ATOM 157 HD2 HIS 10 12.337 -16.632 3.954 1.00 1.01 ATOM 158 CE1 HIS 10 10.386 -17.654 1.587 1.00 53.22 ATOM 159 HE1 HIS 10 10.102 -17.873 0.568 1.00 44.30 ATOM 160 NE2 HIS 10 11.545 -17.154 1.976 1.00 14.13 ATOM 161 HE2 HIS 10 12.323 -17.014 1.396 1.00 37.80 ATOM 162 C HIS 10 10.053 -17.121 7.613 1.00 33.23 ATOM 163 O HIS 10 9.722 -16.061 8.144 1.00 73.24 ATOM 164 N MET 11 9.832 -18.308 8.169 1.00 61.23 ATOM 165 HN MET 11 10.097 -19.129 7.691 1.00 37.80 ATOM 166 CA MET 11 9.174 -18.435 9.464 1.00 62.00 ATOM 167 HA MET 11 9.229 -17.480 9.979 1.00 1.41 ATOM 168 CB MET 11 7.699 -18.797 9.278 1.00 43.43 ATOM 169 HB1 MET 11 7.626 -19.788 8.849 1.00 37.80 ATOM 170 HB2 MET 11 7.266 -18.086 8.586 1.00 12.12 ATOM 171 CG MET 11 6.900 -18.773 10.570 1.00 12.52 ATOM 172 HG1 MET 11 7.185 -17.899 11.143 1.00 37.80 ATOM 173 HG2 MET 11 7.134 -19.662 11.136 1.00 24.21 ATOM 174 SD MET 11 5.120 -18.725 10.285 1.00 10.22 ATOM 175 CE MET 11 4.576 -17.773 11.702 1.00 74.24 ATOM 176 HE1 MET 11 5.043 -16.799 11.682 1.00 14.23 ATOM 177 HE2 MET 11 4.855 -18.288 12.610 1.00 22.04 ATOM 178 HE3 MET 11 3.503 -17.658 11.668 1.00 12.31 ATOM 179 C MET 11 9.864 -19.490 10.323 1.00 32.10 ATOM 180 O MET 11 9.824 -20.680 10.012 1.00 44.31 ATOM 181 N ASN 12 10.495 -19.046 11.405 1.00 43.22 ATOM 182 HN ASN 12 10.481 -18.082 11.615 1.00 37.80 ATOM 183 CA ASN 12 11.194 -19.952 12.308 1.00 25.51 ATOM 184 HA ASN 12 11.585 -20.780 11.721 1.00 24.32 ATOM 185 CB ASN 12 12.372 -19.236 12.972 1.00 22.33 ATOM 186 HB1 ASN 12 12.005 -18.511 13.685 1.00 37.80 ATOM 187 HB2 ASN 12 12.941 -18.722 12.211 1.00 5.15 ATOM 188 CG ASN 12 13.301 -20.195 13.691 1.00 22.51 ATOM 189 OD1 ASN 12 12.943 -21.343 13.955 1.00 21.33 ATOM 190 ND2 ASN 12 14.502 -19.728 14.012 1.00 50.55 ATOM 191 HD21 ASN 12 14.735 -18.801 13.776 1.00 44.44 ATOM 192 HD22 ASN 12 15.117 -20.333 14.477 1.00 12.42 ATOM 193 C ASN 12 10.248 -20.495 13.375 1.00 72.05 ATOM 194 O ASN 12 9.767 -19.751 14.229 1.00 0.20 ATOM 195 N SER 13 9.985 -21.797 13.318 1.00 3.20 ATOM 196 HN SER 13 10.406 -22.345 12.613 1.00 37.80 ATOM 197 CA SER 13 9.094 -22.439 14.277 1.00 72.13 ATOM 198 HA SER 13 8.158 -21.898 14.282 1.00 22.44 ATOM 199 CB SER 13 8.818 -23.885 13.859 1.00 2.04 ATOM 200 HB1 SER 13 8.535 -24.476 14.723 1.00 37.80 ATOM 201 HB2 SER 13 9.705 -24.311 13.414 1.00 1.11 ATOM 202 OG SER 13 7.763 -23.951 12.916 1.00 60.12 ATOM 203 HG SER 13 7.726 -24.833 12.538 1.00 12.33 ATOM 204 C SER 13 9.692 -22.408 15.680 1.00 52.01 ATOM 205 O SER 13 8.971 -22.297 16.671 1.00 2.32 ATOM 206 N ALA 14 11.015 -22.507 15.755 1.00 70.43 ATOM 207 HN ALA 14 11.541 -22.607 14.928 1.00 37.80 ATOM 208 CA ALA 14 11.711 -22.489 17.035 1.00 3.31 ATOM 209 HA ALA 14 11.319 -23.284 17.644 1.00 52.43 ATOM 210 CB ALA 14 13.199 -22.736 16.831 1.00 54.33 ATOM 211 HB1 ALA 14 13.769 -21.838 17.035 1.00 64.32 ATOM 212 HB2 ALA 14 13.390 -23.044 15.812 1.00 21.51 ATOM 213 HB3 ALA 14 13.527 -23.517 17.490 1.00 34.24 ATOM 214 C ALA 14 11.488 -21.167 17.763 1.00 75.35 ATOM 215 O ALA 14 11.332 -21.139 18.983 1.00 61.32 ATOM 216 N GLU 15 11.473 -20.075 17.005 1.00 43.01 ATOM 217 HN GLU 15 11.616 -20.154 16.032 1.00 37.80 ATOM 218 CA GLU 15 11.270 -18.750 17.580 1.00 61.35 ATOM 219 HA GLU 15 12.048 -18.580 18.315 1.00 63.34 ATOM 220 CB GLU 15 11.358 -17.679 16.491 1.00 40.23 ATOM 221 HB1 GLU 15 10.745 -16.835 16.786 1.00 37.80 ATOM 222 HB2 GLU 15 10.970 -18.080 15.567 1.00 72.40 ATOM 223 CG GLU 15 12.772 -17.184 16.237 1.00 51.14 ATOM 224 HG1 GLU 15 13.273 -17.874 15.575 1.00 37.80 ATOM 225 HG2 GLU 15 13.301 -17.132 17.178 1.00 33.32 ATOM 226 CD GLU 15 12.803 -15.801 15.615 1.00 21.02 ATOM 227 OE1 GLU 15 11.789 -15.080 15.720 1.00 4.45 ATOM 228 OE2 GLU 15 13.842 -15.440 15.024 1.00 63.44 ATOM 229 C GLU 15 9.920 -18.665 18.285 1.00 53.50 ATOM 230 O GLU 15 9.850 -18.383 19.481 1.00 62.11 ATOM 231 N GLN 16 8.850 -18.909 17.535 1.00 42.34 ATOM 232 HN GLN 16 8.972 -19.125 16.579 1.00 37.80 ATOM 233 CA GLN 16 7.502 -18.858 18.088 1.00 51.25 ATOM 234 HA GLN 16 7.321 -17.851 18.439 1.00 24.32 ATOM 235 CB GLN 16 6.472 -19.196 17.008 1.00 42.40 ATOM 236 HB1 GLN 16 6.576 -18.488 16.198 1.00 37.80 ATOM 237 HB2 GLN 16 5.479 -19.100 17.430 1.00 13.04 ATOM 238 CG GLN 16 6.626 -20.596 16.437 1.00 30.25 ATOM 239 HG1 GLN 16 6.694 -21.315 17.239 1.00 37.80 ATOM 240 HG2 GLN 16 7.530 -20.619 15.856 1.00 15.31 ATOM 241 CD GLN 16 5.475 -20.987 15.532 1.00 70.04 ATOM 242 OE1 GLN 16 4.983 -20.174 14.748 1.00 32.42 ATOM 243 NE2 GLN 16 5.039 -22.237 15.634 1.00 70.13 ATOM 244 HE21 GLN 16 5.469 -22.845 16.276 1.00 44.42 ATOM 245 HE22 GLN 16 4.295 -22.508 15.057 1.00 72.41 ATOM 246 C GLN 16 7.359 -19.820 19.262 1.00 13.33 ATOM 247 O GLN 16 6.524 -19.619 20.145 1.00 1.04 ATOM 248 N THR 17 8.178 -20.867 19.267 1.00 2.52 ATOM 249 HN THR 17 8.795 -21.015 18.517 1.00 37.80 ATOM 250 CA THR 17 8.142 -21.861 20.332 1.00 10.43 ATOM 251 HA THR 17 7.111 -22.157 20.488 1.00 41.32 ATOM 252 CB THR 17 8.947 -23.119 19.954 1.00 13.54 ATOM 253 HB THR 17 9.958 -22.835 19.757 1.00 22.15 ATOM 254 OG1 THR 17 8.398 -23.715 18.774 1.00 34.11 ATOM 255 HG1 THR 17 7.475 -23.968 18.911 1.00 33.24 ATOM 256 CG2 THR 17 8.937 -24.129 21.091 1.00 33.23 ATOM 257 HG21 THR 17 9.256 -25.077 20.703 1.00 22.51 ATOM 258 HG22 THR 17 7.939 -24.227 21.498 1.00 20.05 ATOM 259 HG23 THR 17 9.618 -23.815 21.868 1.00 62.31 ATOM 260 C THR 17 8.693 -21.291 21.635 1.00 74.32 ATOM 261 O THR 17 8.094 -21.456 22.698 1.00 40.51 ATOM 262 N VAL 18 9.837 -20.620 21.545 1.00 34.31 ATOM 263 HN VAL 18 10.253 -20.503 20.661 1.00 37.80 ATOM 264 CA VAL 18 10.467 -20.025 22.717 1.00 43.51 ATOM 265 HA VAL 18 10.741 -20.825 23.394 1.00 25.24 ATOM 266 CB VAL 18 11.744 -19.252 22.335 1.00 22.43 ATOM 267 HB VAL 18 11.476 -18.464 21.644 1.00 52.15 ATOM 268 CG1 VAL 18 12.369 -18.612 23.566 1.00 62.54 ATOM 269 HG11 VAL 18 13.338 -18.201 23.310 1.00 14.30 ATOM 270 HG12 VAL 18 12.493 -19.353 24.344 1.00 1.22 ATOM 271 HG13 VAL 18 11.738 -17.814 23.927 1.00 72.12 ATOM 272 CG2 VAL 18 12.736 -20.174 21.641 1.00 1.43 ATOM 273 HG21 VAL 18 13.233 -20.780 22.384 1.00 60.10 ATOM 274 HG22 VAL 18 13.471 -19.578 21.122 1.00 61.01 ATOM 275 HG23 VAL 18 12.247 -20.812 20.940 1.00 35.30 ATOM 276 C VAL 18 9.511 -19.080 23.435 1.00 14.51 ATOM 277 O VAL 18 9.299 -19.191 24.643 1.00 22.32 ATOM 278 N THR 19 8.933 -18.147 22.684 1.00 73.43 ATOM 279 HN THR 19 9.138 -18.109 21.719 1.00 37.80 ATOM 280 CA THR 19 7.998 -17.182 23.248 1.00 44.30 ATOM 281 HA THR 19 8.470 -16.709 24.101 1.00 2.31 ATOM 282 CB THR 19 7.643 -16.083 22.229 1.00 54.30 ATOM 283 HB THR 19 7.192 -16.545 21.361 1.00 42.44 ATOM 284 OG1 THR 19 8.828 -15.389 21.823 1.00 54.02 ATOM 285 HG1 THR 19 9.289 -15.901 21.154 1.00 73.34 ATOM 286 CG2 THR 19 6.649 -15.095 22.823 1.00 61.44 ATOM 287 HG21 THR 19 6.961 -14.806 23.819 1.00 41.02 ATOM 288 HG22 THR 19 5.667 -15.543 22.866 1.00 74.55 ATOM 289 HG23 THR 19 6.609 -14.216 22.197 1.00 35.14 ATOM 290 C THR 19 6.716 -17.863 23.712 1.00 61.35 ATOM 291 O THR 19 6.059 -17.401 24.644 1.00 33.10 ATOM 292 N TRP 20 6.367 -18.964 23.056 1.00 53.03 ATOM 293 HN TRP 20 6.918 -19.281 22.305 1.00 37.80 ATOM 294 CA TRP 20 5.162 -19.710 23.402 1.00 1.11 ATOM 295 HA TRP 20 4.321 -19.030 23.366 1.00 52.21 ATOM 296 CB TRP 20 4.925 -20.833 22.391 1.00 33.14 ATOM 297 HB1 TRP 20 5.807 -21.442 22.315 1.00 37.80 ATOM 298 HB2 TRP 20 4.708 -20.397 21.430 1.00 13.22 ATOM 299 CG TRP 20 3.770 -21.719 22.749 1.00 71.35 ATOM 300 CD1 TRP 20 2.503 -21.324 23.072 1.00 23.43 ATOM 301 HD1 TRP 20 2.177 -20.295 23.109 1.00 40.01 ATOM 302 CD2 TRP 20 3.777 -23.149 22.820 1.00 60.22 ATOM 303 NE1 TRP 20 1.723 -22.423 23.341 1.00 55.24 ATOM 304 HE1 TRP 20 0.778 -22.399 23.602 1.00 21.24 ATOM 305 CE2 TRP 20 2.480 -23.554 23.192 1.00 61.22 ATOM 306 CE3 TRP 20 4.752 -24.127 22.604 1.00 52.14 ATOM 307 HE3 TRP 20 5.758 -23.859 22.317 1.00 0.53 ATOM 308 CZ2 TRP 20 2.137 -24.894 23.353 1.00 55.23 ATOM 309 HZ2 TRP 20 1.141 -25.198 23.638 1.00 32.14 ATOM 310 CZ3 TRP 20 4.409 -25.456 22.764 1.00 42.10 ATOM 311 HZ3 TRP 20 5.144 -26.223 22.607 1.00 55.43 ATOM 312 CH2 TRP 20 3.111 -25.830 23.135 1.00 53.23 ATOM 313 HH2 TRP 20 2.897 -26.866 23.241 1.00 71.44 ATOM 314 C TRP 20 5.266 -20.289 24.809 1.00 51.31 ATOM 315 O TRP 20 4.295 -20.282 25.567 1.00 71.53 ATOM 316 N LEU 21 6.448 -20.788 25.153 1.00 71.24 ATOM 317 HN LEU 21 7.191 -20.772 24.504 1.00 37.80 ATOM 318 CA LEU 21 6.678 -21.371 26.470 1.00 64.01 ATOM 319 HA LEU 21 5.857 -22.035 26.699 1.00 22.41 ATOM 320 CB LEU 21 7.984 -22.169 26.475 1.00 14.42 ATOM 321 HB1 LEU 21 8.162 -22.521 27.484 1.00 37.80 ATOM 322 HB2 LEU 21 8.787 -21.496 26.202 1.00 63.15 ATOM 323 CG LEU 21 8.035 -23.378 25.541 1.00 33.33 ATOM 324 HG LEU 21 7.886 -23.047 24.526 1.00 4.31 ATOM 325 CD1 LEU 21 9.394 -24.056 25.619 1.00 10.05 ATOM 326 HD11 LEU 21 10.167 -23.351 25.347 1.00 62.42 ATOM 327 HD12 LEU 21 9.422 -24.894 24.935 1.00 25.30 ATOM 328 HD13 LEU 21 9.569 -24.409 26.626 1.00 75.41 ATOM 329 CD2 LEU 21 6.926 -24.363 25.882 1.00 14.35 ATOM 330 HD21 LEU 21 5.964 -23.903 25.715 1.00 53.54 ATOM 331 HD22 LEU 21 7.007 -24.663 26.917 1.00 74.23 ATOM 332 HD23 LEU 21 7.013 -25.237 25.250 1.00 62.51 ATOM 333 C LEU 21 6.726 -20.289 27.544 1.00 43.55 ATOM 334 O LEU 21 6.380 -20.532 28.700 1.00 42.11 ATOM 335 N ILE 22 7.155 -19.093 27.152 1.00 21.35 ATOM 336 HN ILE 22 7.429 -18.951 26.217 1.00 37.80 ATOM 337 CA ILE 22 7.245 -17.973 28.081 1.00 73.13 ATOM 338 HA ILE 22 7.651 -18.333 29.013 1.00 15.44 ATOM 339 CB ILE 22 8.172 -16.868 27.541 1.00 12.25 ATOM 340 HB ILE 22 7.753 -16.499 26.613 1.00 14.34 ATOM 341 CG1 ILE 22 9.570 -17.430 27.275 1.00 12.51 ATOM 342 HG11 ILE 22 9.499 -18.392 26.799 1.00 37.80 ATOM 343 HG12 ILE 22 10.097 -17.549 28.212 1.00 21.44 ATOM 344 CG2 ILE 22 8.239 -15.708 28.523 1.00 4.52 ATOM 345 HG21 ILE 22 8.905 -14.954 28.144 1.00 33.44 ATOM 346 HG22 ILE 22 8.604 -16.057 29.478 1.00 31.32 ATOM 347 HG23 ILE 22 7.261 -15.270 28.652 1.00 40.44 ATOM 348 CD1 ILE 22 10.417 -16.546 26.386 1.00 74.33 ATOM 349 HD11 ILE 22 10.277 -16.846 25.358 1.00 3.54 ATOM 350 HD12 ILE 22 11.451 -16.663 26.646 1.00 43.01 ATOM 351 HD13 ILE 22 10.131 -15.514 26.491 1.00 20.13 ATOM 352 C ILE 22 5.869 -17.377 28.357 1.00 14.21 ATOM 353 O ILE 22 5.469 -17.215 29.511 1.00 64.31 ATOM 354 N THR 23 5.145 -17.052 27.290 1.00 20.30 ATOM 355 HN THR 23 5.518 -17.204 26.390 1.00 37.80 ATOM 356 CA THR 23 3.813 -16.475 27.417 1.00 40.43 ATOM 357 HA THR 23 3.905 -15.523 27.922 1.00 22.51 ATOM 358 CB THR 23 3.175 -16.227 26.037 1.00 13.40 ATOM 359 HB THR 23 3.863 -15.647 25.438 1.00 73.44 ATOM 360 OG1 THR 23 1.952 -15.496 26.187 1.00 43.01 ATOM 361 HG1 THR 23 2.146 -14.562 26.296 1.00 13.52 ATOM 362 CG2 THR 23 2.901 -17.542 25.323 1.00 10.21 ATOM 363 HG21 THR 23 2.565 -17.335 24.318 1.00 30.21 ATOM 364 HG22 THR 23 2.138 -18.102 25.842 1.00 12.44 ATOM 365 HG23 THR 23 3.802 -18.110 25.280 1.00 42.13 ATOM 366 C THR 23 2.897 -17.379 28.233 1.00 72.22 ATOM 367 O THR 23 1.980 -16.907 28.906 1.00 52.30 ATOM 368 N LEU 24 3.150 -18.682 28.170 1.00 41.34 ATOM 369 HN LEU 24 3.874 -19.013 27.591 1.00 37.80 ATOM 370 CA LEU 24 2.348 -19.654 28.904 1.00 13.31 ATOM 371 HA LEU 24 1.301 -19.428 28.736 1.00 22.44 ATOM 372 CB LEU 24 2.640 -21.069 28.402 1.00 12.13 ATOM 373 HB1 LEU 24 2.467 -21.774 29.211 1.00 37.80 ATOM 374 HB2 LEU 24 3.694 -21.116 28.150 1.00 22.11 ATOM 375 CG LEU 24 1.830 -21.532 27.191 1.00 41.13 ATOM 376 HG LEU 24 1.741 -20.717 26.486 1.00 72.12 ATOM 377 CD1 LEU 24 2.535 -22.680 26.485 1.00 51.23 ATOM 378 HD11 LEU 24 1.831 -23.458 26.216 1.00 14.03 ATOM 379 HD12 LEU 24 3.294 -23.094 27.127 1.00 53.23 ATOM 380 HD13 LEU 24 3.003 -22.309 25.591 1.00 73.42 ATOM 381 CD2 LEU 24 0.427 -21.944 27.613 1.00 42.35 ATOM 382 HD21 LEU 24 -0.140 -22.246 26.743 1.00 23.15 ATOM 383 HD22 LEU 24 -0.069 -21.108 28.087 1.00 34.55 ATOM 384 HD23 LEU 24 0.482 -22.770 28.309 1.00 24.10 ATOM 385 C LEU 24 2.623 -19.566 30.402 1.00 73.11 ATOM 386 O LEU 24 1.775 -19.918 31.221 1.00 72.53 ATOM 387 N GLY 25 3.814 -19.091 30.753 1.00 20.31 ATOM 388 HN GLY 25 4.474 -18.852 30.076 1.00 37.80 ATOM 389 CA GLY 25 4.179 -18.964 32.152 1.00 52.31 ATOM 390 HA1 GLY 25 3.309 -18.692 32.739 1.00 37.80 ATOM 391 HA2 GLY 25 4.913 -18.177 32.243 1.00 34.11 ATOM 392 C GLY 25 4.771 -20.240 32.715 1.00 24.14 ATOM 393 O GLY 25 4.504 -20.605 33.860 1.00 34.12 ATOM 394 N VAL 26 5.578 -20.922 31.909 1.00 64.40 ATOM 395 HN VAL 26 5.759 -20.579 31.009 1.00 37.80 ATOM 396 CA VAL 26 6.210 -22.166 32.333 1.00 2.03 ATOM 397 HA VAL 26 5.980 -22.353 33.377 1.00 50.21 ATOM 398 CB VAL 26 5.703 -23.363 31.508 1.00 61.33 ATOM 399 HB VAL 26 6.338 -24.220 31.700 1.00 45.11 ATOM 400 CG1 VAL 26 4.289 -23.738 31.923 1.00 13.14 ATOM 401 HG11 VAL 26 4.278 -23.999 32.972 1.00 50.34 ATOM 402 HG12 VAL 26 3.951 -24.583 31.343 1.00 50.42 ATOM 403 HG13 VAL 26 3.628 -22.899 31.756 1.00 44.03 ATOM 404 CG2 VAL 26 5.765 -23.049 30.021 1.00 41.04 ATOM 405 HG21 VAL 26 5.457 -23.922 29.463 1.00 64.02 ATOM 406 HG22 VAL 26 6.769 -22.791 29.732 1.00 41.41 ATOM 407 HG23 VAL 26 5.097 -22.234 29.790 1.00 40.41 ATOM 408 C VAL 26 7.727 -22.082 32.208 1.00 63.31 ATOM 409 O VAL 26 8.461 -22.639 33.026 1.00 14.44 ATOM 410 N LEU 27 8.192 -21.383 31.178 1.00 25.35 ATOM 411 HN LEU 27 7.579 -20.969 30.538 1.00 37.80 ATOM 412 CA LEU 27 9.624 -21.225 30.945 1.00 31.52 ATOM 413 HA LEU 27 10.169 -21.754 31.719 1.00 43.31 ATOM 414 CB LEU 27 10.011 -21.834 29.596 1.00 11.02 ATOM 415 HB1 LEU 27 9.351 -21.411 28.852 1.00 37.80 ATOM 416 HB2 LEU 27 9.832 -22.884 29.645 1.00 62.04 ATOM 417 CG LEU 27 11.451 -21.597 29.141 1.00 3.33 ATOM 418 HG LEU 27 11.659 -20.539 29.128 1.00 13.21 ATOM 419 CD1 LEU 27 12.430 -22.254 30.102 1.00 13.02 ATOM 420 HD11 LEU 27 12.268 -23.312 30.111 1.00 52.44 ATOM 421 HD12 LEU 27 12.289 -21.859 31.098 1.00 4.04 ATOM 422 HD13 LEU 27 13.443 -22.050 29.782 1.00 71.30 ATOM 423 CD2 LEU 27 11.657 -22.120 27.727 1.00 0.41 ATOM 424 HD21 LEU 27 12.673 -21.924 27.412 1.00 75.11 ATOM 425 HD22 LEU 27 10.974 -21.622 27.053 1.00 43.40 ATOM 426 HD23 LEU 27 11.473 -23.186 27.701 1.00 65.31 ATOM 427 C LEU 27 10.023 -19.754 30.985 1.00 1.14 ATOM 428 O LEU 27 9.532 -18.946 30.197 1.00 20.54 ATOM 429 N GLU 28 10.918 -19.414 31.907 1.00 4.24 ATOM 430 HN GLU 28 11.277 -20.106 32.513 1.00 37.80 ATOM 431 CA GLU 28 11.384 -18.039 32.049 1.00 62.35 ATOM 432 HA GLU 28 10.536 -17.428 32.328 1.00 15.34 ATOM 433 CB GLU 28 12.442 -17.946 33.150 1.00 63.41 ATOM 434 HB1 GLU 28 12.076 -18.459 34.028 1.00 37.80 ATOM 435 HB2 GLU 28 12.597 -16.904 33.391 1.00 31.24 ATOM 436 CG GLU 28 13.780 -18.554 32.762 1.00 73.31 ATOM 437 HG1 GLU 28 14.158 -18.062 31.879 1.00 37.80 ATOM 438 HG2 GLU 28 13.639 -19.603 32.554 1.00 13.13 ATOM 439 CD GLU 28 14.822 -18.416 33.854 1.00 3.03 ATOM 440 OE1 GLU 28 14.987 -19.371 34.642 1.00 45.31 ATOM 441 OE2 GLU 28 15.473 -17.352 33.921 1.00 63.21 ATOM 442 C GLU 28 11.957 -17.521 30.733 1.00 63.35 ATOM 443 O GLU 28 12.409 -18.298 29.891 1.00 34.21 ATOM 444 N SER 29 11.935 -16.203 30.562 1.00 30.22 ATOM 445 HN SER 29 11.579 -15.631 31.283 1.00 37.80 ATOM 446 CA SER 29 12.448 -15.581 29.347 1.00 11.44 ATOM 447 HA SER 29 12.138 -16.192 28.516 1.00 22.10 ATOM 448 CB SER 29 11.863 -14.177 29.182 1.00 11.45 ATOM 449 HB1 SER 29 12.654 -13.440 29.113 1.00 37.80 ATOM 450 HB2 SER 29 11.235 -13.934 30.027 1.00 41.31 ATOM 451 OG SER 29 11.074 -14.088 28.009 1.00 40.43 ATOM 452 HG SER 29 10.782 -13.182 27.887 1.00 63.44 ATOM 453 C SER 29 13.972 -15.509 29.375 1.00 14.15 ATOM 454 O SER 29 14.604 -15.599 30.428 1.00 14.32 ATOM 455 N PRO 30 14.577 -15.343 28.190 1.00 22.02 ATOM 456 CA PRO 30 16.034 -15.255 28.051 1.00 52.11 ATOM 457 HA PRO 30 16.528 -16.098 28.513 1.00 21.24 ATOM 458 CB PRO 30 16.249 -15.301 26.536 1.00 33.41 ATOM 459 HB1 PRO 30 16.412 -16.322 26.258 1.00 37.80 ATOM 460 HB2 PRO 30 17.101 -14.699 26.241 1.00 22.55 ATOM 461 CG PRO 30 14.976 -14.787 25.957 1.00 61.31 ATOM 462 HG1 PRO 30 14.816 -15.205 24.978 1.00 37.80 ATOM 463 HG2 PRO 30 15.008 -13.709 25.903 1.00 72.12 ATOM 464 CD PRO 30 13.886 -15.228 26.895 1.00 65.22 ATOM 465 HD1 PRO 30 13.490 -16.181 26.583 1.00 37.80 ATOM 466 HD2 PRO 30 13.116 -14.486 26.918 1.00 72.54 ATOM 467 C PRO 30 16.594 -13.960 28.629 1.00 41.22 ATOM 468 O PRO 30 15.851 -13.017 28.903 1.00 70.20 ATOM 469 N LYS 31 17.910 -13.919 28.812 1.00 75.33 ATOM 470 HN LYS 31 18.453 -14.703 28.558 1.00 37.80 ATOM 471 CA LYS 31 18.571 -12.739 29.355 1.00 30.25 ATOM 472 HA LYS 31 18.000 -12.400 30.213 1.00 14.24 ATOM 473 CB LYS 31 19.996 -13.084 29.793 1.00 22.22 ATOM 474 HB1 LYS 31 20.709 -12.504 29.219 1.00 37.80 ATOM 475 HB2 LYS 31 20.192 -14.133 29.608 1.00 51.32 ATOM 476 CG LYS 31 20.264 -12.811 31.263 1.00 31.52 ATOM 477 HG1 LYS 31 20.001 -11.783 31.477 1.00 37.80 ATOM 478 HG2 LYS 31 21.319 -12.948 31.453 1.00 2.33 ATOM 479 CD LYS 31 19.439 -13.721 32.158 1.00 14.43 ATOM 480 HD1 LYS 31 18.624 -14.170 31.604 1.00 37.80 ATOM 481 HD2 LYS 31 19.031 -13.125 32.961 1.00 30.14 ATOM 482 CE LYS 31 20.287 -14.831 32.759 1.00 1.22 ATOM 483 HE1 LYS 31 21.308 -14.492 32.884 1.00 37.80 ATOM 484 HE2 LYS 31 20.273 -15.677 32.090 1.00 20.24 ATOM 485 NZ LYS 31 19.773 -15.264 34.088 1.00 23.21 ATOM 486 HZ1 LYS 31 19.778 -14.465 34.756 1.00 51.44 ATOM 487 HZ2 LYS 31 20.374 -16.021 34.471 1.00 30.14 ATOM 488 HZ3 LYS 31 18.800 -15.624 34.000 1.00 44.44 ATOM 489 C LYS 31 18.602 -11.611 28.329 1.00 61.41 ATOM 490 O LYS 31 18.621 -10.433 28.686 1.00 63.22 ATOM 491 N LYS 32 18.606 -11.980 27.052 1.00 14.53 ATOM 492 HN LYS 32 18.627 -12.936 26.817 1.00 37.80 ATOM 493 CA LYS 32 18.631 -10.999 25.973 1.00 64.50 ATOM 494 HA LYS 32 17.998 -10.164 26.249 1.00 71.10 ATOM 495 CB LYS 32 20.057 -10.488 25.755 1.00 1.52 ATOM 496 HB1 LYS 32 20.404 -10.052 26.681 1.00 37.80 ATOM 497 HB2 LYS 32 20.047 -9.716 24.999 1.00 2.20 ATOM 498 CG LYS 32 21.039 -11.575 25.356 1.00 45.13 ATOM 499 HG1 LYS 32 20.542 -12.349 24.789 1.00 37.80 ATOM 500 HG2 LYS 32 21.448 -12.006 26.259 1.00 52.15 ATOM 501 CD LYS 32 22.176 -11.018 24.515 1.00 60.02 ATOM 502 HD1 LYS 32 22.545 -10.104 24.965 1.00 37.80 ATOM 503 HD2 LYS 32 21.807 -10.808 23.523 1.00 72.40 ATOM 504 CE LYS 32 23.328 -12.006 24.411 1.00 42.41 ATOM 505 HE1 LYS 32 23.615 -12.327 25.404 1.00 37.80 ATOM 506 HE2 LYS 32 24.165 -11.510 23.941 1.00 54.12 ATOM 507 NZ LYS 32 22.963 -13.200 23.600 1.00 22.45 ATOM 508 HZ1 LYS 32 22.175 -13.715 24.045 1.00 1.31 ATOM 509 HZ2 LYS 32 23.778 -13.841 23.527 1.00 14.44 ATOM 510 HZ3 LYS 32 22.679 -12.913 22.640 1.00 60.53 ATOM 511 C LYS 32 18.093 -11.601 24.679 1.00 71.02 ATOM 512 O LYS 32 17.610 -12.734 24.662 1.00 42.12 ATOM 513 N THR 33 18.180 -10.836 23.595 1.00 73.32 ATOM 514 HN THR 33 18.540 -9.924 23.667 1.00 37.80 ATOM 515 CA THR 33 17.702 -11.294 22.296 1.00 14.23 ATOM 516 HA THR 33 16.640 -11.497 22.390 1.00 31.01 ATOM 517 CB THR 33 17.895 -10.215 21.214 1.00 14.54 ATOM 518 HB THR 33 18.954 -10.104 21.009 1.00 13.03 ATOM 519 OG1 THR 33 17.381 -8.960 21.677 1.00 63.24 ATOM 520 HG1 THR 33 18.086 -8.450 22.085 1.00 24.32 ATOM 521 CG2 THR 33 17.193 -10.611 19.924 1.00 44.42 ATOM 522 HG21 THR 33 16.153 -10.828 20.124 1.00 14.41 ATOM 523 HG22 THR 33 17.669 -11.483 19.500 1.00 50.41 ATOM 524 HG23 THR 33 17.256 -9.794 19.220 1.00 75.41 ATOM 525 C THR 33 18.421 -12.566 21.863 1.00 73.12 ATOM 526 O THR 33 19.625 -12.713 22.076 1.00 35.12 ATOM 527 N ILE 34 17.676 -13.482 21.253 1.00 23.30 ATOM 528 HN ILE 34 16.717 -13.316 21.107 1.00 37.80 ATOM 529 CA ILE 34 18.244 -14.742 20.788 1.00 45.50 ATOM 530 HA ILE 34 19.300 -14.769 21.044 1.00 60.22 ATOM 531 CB ILE 34 17.571 -15.948 21.468 1.00 23.22 ATOM 532 HB ILE 34 16.522 -15.948 21.202 1.00 34.52 ATOM 533 CG1 ILE 34 17.700 -15.841 22.989 1.00 34.11 ATOM 534 HG11 ILE 34 17.332 -14.878 23.318 1.00 37.80 ATOM 535 HG12 ILE 34 18.739 -15.935 23.271 1.00 33.55 ATOM 536 CG2 ILE 34 18.185 -17.248 20.970 1.00 43.24 ATOM 537 HG21 ILE 34 19.242 -17.260 21.196 1.00 24.43 ATOM 538 HG22 ILE 34 18.048 -17.341 19.904 1.00 5.54 ATOM 539 HG23 ILE 34 17.713 -18.091 21.444 1.00 51.32 ATOM 540 CD1 ILE 34 16.919 -16.899 23.737 1.00 15.54 ATOM 541 HD11 ILE 34 15.899 -16.575 23.854 1.00 31.25 ATOM 542 HD12 ILE 34 17.365 -17.041 24.704 1.00 33.11 ATOM 543 HD13 ILE 34 16.933 -17.840 23.215 1.00 14.12 ATOM 544 C ILE 34 18.106 -14.882 19.276 1.00 52.01 ATOM 545 O ILE 34 17.002 -14.823 18.735 1.00 15.43 ATOM 546 N SER 35 19.234 -15.070 18.599 1.00 71.33 ATOM 547 HN SER 35 20.092 -15.120 19.085 1.00 37.80 ATOM 548 CA SER 35 19.239 -15.218 17.148 1.00 41.41 ATOM 549 HA SER 35 18.358 -14.736 16.740 1.00 62.24 ATOM 550 CB SER 35 20.474 -14.542 16.550 1.00 43.52 ATOM 551 HB1 SER 35 20.280 -13.484 16.450 1.00 37.80 ATOM 552 HB2 SER 35 20.696 -14.954 15.573 1.00 15.20 ATOM 553 OG SER 35 21.605 -14.712 17.387 1.00 13.13 ATOM 554 HG SER 35 22.389 -14.391 16.935 1.00 43.12 ATOM 555 C SER 35 19.209 -16.691 16.751 1.00 4.54 ATOM 556 O SER 35 18.725 -17.046 15.677 1.00 50.23 ATOM 557 N ASP 36 19.731 -17.543 17.627 1.00 51.22 ATOM 558 HN ASP 36 20.122 -17.218 18.466 1.00 37.80 ATOM 559 CA ASP 36 19.764 -18.978 17.370 1.00 10.01 ATOM 560 HA ASP 36 19.344 -19.182 16.393 1.00 71.11 ATOM 561 CB ASP 36 21.208 -19.483 17.364 1.00 35.53 ATOM 562 HB1 ASP 36 21.216 -20.540 17.136 1.00 37.80 ATOM 563 HB2 ASP 36 21.645 -19.327 18.341 1.00 51.25 ATOM 564 CG ASP 36 22.067 -18.770 16.339 1.00 12.34 ATOM 565 OD1 ASP 36 23.185 -18.342 16.696 1.00 14.45 ATOM 566 OD2 ASP 36 21.622 -18.640 15.180 1.00 40.20 ATOM 567 C ASP 36 18.951 -19.736 18.415 1.00 53.22 ATOM 568 O ASP 36 19.494 -20.397 19.300 1.00 72.42 ATOM 569 N PRO 37 17.617 -19.638 18.312 1.00 10.53 ATOM 570 CA PRO 37 16.700 -20.307 19.240 1.00 3.42 ATOM 571 HA PRO 37 16.930 -20.065 20.267 1.00 54.12 ATOM 572 CB PRO 37 15.334 -19.725 18.870 1.00 74.33 ATOM 573 HB1 PRO 37 15.126 -18.876 19.503 1.00 37.80 ATOM 574 HB2 PRO 37 14.552 -20.465 18.993 1.00 60.41 ATOM 575 CG PRO 37 15.473 -19.307 17.447 1.00 71.55 ATOM 576 HG1 PRO 37 14.814 -18.495 17.244 1.00 37.80 ATOM 577 HG2 PRO 37 15.259 -20.140 16.794 1.00 3.53 ATOM 578 CD PRO 37 16.901 -18.866 17.282 1.00 20.24 ATOM 579 HD1 PRO 37 16.976 -17.810 17.470 1.00 37.80 ATOM 580 HD2 PRO 37 17.252 -19.106 16.291 1.00 44.20 ATOM 581 C PRO 37 16.700 -21.821 19.064 1.00 24.20 ATOM 582 O PRO 37 16.259 -22.557 19.946 1.00 63.31 ATOM 583 N GLU 38 17.198 -22.279 17.920 1.00 65.42 ATOM 584 HN GLU 38 17.503 -21.651 17.229 1.00 37.80 ATOM 585 CA GLU 38 17.255 -23.707 17.629 1.00 30.23 ATOM 586 HA GLU 38 16.245 -24.079 17.619 1.00 71.40 ATOM 587 CB GLU 38 17.897 -23.947 16.261 1.00 3.04 ATOM 588 HB1 GLU 38 18.144 -25.000 16.169 1.00 37.80 ATOM 589 HB2 GLU 38 18.806 -23.367 16.196 1.00 42.52 ATOM 590 CG GLU 38 17.004 -23.563 15.094 1.00 50.12 ATOM 591 HG1 GLU 38 16.994 -22.487 15.005 1.00 37.80 ATOM 592 HG2 GLU 38 15.999 -23.917 15.283 1.00 64.43 ATOM 593 CD GLU 38 17.476 -24.153 13.779 1.00 3.22 ATOM 594 OE1 GLU 38 16.731 -24.054 12.782 1.00 3.20 ATOM 595 OE2 GLU 38 18.592 -24.714 13.748 1.00 11.41 ATOM 596 C GLU 38 18.037 -24.451 18.708 1.00 71.30 ATOM 597 O GLU 38 17.669 -25.555 19.107 1.00 72.43 ATOM 598 N GLY 39 19.120 -23.837 19.176 1.00 74.41 ATOM 599 HN GLY 39 19.389 -22.961 18.820 1.00 37.80 ATOM 600 CA GLY 39 19.937 -24.456 20.203 1.00 3.31 ATOM 601 HA1 GLY 39 20.948 -24.088 20.103 1.00 37.80 ATOM 602 HA2 GLY 39 19.949 -25.532 20.070 1.00 73.10 ATOM 603 C GLY 39 19.448 -24.139 21.602 1.00 32.13 ATOM 604 O GLY 39 19.413 -25.014 22.468 1.00 13.43 ATOM 605 N PHE 40 19.070 -22.885 21.826 1.00 43.32 ATOM 606 HN PHE 40 19.129 -22.223 21.096 1.00 37.80 ATOM 607 CA PHE 40 18.583 -22.454 23.131 1.00 41.10 ATOM 608 HA PHE 40 19.377 -22.600 23.850 1.00 44.41 ATOM 609 CB PHE 40 18.215 -20.969 23.097 1.00 74.32 ATOM 610 HB1 PHE 40 17.557 -20.792 22.256 1.00 37.80 ATOM 611 HB2 PHE 40 19.119 -20.389 22.958 1.00 75.41 ATOM 612 CG PHE 40 17.529 -20.493 24.346 1.00 45.23 ATOM 613 CD1 PHE 40 18.264 -19.971 25.399 1.00 73.44 ATOM 614 HD1 PHE 40 19.341 -19.906 25.319 1.00 73.01 ATOM 615 CD2 PHE 40 16.151 -20.567 24.467 1.00 41.22 ATOM 616 HD2 PHE 40 15.564 -20.971 23.654 1.00 43.14 ATOM 617 CE1 PHE 40 17.636 -19.532 26.549 1.00 4.31 ATOM 618 HE1 PHE 40 18.220 -19.128 27.363 1.00 20.15 ATOM 619 CE2 PHE 40 15.518 -20.128 25.615 1.00 63.35 ATOM 620 HE2 PHE 40 14.443 -20.191 25.697 1.00 55.21 ATOM 621 CZ PHE 40 16.262 -19.611 26.657 1.00 31.35 ATOM 622 HZ PHE 40 15.770 -19.268 27.555 1.00 13.30 ATOM 623 C PHE 40 17.374 -23.280 23.560 1.00 51.12 ATOM 624 O PHE 40 17.168 -23.529 24.748 1.00 15.04 ATOM 625 N LEU 41 16.577 -23.701 22.584 1.00 20.51 ATOM 626 HN LEU 41 16.777 -23.460 21.650 1.00 37.80 ATOM 627 CA LEU 41 15.387 -24.499 22.859 1.00 61.30 ATOM 628 HA LEU 41 14.853 -24.040 23.681 1.00 41.02 ATOM 629 CB LEU 41 14.478 -24.536 21.629 1.00 64.31 ATOM 630 HB1 LEU 41 13.887 -25.447 21.650 1.00 37.80 ATOM 631 HB2 LEU 41 15.116 -24.578 20.757 1.00 44.14 ATOM 632 CG LEU 41 13.520 -23.356 21.467 1.00 71.01 ATOM 633 HG LEU 41 14.072 -22.449 21.627 1.00 42.15 ATOM 634 CD1 LEU 41 12.951 -23.320 20.057 1.00 34.41 ATOM 635 HD11 LEU 41 13.370 -22.474 19.535 1.00 70.25 ATOM 636 HD12 LEU 41 11.882 -23.219 20.088 1.00 25.53 ATOM 637 HD13 LEU 41 13.198 -24.223 19.520 1.00 34.12 ATOM 638 CD2 LEU 41 12.400 -23.433 22.494 1.00 21.34 ATOM 639 HD21 LEU 41 12.815 -23.378 23.489 1.00 41.40 ATOM 640 HD22 LEU 41 11.865 -24.366 22.380 1.00 41.21 ATOM 641 HD23 LEU 41 11.714 -22.611 22.350 1.00 0.11 ATOM 642 C LEU 41 15.766 -25.919 23.268 1.00 31.02 ATOM 643 O LEU 41 15.251 -26.449 24.253 1.00 45.14 ATOM 644 N GLN 42 16.670 -26.528 22.507 1.00 12.51 ATOM 645 HN GLN 42 17.042 -26.055 21.725 1.00 37.80 ATOM 646 CA GLN 42 17.118 -27.885 22.792 1.00 24.32 ATOM 647 HA GLN 42 16.262 -28.542 22.721 1.00 42.32 ATOM 648 CB GLN 42 18.165 -28.325 21.767 1.00 71.11 ATOM 649 HB1 GLN 42 19.025 -27.670 21.832 1.00 37.80 ATOM 650 HB2 GLN 42 17.733 -28.229 20.780 1.00 32.25 ATOM 651 CG GLN 42 18.618 -29.766 21.940 1.00 40.23 ATOM 652 HG1 GLN 42 18.876 -30.157 20.966 1.00 37.80 ATOM 653 HG2 GLN 42 17.805 -30.354 22.348 1.00 11.21 ATOM 654 CD GLN 42 19.833 -29.892 22.838 1.00 53.11 ATOM 655 OE1 GLN 42 20.853 -29.239 22.617 1.00 40.01 ATOM 656 NE2 GLN 42 19.729 -30.735 23.859 1.00 44.41 ATOM 657 HE21 GLN 42 18.890 -31.232 23.990 1.00 62.25 ATOM 658 HE22 GLN 42 20.504 -30.830 24.451 1.00 65.31 ATOM 659 C GLN 42 17.696 -27.983 24.200 1.00 23.32 ATOM 660 O GLN 42 17.475 -28.967 24.905 1.00 24.51 ATOM 661 N ALA 43 18.438 -26.956 24.603 1.00 34.41 ATOM 662 HN ALA 43 18.592 -26.197 23.992 1.00 37.80 ATOM 663 CA ALA 43 19.046 -26.926 25.927 1.00 32.34 ATOM 664 HA ALA 43 19.607 -27.842 26.066 1.00 33.43 ATOM 665 CB ALA 43 20.021 -25.763 26.034 1.00 31.21 ATOM 666 HB1 ALA 43 20.765 -25.848 25.255 1.00 41.33 ATOM 667 HB2 ALA 43 20.509 -25.784 26.998 1.00 10.33 ATOM 668 HB3 ALA 43 19.488 -24.829 25.920 1.00 31.22 ATOM 669 C ALA 43 17.984 -26.830 27.017 1.00 34.33 ATOM 670 O ALA 43 18.006 -27.587 27.988 1.00 60.34 ATOM 671 N SER 44 17.055 -25.894 26.851 1.00 74.31 ATOM 672 HN SER 44 17.089 -25.319 26.050 1.00 37.80 ATOM 673 CA SER 44 15.986 -25.696 27.823 1.00 21.44 ATOM 674 HA SER 44 16.434 -25.587 28.803 1.00 21.22 ATOM 675 CB SER 44 15.199 -24.426 27.497 1.00 44.43 ATOM 676 HB1 SER 44 14.152 -24.560 27.745 1.00 37.80 ATOM 677 HB2 SER 44 15.282 -24.198 26.444 1.00 11.32 ATOM 678 OG SER 44 15.685 -23.320 28.239 1.00 71.31 ATOM 679 HG SER 44 16.474 -22.969 27.817 1.00 3.33 ATOM 680 C SER 44 15.046 -26.898 27.849 1.00 11.44 ATOM 681 O SER 44 14.399 -27.173 28.861 1.00 63.10 ATOM 682 N LEU 45 14.975 -27.609 26.730 1.00 31.51 ATOM 683 HN LEU 45 15.503 -27.344 25.942 1.00 37.80 ATOM 684 CA LEU 45 14.114 -28.782 26.623 1.00 60.35 ATOM 685 HA LEU 45 13.238 -28.630 27.243 1.00 35.15 ATOM 686 CB LEU 45 13.656 -28.972 25.175 1.00 23.33 ATOM 687 HB1 LEU 45 13.152 -29.927 25.089 1.00 37.80 ATOM 688 HB2 LEU 45 14.549 -29.004 24.564 1.00 73.45 ATOM 689 CG LEU 45 12.733 -27.889 24.616 1.00 63.44 ATOM 690 HG LEU 45 13.090 -26.917 24.920 1.00 34.13 ATOM 691 CD1 LEU 45 12.722 -27.931 23.095 1.00 33.34 ATOM 692 HD11 LEU 45 12.297 -28.862 22.763 1.00 23.12 ATOM 693 HD12 LEU 45 13.733 -27.843 22.719 1.00 42.23 ATOM 694 HD13 LEU 45 12.130 -27.110 22.716 1.00 0.52 ATOM 695 CD2 LEU 45 11.324 -28.053 25.166 1.00 1.33 ATOM 696 HD21 LEU 45 11.350 -28.109 26.246 1.00 34.13 ATOM 697 HD22 LEU 45 10.892 -28.952 24.768 1.00 3.41 ATOM 698 HD23 LEU 45 10.723 -27.206 24.868 1.00 4.33 ATOM 699 C LEU 45 14.837 -30.035 27.108 1.00 52.31 ATOM 700 O LEU 45 14.206 -31.028 27.471 1.00 11.42 ATOM 701 N LYS 46 16.164 -29.981 27.113 1.00 4.45 ATOM 702 HN LYS 46 16.620 -29.178 26.782 1.00 37.80 ATOM 703 CA LYS 46 16.975 -31.109 27.558 1.00 53.55 ATOM 704 HA LYS 46 16.841 -31.909 26.842 1.00 75.53 ATOM 705 CB LYS 46 18.452 -30.713 27.609 1.00 42.24 ATOM 706 HB1 LYS 46 18.677 -30.256 28.566 1.00 37.80 ATOM 707 HB2 LYS 46 18.645 -29.988 26.829 1.00 3.35 ATOM 708 CG LYS 46 19.402 -31.879 27.398 1.00 31.33 ATOM 709 HG1 LYS 46 19.223 -32.303 26.424 1.00 37.80 ATOM 710 HG2 LYS 46 19.198 -32.607 28.157 1.00 13.20 ATOM 711 CD LYS 46 20.854 -31.439 27.488 1.00 74.55 ATOM 712 HD1 LYS 46 20.919 -30.443 27.909 1.00 37.80 ATOM 713 HD2 LYS 46 21.276 -31.434 26.495 1.00 41.43 ATOM 714 CE LYS 46 21.670 -32.384 28.356 1.00 31.22 ATOM 715 HE1 LYS 46 21.637 -33.368 27.914 1.00 37.80 ATOM 716 HE2 LYS 46 21.244 -32.416 29.348 1.00 0.14 ATOM 717 NZ LYS 46 23.094 -31.959 28.452 1.00 14.45 ATOM 718 HZ1 LYS 46 23.161 -31.008 28.871 1.00 15.53 ATOM 719 HZ2 LYS 46 23.532 -31.942 27.508 1.00 34.11 ATOM 720 HZ3 LYS 46 23.623 -32.625 29.051 1.00 24.20 ATOM 721 C LYS 46 16.521 -31.598 28.929 1.00 10.11 ATOM 722 O LYS 46 16.196 -32.772 29.103 1.00 32.53 ATOM 723 N ASP 47 16.500 -30.690 29.899 1.00 62.21 ATOM 724 HN ASP 47 16.811 -29.776 29.698 1.00 37.80 ATOM 725 CA ASP 47 16.084 -31.029 31.255 1.00 75.24 ATOM 726 HA ASP 47 16.823 -31.683 31.676 1.00 14.24 ATOM 727 CB ASP 47 16.006 -29.769 32.117 1.00 14.43 ATOM 728 HB1 ASP 47 17.011 -29.449 32.351 1.00 37.80 ATOM 729 HB2 ASP 47 15.488 -29.980 33.036 1.00 30.11 ATOM 730 CG ASP 47 15.301 -28.627 31.412 1.00 51.35 ATOM 731 OD1 ASP 47 15.998 -27.764 30.838 1.00 11.35 ATOM 732 OD2 ASP 47 14.052 -28.596 31.433 1.00 5.30 ATOM 733 C ASP 47 14.733 -31.739 31.247 1.00 64.33 ATOM 734 O ASP 47 14.561 -32.774 31.889 1.00 62.41 ATOM 735 N GLY 48 13.777 -31.174 30.515 1.00 24.42 ATOM 736 HN GLY 48 13.961 -30.364 29.994 1.00 37.80 ATOM 737 CA GLY 48 12.455 -31.766 30.438 1.00 34.44 ATOM 738 HA1 GLY 48 12.519 -32.842 30.546 1.00 37.80 ATOM 739 HA2 GLY 48 12.040 -31.545 29.466 1.00 63.44 ATOM 740 C GLY 48 11.514 -31.222 31.495 1.00 32.41 ATOM 741 O GLY 48 10.295 -31.358 31.381 1.00 5.21 ATOM 742 N VAL 49 12.079 -30.606 32.528 1.00 24.12 ATOM 743 HN VAL 49 13.038 -30.477 32.543 1.00 37.80 ATOM 744 CA VAL 49 11.283 -30.040 33.610 1.00 31.23 ATOM 745 HA VAL 49 10.777 -30.856 34.111 1.00 21.24 ATOM 746 CB VAL 49 12.169 -29.311 34.638 1.00 62.42 ATOM 747 HB VAL 49 12.595 -28.432 34.170 1.00 43.01 ATOM 748 CG1 VAL 49 11.342 -28.859 35.831 1.00 11.03 ATOM 749 HG11 VAL 49 10.643 -28.097 35.523 1.00 24.14 ATOM 750 HG12 VAL 49 11.993 -28.450 36.593 1.00 4.34 ATOM 751 HG13 VAL 49 10.798 -29.700 36.240 1.00 1.11 ATOM 752 CG2 VAL 49 13.316 -30.207 35.082 1.00 33.11 ATOM 753 HG21 VAL 49 13.953 -30.435 34.253 1.00 62.13 ATOM 754 HG22 VAL 49 12.919 -31.122 35.486 1.00 24.14 ATOM 755 HG23 VAL 49 13.896 -29.703 35.845 1.00 34.21 ATOM 756 C VAL 49 10.240 -29.066 33.074 1.00 71.32 ATOM 757 O VAL 49 9.144 -28.948 33.623 1.00 64.11 ATOM 758 N VAL 50 10.587 -28.370 31.996 1.00 4.11 ATOM 759 HN VAL 50 11.481 -28.491 31.601 1.00 37.80 ATOM 760 CA VAL 50 9.681 -27.407 31.383 1.00 13.42 ATOM 761 HA VAL 50 9.229 -26.812 32.170 1.00 23.42 ATOM 762 CB VAL 50 10.432 -26.455 30.433 1.00 13.44 ATOM 763 HB VAL 50 10.889 -27.041 29.647 1.00 1.14 ATOM 764 CG1 VAL 50 9.467 -25.469 29.792 1.00 73.54 ATOM 765 HG11 VAL 50 10.017 -24.826 29.122 1.00 45.35 ATOM 766 HG12 VAL 50 8.992 -24.870 30.556 1.00 1.41 ATOM 767 HG13 VAL 50 8.713 -25.993 29.225 1.00 44.43 ATOM 768 CG2 VAL 50 11.537 -25.722 31.179 1.00 63.04 ATOM 769 HG21 VAL 50 11.107 -25.023 31.884 1.00 55.10 ATOM 770 HG22 VAL 50 12.144 -25.192 30.470 1.00 42.02 ATOM 771 HG23 VAL 50 12.161 -26.426 31.710 1.00 62.14 ATOM 772 C VAL 50 8.573 -28.111 30.608 1.00 50.21 ATOM 773 O VAL 50 7.420 -27.676 30.617 1.00 25.22 ATOM 774 N LEU 51 8.929 -29.201 29.937 1.00 11.04 ATOM 775 HN LEU 51 9.871 -29.493 29.947 1.00 37.80 ATOM 776 CA LEU 51 7.964 -29.968 29.156 1.00 5.50 ATOM 777 HA LEU 51 7.625 -29.346 28.342 1.00 44.50 ATOM 778 CB LEU 51 8.622 -31.228 28.592 1.00 44.03 ATOM 779 HB1 LEU 51 7.850 -31.858 28.176 1.00 37.80 ATOM 780 HB2 LEU 51 9.079 -31.759 29.409 1.00 12.54 ATOM 781 CG LEU 51 9.678 -31.006 27.508 1.00 60.31 ATOM 782 HG LEU 51 10.467 -30.385 27.906 1.00 61.23 ATOM 783 CD1 LEU 51 10.293 -32.331 27.083 1.00 3.33 ATOM 784 HD11 LEU 51 9.527 -32.975 26.672 1.00 74.31 ATOM 785 HD12 LEU 51 10.744 -32.812 27.940 1.00 44.33 ATOM 786 HD13 LEU 51 11.053 -32.155 26.334 1.00 25.21 ATOM 787 CD2 LEU 51 9.071 -30.290 26.311 1.00 52.14 ATOM 788 HD21 LEU 51 9.740 -30.354 25.468 1.00 50.33 ATOM 789 HD22 LEU 51 8.910 -29.252 26.558 1.00 74.12 ATOM 790 HD23 LEU 51 8.125 -30.747 26.047 1.00 23.23 ATOM 791 C LEU 51 6.755 -30.348 30.005 1.00 43.44 ATOM 792 O LEU 51 5.616 -30.042 29.651 1.00 33.22 ATOM 793 N CYS 52 7.012 -31.013 31.125 1.00 35.13 ATOM 794 HN CYS 52 7.948 -31.233 31.350 1.00 37.80 ATOM 795 CA CYS 52 5.944 -31.434 32.026 1.00 51.22 ATOM 796 HA CYS 52 5.338 -32.162 31.502 1.00 4.24 ATOM 797 CB CYS 52 6.532 -32.063 33.290 1.00 45.44 ATOM 798 HB1 CYS 52 5.924 -31.805 34.150 1.00 37.80 ATOM 799 HB2 CYS 52 7.533 -31.690 33.450 1.00 23.42 ATOM 800 SG CYS 52 6.630 -33.867 33.239 1.00 32.45 ATOM 801 HG CYS 52 7.893 -34.202 33.018 1.00 2.11 ATOM 802 C CYS 52 5.051 -30.255 32.398 1.00 13.13 ATOM 803 O CYS 52 3.829 -30.321 32.260 1.00 2.13 ATOM 804 N ARG 53 5.668 -29.178 32.872 1.00 4.14 ATOM 805 HN ARG 53 6.652 -29.187 32.962 1.00 37.80 ATOM 806 CA ARG 53 4.929 -27.985 33.268 1.00 61.22 ATOM 807 HA ARG 53 4.325 -28.237 34.129 1.00 74.54 ATOM 808 CB ARG 53 5.896 -26.861 33.644 1.00 42.04 ATOM 809 HB1 ARG 53 5.347 -25.932 33.741 1.00 37.80 ATOM 810 HB2 ARG 53 6.622 -26.755 32.849 1.00 62.34 ATOM 811 CG ARG 53 6.635 -27.104 34.950 1.00 54.03 ATOM 812 HG1 ARG 53 7.034 -28.110 34.952 1.00 37.80 ATOM 813 HG2 ARG 53 5.943 -26.988 35.771 1.00 53.42 ATOM 814 CD ARG 53 7.782 -26.123 35.132 1.00 42.13 ATOM 815 HD1 ARG 53 7.364 -25.142 35.313 1.00 37.80 ATOM 816 HD2 ARG 53 8.379 -26.100 34.229 1.00 62.51 ATOM 817 NE ARG 53 8.644 -26.491 36.252 1.00 44.34 ATOM 818 HE ARG 53 8.499 -27.368 36.678 1.00 13.43 ATOM 819 CZ ARG 53 9.611 -25.710 36.722 1.00 32.43 ATOM 820 NH1 ARG 53 9.837 -24.525 36.173 1.00 13.12 ATOM 821 HH11 ARG 53 9.295 -24.195 35.403 1.00 1.23 ATOM 822 HH12 ARG 53 10.568 -23.943 36.536 1.00 3.43 ATOM 823 NH2 ARG 53 10.353 -26.115 37.745 1.00 63.22 ATOM 824 HH21 ARG 53 10.186 -27.009 38.165 1.00 32.14 ATOM 825 HH22 ARG 53 11.083 -25.528 38.102 1.00 23.41 ATOM 826 C ARG 53 4.005 -27.522 32.146 1.00 53.42 ATOM 827 O ARG 53 2.855 -27.152 32.387 1.00 74.51 ATOM 828 N LEU 54 4.515 -27.543 30.919 1.00 11.24 ATOM 829 HN LEU 54 5.447 -27.839 30.785 1.00 37.80 ATOM 830 CA LEU 54 3.736 -27.124 29.759 1.00 33.33 ATOM 831 HA LEU 54 3.411 -26.106 29.918 1.00 45.34 ATOM 832 CB LEU 54 4.598 -27.172 28.497 1.00 42.21 ATOM 833 HB1 LEU 54 5.175 -28.081 28.521 1.00 37.80 ATOM 834 HB2 LEU 54 5.287 -26.338 28.531 1.00 62.32 ATOM 835 CG LEU 54 3.845 -27.122 27.167 1.00 20.31 ATOM 836 HG LEU 54 3.107 -27.905 27.143 1.00 54.42 ATOM 837 CD1 LEU 54 3.126 -25.791 27.010 1.00 64.31 ATOM 838 HD11 LEU 54 3.856 -24.999 27.009 1.00 3.52 ATOM 839 HD12 LEU 54 2.436 -25.647 27.830 1.00 32.12 ATOM 840 HD13 LEU 54 2.580 -25.779 26.077 1.00 3.01 ATOM 841 CD2 LEU 54 4.799 -27.356 26.005 1.00 40.12 ATOM 842 HD21 LEU 54 4.313 -27.135 25.075 1.00 23.33 ATOM 843 HD22 LEU 54 5.110 -28.390 26.004 1.00 51.24 ATOM 844 HD23 LEU 54 5.667 -26.727 26.111 1.00 74.55 ATOM 845 C LEU 54 2.505 -28.008 29.582 1.00 65.41 ATOM 846 O LEU 54 1.433 -27.531 29.210 1.00 13.31 ATOM 847 N LEU 55 2.667 -29.299 29.852 1.00 0.01 ATOM 848 HN LEU 55 3.551 -29.631 30.137 1.00 37.80 ATOM 849 CA LEU 55 1.569 -30.251 29.725 1.00 53.33 ATOM 850 HA LEU 55 1.111 -30.114 28.753 1.00 13.13 ATOM 851 CB LEU 55 2.096 -31.684 29.820 1.00 52.53 ATOM 852 HB1 LEU 55 2.710 -31.759 30.703 1.00 37.80 ATOM 853 HB2 LEU 55 2.712 -31.858 28.962 1.00 32.22 ATOM 854 CG LEU 55 1.037 -32.786 29.875 1.00 4.35 ATOM 855 HG LEU 55 0.393 -32.628 30.727 1.00 4.22 ATOM 856 CD1 LEU 55 0.173 -32.760 28.624 1.00 2.44 ATOM 857 HD11 LEU 55 -0.311 -31.799 28.528 1.00 72.32 ATOM 858 HD12 LEU 55 -0.582 -33.531 28.689 1.00 64.41 ATOM 859 HD13 LEU 55 0.787 -32.939 27.768 1.00 32.01 ATOM 860 CD2 LEU 55 1.694 -34.148 30.044 1.00 44.02 ATOM 861 HD21 LEU 55 2.609 -34.052 30.602 1.00 15.41 ATOM 862 HD22 LEU 55 1.919 -34.581 29.077 1.00 11.52 ATOM 863 HD23 LEU 55 1.021 -34.800 30.580 1.00 25.50 ATOM 864 C LEU 55 0.514 -30.012 30.801 1.00 61.33 ATOM 865 O LEU 55 -0.660 -30.330 30.613 1.00 2.40 ATOM 866 N GLU 56 0.942 -29.450 31.927 1.00 55.53 ATOM 867 HN GLU 56 1.892 -29.230 32.031 1.00 37.80 ATOM 868 CA GLU 56 0.033 -29.167 33.032 1.00 72.43 ATOM 869 HA GLU 56 -0.644 -30.008 33.140 1.00 4.24 ATOM 870 CB GLU 56 0.818 -28.981 34.332 1.00 52.12 ATOM 871 HB1 GLU 56 0.366 -28.199 34.931 1.00 37.80 ATOM 872 HB2 GLU 56 1.829 -28.676 34.094 1.00 45.40 ATOM 873 CG GLU 56 0.905 -30.241 35.176 1.00 10.03 ATOM 874 HG1 GLU 56 1.709 -30.122 35.887 1.00 37.80 ATOM 875 HG2 GLU 56 1.118 -31.087 34.537 1.00 22.02 ATOM 876 CD GLU 56 -0.374 -30.520 35.941 1.00 33.50 ATOM 877 OE1 GLU 56 -0.626 -31.699 36.267 1.00 22.21 ATOM 878 OE2 GLU 56 -1.124 -29.559 36.213 1.00 22.35 ATOM 879 C GLU 56 -0.802 -27.922 32.745 1.00 22.45 ATOM 880 O GLU 56 -1.961 -27.832 33.151 1.00 23.31 ATOM 881 N ARG 57 -0.204 -26.965 32.045 1.00 43.43 ATOM 882 HN ARG 57 0.732 -27.081 31.759 1.00 37.80 ATOM 883 CA ARG 57 -0.890 -25.724 31.706 1.00 53.05 ATOM 884 HA ARG 57 -1.203 -25.259 32.627 1.00 13.42 ATOM 885 CB ARG 57 0.047 -24.791 30.937 1.00 62.13 ATOM 886 HB1 ARG 57 -0.532 -24.139 30.291 1.00 37.80 ATOM 887 HB2 ARG 57 0.708 -25.385 30.321 1.00 21.45 ATOM 888 CG ARG 57 0.904 -23.914 31.834 1.00 2.34 ATOM 889 HG1 ARG 57 1.579 -23.343 31.215 1.00 37.80 ATOM 890 HG2 ARG 57 1.471 -24.541 32.506 1.00 51.20 ATOM 891 CD ARG 57 0.054 -22.954 32.652 1.00 75.03 ATOM 892 HD1 ARG 57 -0.420 -23.501 33.453 1.00 37.80 ATOM 893 HD2 ARG 57 -0.706 -22.525 32.009 1.00 4.24 ATOM 894 NE ARG 57 0.849 -21.874 33.229 1.00 14.41 ATOM 895 HE ARG 57 1.831 -21.960 33.205 1.00 33.34 ATOM 896 CZ ARG 57 0.321 -20.789 33.785 1.00 53.55 ATOM 897 NH1 ARG 57 -0.996 -20.641 33.838 1.00 42.21 ATOM 898 HH11 ARG 57 -1.615 -21.331 33.470 1.00 51.22 ATOM 899 HH12 ARG 57 -1.384 -19.817 34.258 1.00 62.32 ATOM 900 NH2 ARG 57 1.110 -19.849 34.289 1.00 42.34 ATOM 901 HH21 ARG 57 2.106 -19.954 34.252 1.00 2.24 ATOM 902 HH22 ARG 57 0.714 -19.030 34.709 1.00 1.42 ATOM 903 C ARG 57 -2.140 -26.004 30.876 1.00 40.52 ATOM 904 O ARG 57 -3.235 -25.548 31.210 1.00 63.42 ATOM 905 N LEU 58 -1.969 -26.754 29.793 1.00 11.10 ATOM 906 HN LEU 58 -1.078 -27.133 29.610 1.00 37.80 ATOM 907 CA LEU 58 -3.083 -27.094 28.914 1.00 22.24 ATOM 908 HA LEU 58 -3.746 -26.239 28.850 1.00 51.22 ATOM 909 CB LEU 58 -2.570 -27.417 27.510 1.00 40.01 ATOM 910 HB1 LEU 58 -3.401 -27.339 26.822 1.00 37.80 ATOM 911 HB2 LEU 58 -2.223 -28.447 27.505 1.00 61.41 ATOM 912 CG LEU 58 -1.430 -26.539 26.993 1.00 1.44 ATOM 913 HG LEU 58 -0.619 -26.536 27.702 1.00 12.50 ATOM 914 CD1 LEU 58 -0.881 -27.090 25.687 1.00 52.04 ATOM 915 HD11 LEU 58 0.183 -26.912 25.648 1.00 45.31 ATOM 916 HD12 LEU 58 -1.350 -26.599 24.847 1.00 13.51 ATOM 917 HD13 LEU 58 -1.065 -28.150 25.629 1.00 41.34 ATOM 918 CD2 LEU 58 -1.902 -25.103 26.812 1.00 33.43 ATOM 919 HD21 LEU 58 -1.080 -24.492 26.464 1.00 22.15 ATOM 920 HD22 LEU 58 -2.256 -24.716 27.757 1.00 20.31 ATOM 921 HD23 LEU 58 -2.705 -25.071 26.088 1.00 35.34 ATOM 922 C LEU 58 -3.869 -28.279 29.466 1.00 60.31 ATOM 923 O LEU 58 -5.100 -28.262 29.495 1.00 73.15 ATOM 924 N LEU 59 -3.150 -29.307 29.905 1.00 51.41 ATOM 925 HN LEU 59 -2.167 -29.277 29.857 1.00 37.80 ATOM 926 CA LEU 59 -3.780 -30.500 30.458 1.00 31.34 ATOM 927 HA LEU 59 -4.851 -30.394 30.421 1.00 71.44 ATOM 928 CB LEU 59 -3.394 -31.732 29.638 1.00 64.02 ATOM 929 HB1 LEU 59 -3.729 -32.617 30.169 1.00 37.80 ATOM 930 HB2 LEU 59 -2.317 -31.764 29.576 1.00 50.33 ATOM 931 CG LEU 59 -3.956 -31.795 28.217 1.00 24.42 ATOM 932 HG LEU 59 -3.614 -30.932 27.663 1.00 65.34 ATOM 933 CD1 LEU 59 -3.456 -33.041 27.501 1.00 55.42 ATOM 934 HD11 LEU 59 -3.789 -33.924 28.029 1.00 33.33 ATOM 935 HD12 LEU 59 -2.375 -33.030 27.467 1.00 3.03 ATOM 936 HD13 LEU 59 -3.843 -33.059 26.491 1.00 63.04 ATOM 937 CD2 LEU 59 -5.477 -31.767 28.244 1.00 42.24 ATOM 938 HD21 LEU 59 -5.848 -32.569 28.868 1.00 62.42 ATOM 939 HD22 LEU 59 -5.861 -31.891 27.240 1.00 14.35 ATOM 940 HD23 LEU 59 -5.818 -30.821 28.633 1.00 32.40 ATOM 941 C LEU 59 -3.380 -30.701 31.917 1.00 50.43 ATOM 942 O LEU 59 -2.590 -31.583 32.254 1.00 40.33 ATOM 943 N PRO 60 -3.939 -29.865 32.804 1.00 10.41 ATOM 944 CA PRO 60 -3.658 -29.932 34.241 1.00 4.22 ATOM 945 HA PRO 60 -2.599 -29.889 34.426 1.00 73.33 ATOM 946 CB PRO 60 -4.325 -28.669 34.793 1.00 63.42 ATOM 947 HB1 PRO 60 -3.605 -27.870 34.846 1.00 37.80 ATOM 948 HB2 PRO 60 -4.728 -28.850 35.782 1.00 24.41 ATOM 949 CG PRO 60 -5.405 -28.355 33.817 1.00 54.21 ATOM 950 HG1 PRO 60 -5.602 -27.293 33.817 1.00 37.80 ATOM 951 HG2 PRO 60 -6.300 -28.904 34.071 1.00 10.13 ATOM 952 CD PRO 60 -4.889 -28.790 32.473 1.00 14.41 ATOM 953 HD1 PRO 60 -4.388 -27.966 31.995 1.00 37.80 ATOM 954 HD2 PRO 60 -5.702 -29.152 31.863 1.00 51.34 ATOM 955 C PRO 60 -4.253 -31.176 34.891 1.00 60.21 ATOM 956 O PRO 60 -5.463 -31.395 34.844 1.00 42.44 ATOM 957 N GLY 61 -3.394 -31.990 35.498 1.00 13.23 ATOM 958 HN GLY 61 -2.450 -31.775 35.516 1.00 37.80 ATOM 959 CA GLY 61 -3.855 -33.202 36.149 1.00 21.23 ATOM 960 HA1 GLY 61 -4.937 -33.224 36.203 1.00 37.80 ATOM 961 HA2 GLY 61 -3.465 -33.214 37.156 1.00 3.10 ATOM 962 C GLY 61 -3.381 -34.456 35.442 1.00 65.20 ATOM 963 O GLY 61 -3.940 -35.536 35.633 1.00 32.34 ATOM 964 N THR 62 -2.346 -34.314 34.620 1.00 64.44 ATOM 965 HN THR 62 -1.933 -33.437 34.488 1.00 37.80 ATOM 966 CA THR 62 -1.798 -35.444 33.879 1.00 42.53 ATOM 967 HA THR 62 -2.483 -36.283 33.958 1.00 73.10 ATOM 968 CB THR 62 -1.625 -35.105 32.386 1.00 72.41 ATOM 969 HB THR 62 -0.688 -34.578 32.241 1.00 33.12 ATOM 970 OG1 THR 62 -2.693 -34.257 31.949 1.00 4.32 ATOM 971 HG1 THR 62 -2.509 -33.352 32.203 1.00 31.35 ATOM 972 CG2 THR 62 -1.600 -36.372 31.544 1.00 54.15 ATOM 973 HG21 THR 62 -1.478 -36.108 30.504 1.00 11.23 ATOM 974 HG22 THR 62 -2.528 -36.910 31.671 1.00 50.44 ATOM 975 HG23 THR 62 -0.775 -36.998 31.854 1.00 32.10 ATOM 976 C THR 62 -0.452 -35.875 34.449 1.00 4.54 ATOM 977 O THR 62 -0.047 -37.029 34.307 1.00 54.12 ATOM 978 N ILE 63 0.238 -34.941 35.096 1.00 11.31 ATOM 979 HN ILE 63 -0.116 -34.031 35.182 1.00 37.80 ATOM 980 CA ILE 63 1.538 -35.226 35.690 1.00 42.31 ATOM 981 HA ILE 63 1.976 -36.074 35.169 1.00 21.32 ATOM 982 CB ILE 63 2.502 -34.034 35.534 1.00 73.54 ATOM 983 HB ILE 63 2.145 -33.217 36.148 1.00 61.30 ATOM 984 CG1 ILE 63 2.544 -33.572 34.076 1.00 70.54 ATOM 985 HG11 ILE 63 3.184 -32.703 34.002 1.00 37.80 ATOM 986 HG12 ILE 63 1.551 -33.300 33.749 1.00 41.14 ATOM 987 CG2 ILE 63 3.894 -34.413 36.016 1.00 42.23 ATOM 988 HG21 ILE 63 3.889 -34.502 37.092 1.00 74.24 ATOM 989 HG22 ILE 63 4.603 -33.646 35.733 1.00 40.14 ATOM 990 HG23 ILE 63 4.199 -35.356 35.585 1.00 4.23 ATOM 991 CD1 ILE 63 3.080 -34.620 33.125 1.00 3.12 ATOM 992 HD11 ILE 63 3.773 -34.153 32.440 1.00 4.35 ATOM 993 HD12 ILE 63 2.259 -35.036 32.565 1.00 22.11 ATOM 994 HD13 ILE 63 3.582 -35.419 33.646 1.00 1.23 ATOM 995 C ILE 63 1.404 -35.566 37.170 1.00 11.33 ATOM 996 O ILE 63 0.924 -34.755 37.962 1.00 75.22 ATOM 997 N GLU 64 1.833 -36.769 37.537 1.00 64.21 ATOM 998 HN GLU 64 2.216 -37.377 36.862 1.00 37.80 ATOM 999 CA GLU 64 1.762 -37.216 38.923 1.00 14.43 ATOM 1000 HA GLU 64 1.039 -36.610 39.456 1.00 72.43 ATOM 1001 CB GLU 64 1.303 -38.674 38.990 1.00 44.03 ATOM 1002 HB1 GLU 64 1.951 -39.271 38.365 1.00 37.80 ATOM 1003 HB2 GLU 64 0.293 -38.732 38.605 1.00 45.51 ATOM 1004 CG GLU 64 1.325 -39.255 40.393 1.00 35.25 ATOM 1005 HG1 GLU 64 0.867 -38.552 41.076 1.00 37.80 ATOM 1006 HG2 GLU 64 2.350 -39.425 40.686 1.00 71.31 ATOM 1007 CD GLU 64 0.580 -40.573 40.491 1.00 52.53 ATOM 1008 OE1 GLU 64 0.325 -41.190 39.436 1.00 65.22 ATOM 1009 OE2 GLU 64 0.252 -40.986 41.623 1.00 53.43 ATOM 1010 C GLU 64 3.114 -37.064 39.614 1.00 13.23 ATOM 1011 O GLU 64 3.188 -36.684 40.783 1.00 35.43 ATOM 1012 N LYS 65 4.182 -37.364 38.883 1.00 10.54 ATOM 1013 HN LYS 65 4.070 -37.696 37.962 1.00 37.80 ATOM 1014 CA LYS 65 5.532 -37.261 39.423 1.00 5.43 ATOM 1015 HA LYS 65 5.522 -36.565 40.256 1.00 1.14 ATOM 1016 CB LYS 65 6.004 -38.623 39.936 1.00 20.22 ATOM 1017 HB1 LYS 65 5.835 -39.360 39.165 1.00 37.80 ATOM 1018 HB2 LYS 65 5.422 -38.890 40.807 1.00 45.24 ATOM 1019 CG LYS 65 7.476 -38.657 40.309 1.00 1.51 ATOM 1020 HG1 LYS 65 8.077 -38.386 39.455 1.00 37.80 ATOM 1021 HG2 LYS 65 7.718 -39.668 40.592 1.00 54.20 ATOM 1022 CD LYS 65 7.782 -37.709 41.457 1.00 21.42 ATOM 1023 HD1 LYS 65 6.890 -37.540 42.048 1.00 37.80 ATOM 1024 HD2 LYS 65 8.127 -36.772 41.052 1.00 4.33 ATOM 1025 CE LYS 65 8.865 -38.268 42.367 1.00 31.44 ATOM 1026 HE1 LYS 65 9.131 -37.511 43.090 1.00 37.80 ATOM 1027 HE2 LYS 65 9.734 -38.516 41.775 1.00 43.11 ATOM 1028 NZ LYS 65 8.406 -39.486 43.092 1.00 44.10 ATOM 1029 HZ1 LYS 65 7.500 -39.306 43.576 1.00 32.02 ATOM 1030 HZ2 LYS 65 9.112 -39.757 43.806 1.00 70.50 ATOM 1031 HZ3 LYS 65 8.285 -40.279 42.434 1.00 12.23 ATOM 1032 C LYS 65 6.502 -36.740 38.367 1.00 3.34 ATOM 1033 O LYS 65 6.511 -37.213 37.231 1.00 25.10 ATOM 1034 N VAL 66 7.319 -35.763 38.751 1.00 73.14 ATOM 1035 HN VAL 66 7.252 -35.400 39.665 1.00 37.80 ATOM 1036 CA VAL 66 8.294 -35.180 37.838 1.00 44.15 ATOM 1037 HA VAL 66 8.460 -35.872 37.017 1.00 15.11 ATOM 1038 CB VAL 66 7.792 -33.845 37.257 1.00 10.43 ATOM 1039 HB VAL 66 6.754 -33.961 36.981 1.00 61.54 ATOM 1040 CG1 VAL 66 7.886 -32.740 38.299 1.00 32.43 ATOM 1041 HG11 VAL 66 8.879 -32.319 38.308 1.00 14.02 ATOM 1042 HG12 VAL 66 7.651 -33.128 39.282 1.00 4.41 ATOM 1043 HG13 VAL 66 7.178 -31.963 38.051 1.00 21.13 ATOM 1044 CG2 VAL 66 8.578 -33.478 36.008 1.00 50.24 ATOM 1045 HG21 VAL 66 8.649 -34.332 35.348 1.00 65.42 ATOM 1046 HG22 VAL 66 9.569 -33.142 36.273 1.00 25.43 ATOM 1047 HG23 VAL 66 8.067 -32.678 35.498 1.00 52.24 ATOM 1048 C VAL 66 9.630 -34.948 38.535 1.00 11.13 ATOM 1049 O VAL 66 9.700 -34.896 39.763 1.00 13.25 ATOM 1050 N TYR 67 10.688 -34.808 37.744 1.00 32.53 ATOM 1051 HN TYR 67 10.591 -34.905 36.772 1.00 37.80 ATOM 1052 CA TYR 67 12.023 -34.584 38.286 1.00 52.41 ATOM 1053 HA TYR 67 12.006 -34.719 39.352 1.00 33.44 ATOM 1054 CB TYR 67 13.010 -35.596 37.702 1.00 11.14 ATOM 1055 HB1 TYR 67 14.005 -35.371 38.067 1.00 37.80 ATOM 1056 HB2 TYR 67 13.010 -35.516 36.629 1.00 53.23 ATOM 1057 CG TYR 67 12.705 -37.027 38.082 1.00 74.30 ATOM 1058 CD1 TYR 67 12.875 -38.060 37.168 1.00 30.22 ATOM 1059 HD1 TYR 67 13.226 -37.832 36.180 1.00 54.24 ATOM 1060 CD2 TYR 67 12.245 -37.347 39.354 1.00 41.15 ATOM 1061 HD2 TYR 67 12.108 -36.570 40.088 1.00 60.04 ATOM 1062 CE1 TYR 67 12.597 -39.370 37.510 1.00 13.52 ATOM 1063 HE1 TYR 67 12.736 -40.159 36.785 1.00 25.02 ATOM 1064 CE2 TYR 67 11.966 -38.653 39.705 1.00 72.43 ATOM 1065 HE2 TYR 67 11.612 -38.881 40.699 1.00 11.25 ATOM 1066 CZ TYR 67 12.143 -39.661 38.780 1.00 71.04 ATOM 1067 OH TYR 67 11.864 -40.964 39.125 1.00 4.41 ATOM 1068 HH TYR 67 12.684 -41.456 39.235 1.00 41.23 ATOM 1069 C TYR 67 12.498 -33.164 37.991 1.00 65.32 ATOM 1070 O TYR 67 13.224 -32.913 37.028 1.00 14.53 ATOM 1071 N PRO 68 12.081 -32.213 38.840 1.00 62.34 ATOM 1072 CA PRO 68 12.453 -30.803 38.693 1.00 54.24 ATOM 1073 HA PRO 68 12.225 -30.439 37.713 1.00 13.25 ATOM 1074 CB PRO 68 11.575 -30.095 39.728 1.00 75.14 ATOM 1075 HB1 PRO 68 10.667 -29.755 39.252 1.00 37.80 ATOM 1076 HB2 PRO 68 12.094 -29.247 40.160 1.00 12.31 ATOM 1077 CG PRO 68 11.282 -31.136 40.752 1.00 25.41 ATOM 1078 HG1 PRO 68 10.335 -30.927 41.228 1.00 37.80 ATOM 1079 HG2 PRO 68 12.074 -31.162 41.486 1.00 3.31 ATOM 1080 CD PRO 68 11.215 -32.442 40.009 1.00 43.45 ATOM 1081 HD1 PRO 68 10.210 -32.631 39.717 1.00 37.80 ATOM 1082 HD2 PRO 68 11.591 -33.237 40.633 1.00 53.13 ATOM 1083 C PRO 68 13.928 -30.558 38.989 1.00 2.13 ATOM 1084 O PRO 68 14.494 -29.548 38.573 1.00 4.23 ATOM 1085 N GLU 69 14.545 -31.489 39.710 1.00 33.15 ATOM 1086 HN GLU 69 14.047 -32.262 40.055 1.00 37.80 ATOM 1087 CA GLU 69 15.955 -31.373 40.062 1.00 10.43 ATOM 1088 HA GLU 69 16.413 -30.593 39.468 1.00 64.31 ATOM 1089 CB GLU 69 16.106 -30.986 41.535 1.00 12.11 ATOM 1090 HB1 GLU 69 17.125 -30.666 41.704 1.00 37.80 ATOM 1091 HB2 GLU 69 15.898 -31.847 42.158 1.00 33.22 ATOM 1092 CG GLU 69 15.172 -29.869 41.970 1.00 73.21 ATOM 1093 HG1 GLU 69 14.154 -30.227 41.921 1.00 37.80 ATOM 1094 HG2 GLU 69 15.290 -29.030 41.299 1.00 51.24 ATOM 1095 CD GLU 69 15.448 -29.395 43.383 1.00 10.24 ATOM 1096 OE1 GLU 69 16.178 -28.394 43.542 1.00 14.00 ATOM 1097 OE2 GLU 69 14.934 -30.025 44.331 1.00 13.02 ATOM 1098 C GLU 69 16.693 -32.680 39.790 1.00 5.11 ATOM 1099 O GLU 69 17.084 -33.404 40.706 1.00 34.21 ATOM 1100 N PRO 70 16.890 -32.990 38.500 1.00 30.42 ATOM 1101 CA PRO 70 17.582 -34.211 38.076 1.00 24.14 ATOM 1102 HA PRO 70 17.134 -35.083 38.517 1.00 54.54 ATOM 1103 CB PRO 70 17.360 -34.237 36.562 1.00 24.21 ATOM 1104 HB1 PRO 70 16.485 -34.829 36.341 1.00 37.80 ATOM 1105 HB2 PRO 70 18.218 -34.659 36.053 1.00 52.41 ATOM 1106 CG PRO 70 17.148 -32.812 36.186 1.00 50.53 ATOM 1107 HG1 PRO 70 16.528 -32.753 35.304 1.00 37.80 ATOM 1108 HG2 PRO 70 18.100 -32.333 36.009 1.00 10.15 ATOM 1109 CD PRO 70 16.452 -32.174 37.356 1.00 51.40 ATOM 1110 HD1 PRO 70 15.389 -32.219 37.233 1.00 37.80 ATOM 1111 HD2 PRO 70 16.777 -31.151 37.461 1.00 3.35 ATOM 1112 C PRO 70 19.073 -34.173 38.396 1.00 51.43 ATOM 1113 O PRO 70 19.708 -33.121 38.313 1.00 20.22 ATOM 1114 N ARG 71 19.625 -35.325 38.760 1.00 63.22 ATOM 1115 HN ARG 71 19.062 -36.128 38.841 1.00 37.80 ATOM 1116 CA ARG 71 21.042 -35.422 39.092 1.00 35.41 ATOM 1117 HA ARG 71 21.490 -34.438 39.022 1.00 33.21 ATOM 1118 CB ARG 71 21.218 -35.945 40.519 1.00 73.30 ATOM 1119 HB1 ARG 71 21.077 -37.019 40.529 1.00 37.80 ATOM 1120 HB2 ARG 71 20.461 -35.497 41.152 1.00 43.44 ATOM 1121 CG ARG 71 22.583 -35.643 41.114 1.00 0.33 ATOM 1122 HG1 ARG 71 23.352 -35.893 40.395 1.00 37.80 ATOM 1123 HG2 ARG 71 22.714 -36.242 42.003 1.00 1.31 ATOM 1124 CD ARG 71 22.714 -34.175 41.491 1.00 72.13 ATOM 1125 HD1 ARG 71 21.853 -33.878 42.076 1.00 37.80 ATOM 1126 HD2 ARG 71 22.746 -33.596 40.580 1.00 52.31 ATOM 1127 NE ARG 71 23.922 -33.915 42.268 1.00 25.00 ATOM 1128 HE ARG 71 24.397 -34.688 42.654 1.00 71.22 ATOM 1129 CZ ARG 71 24.409 -32.698 42.485 1.00 32.23 ATOM 1130 NH1 ARG 71 23.792 -31.635 41.987 1.00 64.53 ATOM 1131 HH11 ARG 71 22.958 -31.720 41.447 1.00 0.23 ATOM 1132 HH12 ARG 71 24.169 -30.722 42.154 1.00 61.12 ATOM 1133 NH2 ARG 71 25.514 -32.542 43.203 1.00 31.52 ATOM 1134 HH21 ARG 71 25.984 -33.341 43.584 1.00 62.21 ATOM 1135 HH22 ARG 71 25.883 -31.625 43.368 1.00 62.50 ATOM 1136 C ARG 71 21.769 -36.337 38.111 1.00 52.35 ATOM 1137 O ARG 71 22.978 -36.216 37.914 1.00 71.23 ATOM 1138 N SER 72 21.023 -37.251 37.498 1.00 44.12 ATOM 1139 HN SER 72 20.070 -37.336 37.698 1.00 37.80 ATOM 1140 CA SER 72 21.598 -38.189 36.540 1.00 14.41 ATOM 1141 HA SER 72 22.636 -37.935 36.364 1.00 30.12 ATOM 1142 CB SER 72 21.536 -39.615 37.091 1.00 42.43 ATOM 1143 HB1 SER 72 22.212 -40.245 36.533 1.00 37.80 ATOM 1144 HB2 SER 72 20.528 -40.003 37.005 1.00 34.51 ATOM 1145 OG SER 72 21.913 -39.651 38.456 1.00 3.33 ATOM 1146 HG SER 72 21.171 -39.381 39.004 1.00 11.42 ATOM 1147 C SER 72 20.866 -38.116 35.203 1.00 3.31 ATOM 1148 O SER 72 20.001 -37.264 35.003 1.00 34.43 ATOM 1149 N GLU 73 21.222 -39.015 34.291 1.00 21.22 ATOM 1150 HN GLU 73 21.931 -39.667 34.497 1.00 37.80 ATOM 1151 CA GLU 73 20.600 -39.052 32.973 1.00 64.43 ATOM 1152 HA GLU 73 20.427 -38.032 32.645 1.00 51.10 ATOM 1153 CB GLU 73 21.521 -39.752 31.970 1.00 53.40 ATOM 1154 HB1 GLU 73 20.920 -40.211 31.192 1.00 37.80 ATOM 1155 HB2 GLU 73 22.059 -40.536 32.485 1.00 72.04 ATOM 1156 CG GLU 73 22.505 -38.814 31.291 1.00 24.34 ATOM 1157 HG1 GLU 73 22.455 -37.840 31.751 1.00 37.80 ATOM 1158 HG2 GLU 73 22.241 -38.742 30.259 1.00 73.14 ATOM 1159 CD GLU 73 23.936 -39.308 31.380 1.00 5.23 ATOM 1160 OE1 GLU 73 24.142 -40.539 31.350 1.00 74.42 ATOM 1161 OE2 GLU 73 24.851 -38.463 31.481 1.00 73.34 ATOM 1162 C GLU 73 19.253 -39.766 33.027 1.00 72.35 ATOM 1163 O GLU 73 18.290 -39.347 32.385 1.00 51.33 ATOM 1164 N SER 74 19.193 -40.848 33.797 1.00 62.15 ATOM 1165 HN SER 74 20.001 -41.149 34.277 1.00 37.80 ATOM 1166 CA SER 74 17.966 -41.624 33.931 1.00 13.34 ATOM 1167 HA SER 74 17.758 -42.087 32.977 1.00 32.24 ATOM 1168 CB SER 74 18.142 -42.718 34.986 1.00 1.21 ATOM 1169 HB1 SER 74 17.240 -43.311 35.046 1.00 37.80 ATOM 1170 HB2 SER 74 18.340 -42.265 35.947 1.00 64.01 ATOM 1171 OG SER 74 19.224 -43.572 34.659 1.00 63.13 ATOM 1172 HG SER 74 19.219 -44.334 35.243 1.00 50.42 ATOM 1173 C SER 74 16.793 -40.723 34.307 1.00 32.44 ATOM 1174 O SER 74 15.698 -40.853 33.761 1.00 40.32 ATOM 1175 N GLU 75 17.032 -39.812 35.245 1.00 55.52 ATOM 1176 HN GLU 75 17.929 -39.759 35.653 1.00 37.80 ATOM 1177 CA GLU 75 15.995 -38.890 35.695 1.00 72.12 ATOM 1178 HA GLU 75 15.109 -39.468 35.935 1.00 24.13 ATOM 1179 CB GLU 75 16.459 -38.135 36.942 1.00 40.10 ATOM 1180 HB1 GLU 75 15.977 -37.162 36.969 1.00 37.80 ATOM 1181 HB2 GLU 75 17.529 -37.986 36.890 1.00 14.43 ATOM 1182 CG GLU 75 16.145 -38.856 38.242 1.00 1.21 ATOM 1183 HG1 GLU 75 16.950 -39.543 38.455 1.00 37.80 ATOM 1184 HG2 GLU 75 15.225 -39.410 38.138 1.00 53.31 ATOM 1185 CD GLU 75 16.004 -37.907 39.416 1.00 12.41 ATOM 1186 OE1 GLU 75 14.973 -37.978 40.117 1.00 31.20 ATOM 1187 OE2 GLU 75 16.925 -37.092 39.634 1.00 62.02 ATOM 1188 C GLU 75 15.632 -37.899 34.592 1.00 32.25 ATOM 1189 O GLU 75 14.460 -37.740 34.248 1.00 42.14 ATOM 1190 N CYS 76 16.644 -37.236 34.045 1.00 70.03 ATOM 1191 HN CYS 76 17.562 -37.404 34.368 1.00 37.80 ATOM 1192 CA CYS 76 16.432 -36.259 32.982 1.00 24.23 ATOM 1193 HA CYS 76 15.904 -35.418 33.410 1.00 45.31 ATOM 1194 CB CYS 76 17.774 -35.779 32.427 1.00 24.55 ATOM 1195 HB1 CYS 76 18.245 -36.577 31.868 1.00 37.80 ATOM 1196 HB2 CYS 76 18.414 -35.505 33.253 1.00 45.15 ATOM 1197 SG CYS 76 17.652 -34.340 31.340 1.00 75.31 ATOM 1198 HG CYS 76 16.371 -34.023 31.224 1.00 63.41 ATOM 1199 C CYS 76 15.587 -36.851 31.860 1.00 74.43 ATOM 1200 O CYS 76 14.520 -36.331 31.531 1.00 51.24 ATOM 1201 N LEU 77 16.070 -37.941 31.274 1.00 30.42 ATOM 1202 HN LEU 77 16.930 -38.313 31.584 1.00 37.80 ATOM 1203 CA LEU 77 15.359 -38.605 30.186 1.00 3.43 ATOM 1204 HA LEU 77 15.334 -37.930 29.343 1.00 11.44 ATOM 1205 CB LEU 77 16.093 -39.883 29.776 1.00 13.22 ATOM 1206 HB1 LEU 77 15.488 -40.413 29.048 1.00 37.80 ATOM 1207 HB2 LEU 77 16.172 -40.505 30.661 1.00 73.03 ATOM 1208 CG LEU 77 17.494 -39.695 29.193 1.00 32.24 ATOM 1209 HG LEU 77 18.036 -38.974 29.789 1.00 44.32 ATOM 1210 CD1 LEU 77 18.268 -41.004 29.233 1.00 0.50 ATOM 1211 HD11 LEU 77 19.263 -40.849 28.839 1.00 22.41 ATOM 1212 HD12 LEU 77 17.759 -41.749 28.636 1.00 33.44 ATOM 1213 HD13 LEU 77 18.340 -41.351 30.255 1.00 74.15 ATOM 1214 CD2 LEU 77 17.413 -39.164 27.770 1.00 75.45 ATOM 1215 HD21 LEU 77 16.885 -38.220 27.765 1.00 61.55 ATOM 1216 HD22 LEU 77 16.887 -39.872 27.145 1.00 15.25 ATOM 1217 HD23 LEU 77 18.411 -39.014 27.381 1.00 74.14 ATOM 1218 C LEU 77 13.927 -38.935 30.593 1.00 12.22 ATOM 1219 O LEU 77 13.030 -38.996 29.752 1.00 64.22 ATOM 1220 N SER 78 13.719 -39.145 31.889 1.00 14.41 ATOM 1221 HN SER 78 14.476 -39.144 32.508 1.00 37.80 ATOM 1222 CA SER 78 12.395 -39.470 32.408 1.00 62.12 ATOM 1223 HA SER 78 12.013 -40.316 31.850 1.00 0.31 ATOM 1224 CB SER 78 12.483 -39.850 33.887 1.00 2.53 ATOM 1225 HB1 SER 78 12.000 -39.102 34.504 1.00 37.80 ATOM 1226 HB2 SER 78 13.512 -39.937 34.189 1.00 25.31 ATOM 1227 OG SER 78 11.859 -41.098 34.132 1.00 62.25 ATOM 1228 HG SER 78 12.030 -41.370 35.037 1.00 65.31 ATOM 1229 C SER 78 11.438 -38.296 32.228 1.00 14.03 ATOM 1230 O SER 78 10.285 -38.475 31.837 1.00 62.22 ATOM 1231 N ASN 79 11.925 -37.094 32.518 1.00 14.31 ATOM 1232 HN ASN 79 12.853 -37.011 32.844 1.00 37.80 ATOM 1233 CA ASN 79 11.113 -35.889 32.390 1.00 73.02 ATOM 1234 HA ASN 79 10.318 -35.943 33.122 1.00 34.30 ATOM 1235 CB ASN 79 11.964 -34.645 32.650 1.00 3.14 ATOM 1236 HB1 ASN 79 11.436 -33.773 32.298 1.00 37.80 ATOM 1237 HB2 ASN 79 12.896 -34.728 32.119 1.00 53.10 ATOM 1238 CG ASN 79 12.256 -34.442 34.125 1.00 74.22 ATOM 1239 OD1 ASN 79 11.501 -34.895 34.986 1.00 64.20 ATOM 1240 ND2 ASN 79 13.354 -33.758 34.422 1.00 23.11 ATOM 1241 HD21 ASN 79 13.919 -33.418 33.692 1.00 72.10 ATOM 1242 HD22 ASN 79 13.562 -33.619 35.368 1.00 40.04 ATOM 1243 C ASN 79 10.480 -35.805 31.004 1.00 11.41 ATOM 1244 O ASN 79 9.276 -35.580 30.873 1.00 22.12 ATOM 1245 N ILE 80 11.299 -35.987 29.974 1.00 53.53 ATOM 1246 HN ILE 80 12.252 -36.179 30.144 1.00 37.80 ATOM 1247 CA ILE 80 10.819 -35.933 28.598 1.00 12.34 ATOM 1248 HA ILE 80 10.352 -34.967 28.441 1.00 53.42 ATOM 1249 CB ILE 80 11.975 -36.081 27.592 1.00 5.23 ATOM 1250 HB ILE 80 12.442 -37.033 27.774 1.00 43.44 ATOM 1251 CG1 ILE 80 13.002 -34.964 27.794 1.00 31.11 ATOM 1252 HG11 ILE 80 13.066 -34.697 28.839 1.00 37.80 ATOM 1253 HG12 ILE 80 12.708 -34.086 27.239 1.00 54.32 ATOM 1254 CG2 ILE 80 11.443 -36.067 26.167 1.00 11.03 ATOM 1255 HG21 ILE 80 12.230 -35.795 25.479 1.00 64.40 ATOM 1256 HG22 ILE 80 10.636 -35.351 26.075 1.00 51.23 ATOM 1257 HG23 ILE 80 11.079 -37.050 25.914 1.00 2.32 ATOM 1258 CD1 ILE 80 14.400 -35.342 27.356 1.00 13.13 ATOM 1259 HD11 ILE 80 15.068 -34.511 27.527 1.00 40.14 ATOM 1260 HD12 ILE 80 14.393 -35.589 26.304 1.00 71.41 ATOM 1261 HD13 ILE 80 14.737 -36.197 27.924 1.00 63.34 ATOM 1262 C ILE 80 9.787 -37.023 28.333 1.00 34.43 ATOM 1263 O ILE 80 8.711 -36.757 27.796 1.00 65.32 ATOM 1264 N ARG 81 10.120 -38.252 28.716 1.00 43.35 ATOM 1265 HN ARG 81 11.000 -38.405 29.137 1.00 37.80 ATOM 1266 CA ARG 81 9.222 -39.383 28.520 1.00 60.32 ATOM 1267 HA ARG 81 9.098 -39.538 27.463 1.00 14.21 ATOM 1268 CB ARG 81 9.819 -40.649 29.139 1.00 51.44 ATOM 1269 HB1 ARG 81 9.062 -41.424 29.153 1.00 37.80 ATOM 1270 HB2 ARG 81 10.103 -40.426 30.159 1.00 1.30 ATOM 1271 CG ARG 81 11.051 -41.160 28.410 1.00 72.10 ATOM 1272 HG1 ARG 81 11.843 -41.297 29.130 1.00 37.80 ATOM 1273 HG2 ARG 81 11.368 -40.442 27.664 1.00 60.31 ATOM 1274 CD ARG 81 10.780 -42.489 27.722 1.00 14.02 ATOM 1275 HD1 ARG 81 11.678 -42.816 27.217 1.00 37.80 ATOM 1276 HD2 ARG 81 9.999 -42.342 26.989 1.00 51.11 ATOM 1277 NE ARG 81 10.346 -43.515 28.666 1.00 34.32 ATOM 1278 HE ARG 81 9.390 -43.742 28.676 1.00 14.44 ATOM 1279 CZ ARG 81 11.169 -44.145 29.497 1.00 71.11 ATOM 1280 NH1 ARG 81 12.463 -43.855 29.500 1.00 15.44 ATOM 1281 HH11 ARG 81 12.850 -43.171 28.889 1.00 74.30 ATOM 1282 HH12 ARG 81 13.073 -44.335 30.134 1.00 62.52 ATOM 1283 NH2 ARG 81 10.698 -45.067 30.327 1.00 65.52 ATOM 1284 HH21 ARG 81 9.721 -45.291 30.330 1.00 32.01 ATOM 1285 HH22 ARG 81 11.317 -45.544 30.955 1.00 13.13 ATOM 1286 C ARG 81 7.853 -39.102 29.131 1.00 35.43 ATOM 1287 O ARG 81 6.822 -39.337 28.502 1.00 73.22 ATOM 1288 N GLU 82 7.851 -38.599 30.362 1.00 64.13 ATOM 1289 HN GLU 82 8.711 -38.447 30.820 1.00 37.80 ATOM 1290 CA GLU 82 6.608 -38.288 31.058 1.00 45.01 ATOM 1291 HA GLU 82 6.094 -39.222 31.241 1.00 55.01 ATOM 1292 CB GLU 82 6.904 -37.590 32.387 1.00 35.34 ATOM 1293 HB1 GLU 82 6.457 -36.610 32.387 1.00 37.80 ATOM 1294 HB2 GLU 82 7.972 -37.474 32.514 1.00 42.42 ATOM 1295 CG GLU 82 6.366 -38.335 33.598 1.00 52.21 ATOM 1296 HG1 GLU 82 5.304 -38.489 33.471 1.00 37.80 ATOM 1297 HG2 GLU 82 6.537 -37.734 34.478 1.00 70.24 ATOM 1298 CD GLU 82 7.032 -39.682 33.798 1.00 45.02 ATOM 1299 OE1 GLU 82 8.192 -39.841 33.362 1.00 32.42 ATOM 1300 OE2 GLU 82 6.394 -40.577 34.391 1.00 41.14 ATOM 1301 C GLU 82 5.709 -37.406 30.197 1.00 73.11 ATOM 1302 O GLU 82 4.537 -37.718 29.982 1.00 63.14 ATOM 1303 N PHE 83 6.265 -36.303 29.708 1.00 52.15 ATOM 1304 HN PHE 83 7.210 -36.106 29.918 1.00 37.80 ATOM 1305 CA PHE 83 5.513 -35.374 28.871 1.00 23.23 ATOM 1306 HA PHE 83 4.709 -34.963 29.466 1.00 64.15 ATOM 1307 CB PHE 83 6.416 -34.231 28.403 1.00 22.02 ATOM 1308 HB1 PHE 83 7.317 -34.652 27.975 1.00 37.80 ATOM 1309 HB2 PHE 83 6.688 -33.628 29.260 1.00 21.42 ATOM 1310 CG PHE 83 5.772 -33.339 27.380 1.00 25.04 ATOM 1311 CD1 PHE 83 5.942 -33.580 26.027 1.00 65.04 ATOM 1312 HD1 PHE 83 6.544 -34.419 25.705 1.00 44.42 ATOM 1313 CD2 PHE 83 4.997 -32.260 27.773 1.00 40.02 ATOM 1314 HD2 PHE 83 4.853 -32.068 28.823 1.00 53.34 ATOM 1315 CE1 PHE 83 5.352 -32.760 25.084 1.00 71.34 ATOM 1316 HE1 PHE 83 5.493 -32.958 24.032 1.00 5.04 ATOM 1317 CE2 PHE 83 4.404 -31.437 26.834 1.00 15.12 ATOM 1318 HE2 PHE 83 3.801 -30.600 27.153 1.00 1.41 ATOM 1319 CZ PHE 83 4.580 -31.688 25.488 1.00 65.22 ATOM 1320 HZ PHE 83 4.132 -31.056 24.750 1.00 63.10 ATOM 1321 C PHE 83 4.915 -36.091 27.665 1.00 75.13 ATOM 1322 O PHE 83 3.728 -35.945 27.367 1.00 62.21 ATOM 1323 N LEU 84 5.743 -36.865 26.973 1.00 23.52 ATOM 1324 HN LEU 84 6.672 -36.964 27.283 1.00 37.80 ATOM 1325 CA LEU 84 5.297 -37.606 25.798 1.00 43.31 ATOM 1326 HA LEU 84 4.890 -36.899 25.087 1.00 75.43 ATOM 1327 CB LEU 84 6.478 -38.331 25.149 1.00 11.41 ATOM 1328 HB1 LEU 84 6.136 -38.783 24.226 1.00 37.80 ATOM 1329 HB2 LEU 84 6.776 -39.131 25.821 1.00 35.51 ATOM 1330 CG LEU 84 7.711 -37.475 24.854 1.00 33.44 ATOM 1331 HG LEU 84 7.870 -36.768 25.644 1.00 53.00 ATOM 1332 CD1 LEU 84 8.955 -38.346 24.763 1.00 14.33 ATOM 1333 HD11 LEU 84 8.740 -39.244 24.203 1.00 50.11 ATOM 1334 HD12 LEU 84 9.269 -38.614 25.752 1.00 3.50 ATOM 1335 HD13 LEU 84 9.758 -37.805 24.279 1.00 32.44 ATOM 1336 CD2 LEU 84 7.516 -36.684 23.569 1.00 10.04 ATOM 1337 HD21 LEU 84 6.764 -37.134 22.955 1.00 34.52 ATOM 1338 HD22 LEU 84 8.441 -36.631 23.019 1.00 51.13 ATOM 1339 HD23 LEU 84 7.205 -35.681 23.822 1.00 34.42 ATOM 1340 C LEU 84 4.210 -38.610 26.167 1.00 40.20 ATOM 1341 O LEU 84 3.386 -38.982 25.332 1.00 71.23 ATOM 1342 N ARG 85 4.213 -39.042 27.424 1.00 62.44 ATOM 1343 HN ARG 85 4.916 -38.753 28.038 1.00 37.80 ATOM 1344 CA ARG 85 3.226 -40.002 27.904 1.00 65.44 ATOM 1345 HA ARG 85 3.136 -40.789 27.162 1.00 34.31 ATOM 1346 CB ARG 85 3.681 -40.612 29.231 1.00 72.41 ATOM 1347 HB1 ARG 85 3.309 -40.019 30.058 1.00 37.80 ATOM 1348 HB2 ARG 85 4.765 -40.597 29.260 1.00 60.13 ATOM 1349 CG ARG 85 3.222 -42.048 29.430 1.00 12.43 ATOM 1350 HG1 ARG 85 3.359 -42.600 28.509 1.00 37.80 ATOM 1351 HG2 ARG 85 2.177 -42.047 29.698 1.00 74.44 ATOM 1352 CD ARG 85 4.011 -42.737 30.532 1.00 1.12 ATOM 1353 HD1 ARG 85 5.061 -42.708 30.273 1.00 37.80 ATOM 1354 HD2 ARG 85 3.698 -43.769 30.598 1.00 71.12 ATOM 1355 NE ARG 85 3.832 -42.082 31.825 1.00 32.44 ATOM 1356 HE ARG 85 4.557 -41.497 32.138 1.00 43.11 ATOM 1357 CZ ARG 85 2.753 -42.238 32.585 1.00 61.52 ATOM 1358 NH1 ARG 85 1.763 -43.023 32.183 1.00 61.34 ATOM 1359 HH11 ARG 85 1.799 -43.508 31.313 1.00 44.51 ATOM 1360 HH12 ARG 85 0.955 -43.135 32.766 1.00 64.12 ATOM 1361 NH2 ARG 85 2.663 -41.609 33.750 1.00 65.15 ATOM 1362 HH21 ARG 85 3.408 -41.015 34.060 1.00 11.21 ATOM 1363 HH22 ARG 85 1.850 -41.725 34.324 1.00 24.11 ATOM 1364 C ARG 85 1.863 -39.340 28.076 1.00 13.02 ATOM 1365 O ARG 85 0.825 -39.976 27.898 1.00 61.35 ATOM 1366 N GLY 86 1.873 -38.057 28.426 1.00 64.12 ATOM 1367 HN GLY 86 2.722 -37.587 28.579 1.00 37.80 ATOM 1368 CA GLY 86 0.632 -37.330 28.617 1.00 21.15 ATOM 1369 HA1 GLY 86 0.822 -36.488 29.247 1.00 37.80 ATOM 1370 HA2 GLY 86 -0.092 -37.968 29.110 1.00 73.34 ATOM 1371 C GLY 86 0.040 -36.839 27.311 1.00 22.03 ATOM 1372 O GLY 86 -1.089 -37.187 26.964 1.00 30.21 ATOM 1373 N CYS 87 0.802 -36.027 26.587 1.00 61.43 ATOM 1374 HN CYS 87 1.698 -35.782 26.922 1.00 37.80 ATOM 1375 CA CYS 87 0.345 -35.485 25.312 1.00 61.20 ATOM 1376 HA CYS 87 -0.523 -34.868 25.505 1.00 35.25 ATOM 1377 CB CYS 87 1.446 -34.639 24.670 1.00 34.10 ATOM 1378 HB1 CYS 87 1.390 -34.716 23.591 1.00 37.80 ATOM 1379 HB2 CYS 87 2.413 -34.999 24.992 1.00 33.21 ATOM 1380 SG CYS 87 1.359 -32.880 25.081 1.00 22.50 ATOM 1381 HG CYS 87 0.127 -32.616 25.490 1.00 3.15 ATOM 1382 C CYS 87 -0.072 -36.604 24.363 1.00 23.32 ATOM 1383 O CYS 87 -0.980 -36.437 23.550 1.00 3.13 ATOM 1384 N GLY 88 0.600 -37.747 24.472 1.00 3.51 ATOM 1385 HN GLY 88 1.338 -37.835 25.113 1.00 37.80 ATOM 1386 CA GLY 88 0.287 -38.876 23.617 1.00 73.14 ATOM 1387 HA1 GLY 88 1.176 -39.480 23.512 1.00 37.80 ATOM 1388 HA2 GLY 88 -0.008 -38.526 22.636 1.00 43.14 ATOM 1389 C GLY 88 -0.818 -39.744 24.185 1.00 75.24 ATOM 1390 O GLY 88 -1.305 -40.657 23.518 1.00 41.25 ATOM 1391 N ALA 89 -1.215 -39.461 25.421 1.00 21.11 ATOM 1392 HN ALA 89 -0.802 -38.736 25.911 1.00 37.80 ATOM 1393 CA ALA 89 -2.270 -40.223 26.078 1.00 4.25 ATOM 1394 HA ALA 89 -2.230 -41.250 25.730 1.00 50.11 ATOM 1395 CB ALA 89 -2.048 -40.240 27.584 1.00 71.43 ATOM 1396 HB1 ALA 89 -1.725 -39.270 27.922 1.00 22.02 ATOM 1397 HB2 ALA 89 -1.296 -40.974 27.821 1.00 3.52 ATOM 1398 HB3 ALA 89 -2.966 -40.508 28.093 1.00 22.13 ATOM 1399 C ALA 89 -3.645 -39.652 25.751 1.00 40.51 ATOM 1400 O ALA 89 -4.508 -40.351 25.222 1.00 73.35 ATOM 1401 N SER 90 -3.842 -38.376 26.070 1.00 73.32 ATOM 1402 HN SER 90 -3.106 -37.859 26.477 1.00 37.80 ATOM 1403 CA SER 90 -5.115 -37.712 25.813 1.00 20.33 ATOM 1404 HA SER 90 -5.915 -38.432 25.944 1.00 12.22 ATOM 1405 CB SER 90 -5.326 -36.568 26.806 1.00 14.40 ATOM 1406 HB1 SER 90 -4.391 -36.047 26.964 1.00 37.80 ATOM 1407 HB2 SER 90 -5.674 -36.972 27.745 1.00 21.40 ATOM 1408 OG SER 90 -6.289 -35.646 26.324 1.00 0.03 ATOM 1409 HG SER 90 -5.850 -34.932 25.854 1.00 2.23 ATOM 1410 C SER 90 -5.171 -37.179 24.385 1.00 13.10 ATOM 1411 O SER 90 -5.988 -37.622 23.576 1.00 42.30 ATOM 1412 N LEU 91 -4.298 -36.225 24.082 1.00 41.11 ATOM 1413 HN LEU 91 -3.658 -35.920 24.769 1.00 37.80 ATOM 1414 CA LEU 91 -4.247 -35.629 22.751 1.00 25.41 ATOM 1415 HA LEU 91 -5.238 -35.265 22.505 1.00 52.11 ATOM 1416 CB LEU 91 -3.262 -34.458 22.733 1.00 75.44 ATOM 1417 HB1 LEU 91 -2.805 -34.408 21.753 1.00 37.80 ATOM 1418 HB2 LEU 91 -2.481 -34.670 23.448 1.00 23.24 ATOM 1419 CG LEU 91 -3.849 -33.084 23.057 1.00 5.04 ATOM 1420 HG LEU 91 -4.649 -33.193 23.778 1.00 23.33 ATOM 1421 CD1 LEU 91 -2.790 -32.186 23.678 1.00 11.51 ATOM 1422 HD11 LEU 91 -2.015 -31.978 22.960 1.00 21.12 ATOM 1423 HD12 LEU 91 -2.358 -32.673 24.542 1.00 74.24 ATOM 1424 HD13 LEU 91 -3.247 -31.257 23.988 1.00 31.22 ATOM 1425 CD2 LEU 91 -4.428 -32.442 21.805 1.00 13.14 ATOM 1426 HD21 LEU 91 -4.691 -31.410 22.000 1.00 72.22 ATOM 1427 HD22 LEU 91 -5.313 -32.984 21.504 1.00 54.43 ATOM 1428 HD23 LEU 91 -3.699 -32.488 21.015 1.00 64.34 ATOM 1429 C LEU 91 -3.842 -36.665 21.706 1.00 14.34 ATOM 1430 O LEU 91 -4.280 -36.605 20.557 1.00 2.22 ATOM 1431 N ARG 92 -3.007 -37.614 22.114 1.00 21.44 ATOM 1432 HN ARG 92 -2.667 -37.615 23.035 1.00 37.80 ATOM 1433 CA ARG 92 -2.545 -38.664 21.214 1.00 43.31 ATOM 1434 HA ARG 92 -1.845 -39.276 21.742 1.00 34.23 ATOM 1435 CB ARG 92 -3.722 -39.527 20.756 1.00 24.32 ATOM 1436 HB1 ARG 92 -3.370 -40.218 19.997 1.00 37.80 ATOM 1437 HB2 ARG 92 -4.487 -38.905 20.325 1.00 62.03 ATOM 1438 CG ARG 92 -4.346 -40.348 21.873 1.00 3.31 ATOM 1439 HG1 ARG 92 -4.839 -39.681 22.565 1.00 37.80 ATOM 1440 HG2 ARG 92 -3.569 -40.895 22.389 1.00 24.01 ATOM 1441 CD ARG 92 -5.364 -41.340 21.333 1.00 12.45 ATOM 1442 HD1 ARG 92 -5.694 -41.971 22.145 1.00 37.80 ATOM 1443 HD2 ARG 92 -4.887 -41.951 20.577 1.00 32.34 ATOM 1444 NE ARG 92 -6.525 -40.671 20.753 1.00 52.44 ATOM 1445 HE ARG 92 -6.610 -39.697 20.884 1.00 44.13 ATOM 1446 CZ ARG 92 -7.469 -41.302 20.064 1.00 72.41 ATOM 1447 NH1 ARG 92 -7.390 -42.612 19.872 1.00 41.14 ATOM 1448 HH11 ARG 92 -6.631 -43.148 20.237 1.00 13.51 ATOM 1449 HH12 ARG 92 -8.106 -43.079 19.349 1.00 63.44 ATOM 1450 NH2 ARG 92 -8.495 -40.624 19.566 1.00 35.34 ATOM 1451 HH21 ARG 92 -8.561 -39.634 19.708 1.00 62.14 ATOM 1452 HH22 ARG 92 -9.208 -41.099 19.046 1.00 12.53 ATOM 1453 C ARG 92 -1.836 -38.067 20.002 1.00 52.35 ATOM 1454 O ARG 92 -1.824 -38.659 18.922 1.00 70.42 ATOM 1455 N LEU 93 -1.248 -36.890 20.187 1.00 64.31 ATOM 1456 HN LEU 93 -1.265 -36.481 21.075 1.00 37.80 ATOM 1457 CA LEU 93 -0.537 -36.212 19.108 1.00 1.05 ATOM 1458 HA LEU 93 -1.154 -36.244 18.218 1.00 21.00 ATOM 1459 CB LEU 93 -0.288 -34.748 19.477 1.00 61.32 ATOM 1460 HB1 LEU 93 -1.261 -34.276 19.521 1.00 37.80 ATOM 1461 HB2 LEU 93 0.264 -34.270 18.677 1.00 74.52 ATOM 1462 CG LEU 93 0.427 -34.503 20.806 1.00 65.02 ATOM 1463 HG LEU 93 0.273 -35.333 21.477 1.00 14.53 ATOM 1464 CD1 LEU 93 1.928 -34.378 20.589 1.00 14.24 ATOM 1465 HD11 LEU 93 2.333 -35.359 20.432 1.00 44.11 ATOM 1466 HD12 LEU 93 2.395 -33.944 21.465 1.00 43.04 ATOM 1467 HD13 LEU 93 2.136 -33.756 19.728 1.00 42.42 ATOM 1468 CD2 LEU 93 -0.121 -33.257 21.485 1.00 52.53 ATOM 1469 HD21 LEU 93 0.201 -33.237 22.505 1.00 55.50 ATOM 1470 HD22 LEU 93 -1.193 -33.259 21.452 1.00 15.14 ATOM 1471 HD23 LEU 93 0.243 -32.373 20.979 1.00 21.34 ATOM 1472 C LEU 93 0.788 -36.905 18.809 1.00 62.40 ATOM 1473 O LEU 93 1.131 -37.906 19.437 1.00 61.51 ATOM 1474 N GLU 94 1.529 -36.364 17.847 1.00 63.30 ATOM 1475 HN GLU 94 1.173 -35.595 17.350 1.00 37.80 ATOM 1476 CA GLU 94 2.818 -36.931 17.466 1.00 73.20 ATOM 1477 HA GLU 94 2.688 -38.001 17.338 1.00 10.23 ATOM 1478 CB GLU 94 3.287 -36.340 16.135 1.00 14.51 ATOM 1479 HB1 GLU 94 2.568 -36.617 15.377 1.00 37.80 ATOM 1480 HB2 GLU 94 4.242 -36.772 15.864 1.00 61.33 ATOM 1481 CG GLU 94 3.384 -34.823 16.144 1.00 70.23 ATOM 1482 HG1 GLU 94 2.717 -34.401 16.879 1.00 37.80 ATOM 1483 HG2 GLU 94 3.101 -34.460 15.168 1.00 72.55 ATOM 1484 CD GLU 94 4.787 -34.330 16.439 1.00 22.42 ATOM 1485 OE1 GLU 94 5.045 -33.123 16.250 1.00 32.35 ATOM 1486 OE2 GLU 94 5.628 -35.153 16.860 1.00 52.21 ATOM 1487 C GLU 94 3.865 -36.676 18.546 1.00 41.21 ATOM 1488 O GLU 94 4.049 -35.544 18.994 1.00 10.43 ATOM 1489 N THR 95 4.550 -37.737 18.961 1.00 61.15 ATOM 1490 HN THR 95 4.370 -38.622 18.569 1.00 37.80 ATOM 1491 CA THR 95 5.578 -37.630 19.988 1.00 13.25 ATOM 1492 HA THR 95 5.605 -36.615 20.371 1.00 62.12 ATOM 1493 CB THR 95 5.290 -38.573 21.171 1.00 33.54 ATOM 1494 HB THR 95 6.120 -38.560 21.856 1.00 62.13 ATOM 1495 OG1 THR 95 5.118 -39.914 20.698 1.00 12.00 ATOM 1496 HG1 THR 95 5.314 -40.535 21.405 1.00 31.11 ATOM 1497 CG2 THR 95 4.044 -38.133 21.925 1.00 52.54 ATOM 1498 HG21 THR 95 4.186 -37.133 22.308 1.00 2.13 ATOM 1499 HG22 THR 95 3.865 -38.810 22.748 1.00 13.32 ATOM 1500 HG23 THR 95 3.193 -38.146 21.259 1.00 34.30 ATOM 1501 C THR 95 6.957 -37.949 19.423 1.00 52.33 ATOM 1502 O THR 95 7.090 -38.316 18.255 1.00 2.41 ATOM 1503 N PHE 96 7.981 -37.807 20.258 1.00 71.43 ATOM 1504 HN PHE 96 7.825 -37.492 21.159 1.00 37.80 ATOM 1505 CA PHE 96 9.351 -38.080 19.840 1.00 21.51 ATOM 1506 HA PHE 96 9.337 -38.699 18.951 1.00 24.11 ATOM 1507 CB PHE 96 10.077 -36.774 19.513 1.00 51.15 ATOM 1508 HB1 PHE 96 9.562 -36.292 18.692 1.00 37.80 ATOM 1509 HB2 PHE 96 11.090 -36.991 19.199 1.00 72.22 ATOM 1510 CG PHE 96 10.123 -35.809 20.663 1.00 71.13 ATOM 1511 CD1 PHE 96 9.028 -35.015 20.962 1.00 12.12 ATOM 1512 HD1 PHE 96 8.133 -35.105 20.367 1.00 2.01 ATOM 1513 CD2 PHE 96 11.262 -35.696 21.444 1.00 14.11 ATOM 1514 HD2 PHE 96 12.122 -36.302 21.219 1.00 53.41 ATOM 1515 CE1 PHE 96 9.067 -34.126 22.020 1.00 34.22 ATOM 1516 HE1 PHE 96 8.209 -33.515 22.250 1.00 10.21 ATOM 1517 CE2 PHE 96 11.306 -34.809 22.504 1.00 60.55 ATOM 1518 HE2 PHE 96 12.186 -34.737 23.110 1.00 74.23 ATOM 1519 CZ PHE 96 10.208 -34.023 22.791 1.00 12.22 ATOM 1520 HZ PHE 96 10.241 -33.329 23.618 1.00 50.25 ATOM 1521 C PHE 96 10.110 -38.838 20.926 1.00 73.54 ATOM 1522 O PHE 96 9.567 -39.124 21.993 1.00 1.43 ATOM 1523 N ASP 97 11.367 -39.162 20.644 1.00 71.10 ATOM 1524 HN ASP 97 11.752 -38.914 19.771 1.00 37.80 ATOM 1525 CA ASP 97 12.201 -39.887 21.595 1.00 4.35 ATOM 1526 HA ASP 97 11.554 -40.490 22.229 1.00 44.03 ATOM 1527 CB ASP 97 13.167 -40.814 20.856 1.00 4.13 ATOM 1528 HB1 ASP 97 14.069 -40.957 21.441 1.00 37.80 ATOM 1529 HB2 ASP 97 13.429 -40.371 19.909 1.00 54.13 ATOM 1530 CG ASP 97 12.565 -42.178 20.583 1.00 62.05 ATOM 1531 OD1 ASP 97 12.983 -43.154 21.240 1.00 64.42 ATOM 1532 OD2 ASP 97 11.675 -42.269 19.712 1.00 62.14 ATOM 1533 C ASP 97 12.982 -38.920 22.480 1.00 12.43 ATOM 1534 O ASP 97 13.580 -37.961 21.992 1.00 21.43 ATOM 1535 N ALA 98 12.970 -39.177 23.784 1.00 33.40 ATOM 1536 HN ALA 98 12.472 -39.962 24.117 1.00 37.80 ATOM 1537 CA ALA 98 13.677 -38.331 24.737 1.00 52.43 ATOM 1538 HA ALA 98 13.272 -37.340 24.666 1.00 1.12 ATOM 1539 CB ALA 98 13.462 -38.838 26.155 1.00 72.11 ATOM 1540 HB1 ALA 98 14.007 -38.218 26.853 1.00 2.23 ATOM 1541 HB2 ALA 98 13.813 -39.857 26.230 1.00 12.21 ATOM 1542 HB3 ALA 98 12.409 -38.803 26.392 1.00 41.10 ATOM 1543 C ALA 98 15.166 -38.268 24.415 1.00 2.24 ATOM 1544 O ALA 98 15.839 -37.289 24.737 1.00 62.52 ATOM 1545 N ASN 99 15.675 -39.319 23.780 1.00 14.40 ATOM 1546 HN ASN 99 15.091 -40.072 23.550 1.00 37.80 ATOM 1547 CA ASN 99 17.085 -39.383 23.416 1.00 5.15 ATOM 1548 HA ASN 99 17.674 -39.176 24.300 1.00 33.13 ATOM 1549 CB ASN 99 17.440 -40.782 22.909 1.00 33.34 ATOM 1550 HB1 ASN 99 18.509 -40.922 22.979 1.00 37.80 ATOM 1551 HB2 ASN 99 17.134 -40.887 21.875 1.00 14.13 ATOM 1552 CG ASN 99 16.761 -41.877 23.711 1.00 41.53 ATOM 1553 OD1 ASN 99 15.891 -42.584 23.203 1.00 21.32 ATOM 1554 ND2 ASN 99 17.157 -42.020 24.970 1.00 3.41 ATOM 1555 HD21 ASN 99 17.857 -41.425 25.323 1.00 3.23 ATOM 1556 HD22 ASN 99 16.731 -42.722 25.505 1.00 53.22 ATOM 1557 C ASN 99 17.420 -38.344 22.351 1.00 45.22 ATOM 1558 O ASN 99 18.389 -37.595 22.482 1.00 12.00 ATOM 1559 N ASP 100 16.613 -38.304 21.297 1.00 61.23 ATOM 1560 HN ASP 100 15.856 -38.936 21.244 1.00 37.80 ATOM 1561 CA ASP 100 16.822 -37.356 20.209 1.00 61.04 ATOM 1562 HA ASP 100 17.775 -37.581 19.747 1.00 1.31 ATOM 1563 CB ASP 100 15.713 -37.493 19.164 1.00 65.31 ATOM 1564 HB1 ASP 100 15.787 -36.684 18.447 1.00 37.80 ATOM 1565 HB2 ASP 100 14.755 -37.442 19.658 1.00 31.35 ATOM 1566 CG ASP 100 15.790 -38.805 18.408 1.00 52.14 ATOM 1567 OD1 ASP 100 16.040 -38.770 17.185 1.00 71.52 ATOM 1568 OD2 ASP 100 15.599 -39.866 19.038 1.00 14.03 ATOM 1569 C ASP 100 16.867 -35.925 20.736 1.00 61.22 ATOM 1570 O ASP 100 17.532 -35.061 20.162 1.00 22.53 ATOM 1571 N LEU 101 16.155 -35.681 21.830 1.00 12.21 ATOM 1572 HN LEU 101 15.613 -36.395 22.236 1.00 37.80 ATOM 1573 CA LEU 101 16.112 -34.354 22.435 1.00 42.12 ATOM 1574 HA LEU 101 16.181 -33.616 21.649 1.00 2.44 ATOM 1575 CB LEU 101 14.793 -34.155 23.183 1.00 20.23 ATOM 1576 HB1 LEU 101 14.589 -35.054 23.749 1.00 37.80 ATOM 1577 HB2 LEU 101 14.018 -34.035 22.454 1.00 31.34 ATOM 1578 CG LEU 101 14.741 -32.970 24.148 1.00 32.12 ATOM 1579 HG LEU 101 15.421 -33.144 24.969 1.00 63.42 ATOM 1580 CD1 LEU 101 15.167 -31.691 23.446 1.00 43.54 ATOM 1581 HD11 LEU 101 15.224 -31.830 22.380 1.00 25.25 ATOM 1582 HD12 LEU 101 16.138 -31.395 23.810 1.00 14.13 ATOM 1583 HD13 LEU 101 14.468 -30.906 23.649 1.00 42.11 ATOM 1584 CD2 LEU 101 13.344 -32.819 24.733 1.00 71.52 ATOM 1585 HD21 LEU 101 13.344 -32.041 25.475 1.00 70.42 ATOM 1586 HD22 LEU 101 13.042 -33.748 25.191 1.00 4.23 ATOM 1587 HD23 LEU 101 12.645 -32.567 23.948 1.00 2.42 ATOM 1588 C LEU 101 17.286 -34.152 23.387 1.00 1.35 ATOM 1589 O LEU 101 18.009 -33.159 23.296 1.00 62.41 ATOM 1590 N TYR 102 17.471 -35.099 24.300 1.00 73.32 ATOM 1591 HN TYR 102 16.858 -35.870 24.324 1.00 37.80 ATOM 1592 CA TYR 102 18.557 -35.025 25.270 1.00 71.34 ATOM 1593 HA TYR 102 18.398 -34.148 25.877 1.00 40.10 ATOM 1594 CB TYR 102 18.547 -36.260 26.173 1.00 43.22 ATOM 1595 HB1 TYR 102 18.773 -37.139 25.581 1.00 37.80 ATOM 1596 HB2 TYR 102 17.558 -36.370 26.596 1.00 40.41 ATOM 1597 CG TYR 102 19.529 -36.178 27.320 1.00 34.32 ATOM 1598 CD1 TYR 102 19.391 -35.213 28.310 1.00 2.21 ATOM 1599 HD1 TYR 102 18.564 -34.522 28.257 1.00 20.25 ATOM 1600 CD2 TYR 102 20.593 -37.066 27.414 1.00 5.41 ATOM 1601 HD2 TYR 102 20.718 -37.824 26.653 1.00 25.12 ATOM 1602 CE1 TYR 102 20.286 -35.134 29.360 1.00 14.10 ATOM 1603 HE1 TYR 102 20.176 -34.373 30.112 1.00 3.42 ATOM 1604 CE2 TYR 102 21.492 -36.995 28.461 1.00 32.22 ATOM 1605 HE2 TYR 102 22.315 -37.690 28.509 1.00 31.50 ATOM 1606 CZ TYR 102 21.334 -36.028 29.431 1.00 12.44 ATOM 1607 OH TYR 102 22.227 -35.953 30.475 1.00 24.22 ATOM 1608 HH TYR 102 23.064 -35.595 30.164 1.00 13.24 ATOM 1609 C TYR 102 19.906 -34.905 24.568 1.00 24.02 ATOM 1610 O TYR 102 20.677 -33.984 24.837 1.00 24.42 ATOM 1611 N GLN 103 20.183 -35.842 23.667 1.00 21.22 ATOM 1612 HN GLN 103 19.520 -36.550 23.488 1.00 37.80 ATOM 1613 CA GLN 103 21.439 -35.842 22.926 1.00 1.15 ATOM 1614 HA GLN 103 22.246 -35.632 23.619 1.00 3.34 ATOM 1615 CB GLN 103 21.682 -37.213 22.293 1.00 4.21 ATOM 1616 HB1 GLN 103 22.556 -37.168 21.652 1.00 37.80 ATOM 1617 HB2 GLN 103 20.823 -37.465 21.693 1.00 61.21 ATOM 1618 CG GLN 103 21.882 -38.326 23.309 1.00 15.22 ATOM 1619 HG1 GLN 103 21.736 -39.273 22.809 1.00 37.80 ATOM 1620 HG2 GLN 103 21.145 -38.226 24.095 1.00 64.43 ATOM 1621 CD GLN 103 23.269 -38.317 23.920 1.00 61.12 ATOM 1622 OE1 GLN 103 24.263 -38.099 23.227 1.00 4.41 ATOM 1623 NE2 GLN 103 23.344 -38.555 25.224 1.00 33.20 ATOM 1624 HE21 GLN 103 22.518 -38.724 25.730 1.00 33.30 ATOM 1625 HE22 GLN 103 24.233 -38.552 25.637 1.00 31.45 ATOM 1626 C GLN 103 21.435 -34.764 21.848 1.00 54.22 ATOM 1627 O GLN 103 22.486 -34.369 21.346 1.00 23.02 ATOM 1628 N GLY 104 20.243 -34.291 21.495 1.00 71.31 ATOM 1629 HN GLY 104 19.427 -34.658 21.880 1.00 37.80 ATOM 1630 CA GLY 104 20.124 -33.263 20.477 1.00 20.52 ATOM 1631 HA1 GLY 104 20.808 -32.453 20.698 1.00 37.80 ATOM 1632 HA2 GLY 104 19.115 -32.877 20.494 1.00 72.32 ATOM 1633 C GLY 104 20.418 -33.788 19.086 1.00 73.51 ATOM 1634 O GLY 104 20.875 -33.044 18.219 1.00 15.00 ATOM 1635 N GLN 105 20.157 -35.074 18.873 1.00 75.11 ATOM 1636 HN GLN 105 19.741 -35.607 19.589 1.00 37.80 ATOM 1637 CA GLN 105 20.398 -35.698 17.577 1.00 5.22 ATOM 1638 HA GLN 105 21.416 -35.479 17.279 1.00 63.41 ATOM 1639 CB GLN 105 20.235 -37.215 17.679 1.00 33.25 ATOM 1640 HB1 GLN 105 20.639 -37.660 16.780 1.00 37.80 ATOM 1641 HB2 GLN 105 19.181 -37.458 17.748 1.00 63.43 ATOM 1642 CG GLN 105 20.931 -37.822 18.887 1.00 62.44 ATOM 1643 HG1 GLN 105 20.230 -37.829 19.707 1.00 37.80 ATOM 1644 HG2 GLN 105 21.788 -37.215 19.155 1.00 54.44 ATOM 1645 CD GLN 105 21.388 -39.247 18.641 1.00 3.24 ATOM 1646 OE1 GLN 105 20.589 -40.116 18.291 1.00 44.20 ATOM 1647 NE2 GLN 105 22.680 -39.494 18.824 1.00 21.04 ATOM 1648 HE21 GLN 105 23.276 -38.763 19.105 1.00 15.21 ATOM 1649 HE22 GLN 105 22.994 -40.410 18.670 1.00 73.02 ATOM 1650 C GLN 105 19.450 -35.142 16.520 1.00 30.21 ATOM 1651 O GLN 105 19.885 -34.614 15.498 1.00 4.52 ATOM 1652 N ASN 106 18.151 -35.266 16.773 1.00 22.45 ATOM 1653 HN ASN 106 17.853 -35.697 17.607 1.00 37.80 ATOM 1654 CA ASN 106 17.141 -34.777 15.843 1.00 73.24 ATOM 1655 HA ASN 106 17.630 -34.302 14.998 1.00 71.02 ATOM 1656 CB ASN 106 16.286 -35.938 15.330 1.00 55.44 ATOM 1657 HB1 ASN 106 15.361 -35.553 14.929 1.00 37.80 ATOM 1658 HB2 ASN 106 16.065 -36.606 16.144 1.00 21.25 ATOM 1659 CG ASN 106 16.974 -36.720 14.228 1.00 31.31 ATOM 1660 OD1 ASN 106 17.898 -36.224 13.583 1.00 30.44 ATOM 1661 ND2 ASN 106 16.525 -37.950 14.007 1.00 21.54 ATOM 1662 HD21 ASN 106 15.783 -38.295 14.554 1.00 43.22 ATOM 1663 HD22 ASN 106 16.957 -38.472 13.299 1.00 55.05 ATOM 1664 C ASN 106 16.251 -33.730 16.506 1.00 44.00 ATOM 1665 O ASN 106 15.247 -34.062 17.136 1.00 0.21 ATOM 1666 N PHE 107 16.627 -32.464 16.359 1.00 3.23 ATOM 1667 HN PHE 107 17.438 -32.259 15.833 1.00 37.80 ATOM 1668 CA PHE 107 15.865 -31.367 16.944 1.00 34.22 ATOM 1669 HA PHE 107 15.638 -31.628 17.970 1.00 42.04 ATOM 1670 CB PHE 107 16.690 -30.079 16.929 1.00 11.21 ATOM 1671 HB1 PHE 107 16.883 -29.792 15.902 1.00 37.80 ATOM 1672 HB2 PHE 107 17.633 -30.268 17.423 1.00 55.20 ATOM 1673 CG PHE 107 16.026 -28.933 17.639 1.00 61.45 ATOM 1674 CD1 PHE 107 15.559 -29.081 18.935 1.00 64.02 ATOM 1675 HD1 PHE 107 15.675 -30.029 19.442 1.00 45.14 ATOM 1676 CD2 PHE 107 15.869 -27.709 17.009 1.00 3.15 ATOM 1677 HD2 PHE 107 16.228 -27.578 15.997 1.00 12.41 ATOM 1678 CE1 PHE 107 14.948 -28.029 19.589 1.00 15.24 ATOM 1679 HE1 PHE 107 14.588 -28.157 20.599 1.00 75.42 ATOM 1680 CE2 PHE 107 15.259 -26.653 17.659 1.00 14.23 ATOM 1681 HE2 PHE 107 15.136 -25.710 17.154 1.00 5.43 ATOM 1682 CZ PHE 107 14.798 -26.813 18.951 1.00 0.14 ATOM 1683 HZ PHE 107 14.316 -26.003 19.449 1.00 60.53 ATOM 1684 C PHE 107 14.554 -31.154 16.192 1.00 43.02 ATOM 1685 O PHE 107 13.579 -30.655 16.752 1.00 70.43 ATOM 1686 N ASN 108 14.541 -31.535 14.919 1.00 62.24 ATOM 1687 HN ASN 108 15.373 -31.846 14.514 1.00 37.80 ATOM 1688 CA ASN 108 13.352 -31.385 14.088 1.00 31.10 ATOM 1689 HA ASN 108 13.155 -30.329 13.975 1.00 24.21 ATOM 1690 CB ASN 108 13.590 -31.995 12.705 1.00 12.02 ATOM 1691 HB1 ASN 108 14.171 -31.300 12.115 1.00 37.80 ATOM 1692 HB2 ASN 108 12.643 -32.166 12.208 1.00 60.34 ATOM 1693 CG ASN 108 14.338 -33.312 12.775 1.00 34.52 ATOM 1694 OD1 ASN 108 13.741 -34.366 12.998 1.00 25.23 ATOM 1695 ND2 ASN 108 15.651 -33.258 12.585 1.00 73.13 ATOM 1696 HD21 ASN 108 16.075 -32.387 12.411 1.00 70.40 ATOM 1697 HD22 ASN 108 16.152 -34.099 12.626 1.00 73.21 ATOM 1698 C ASN 108 12.143 -32.043 14.745 1.00 33.53 ATOM 1699 O ASN 108 11.056 -31.466 14.793 1.00 5.21 ATOM 1700 N LYS 109 12.339 -33.256 15.252 1.00 72.11 ATOM 1701 HN LYS 109 13.238 -33.654 15.214 1.00 37.80 ATOM 1702 CA LYS 109 11.266 -33.994 15.909 1.00 64.04 ATOM 1703 HA LYS 109 10.423 -34.043 15.232 1.00 14.33 ATOM 1704 CB LYS 109 11.722 -35.420 16.228 1.00 11.44 ATOM 1705 HB1 LYS 109 10.866 -35.979 16.584 1.00 37.80 ATOM 1706 HB2 LYS 109 12.471 -35.387 17.009 1.00 30.12 ATOM 1707 CG LYS 109 12.321 -36.148 15.038 1.00 61.10 ATOM 1708 HG1 LYS 109 13.337 -35.825 14.908 1.00 37.80 ATOM 1709 HG2 LYS 109 11.751 -35.915 14.148 1.00 32.15 ATOM 1710 CD LYS 109 12.303 -37.654 15.239 1.00 22.12 ATOM 1711 HD1 LYS 109 12.717 -38.127 14.361 1.00 37.80 ATOM 1712 HD2 LYS 109 11.283 -37.982 15.378 1.00 10.51 ATOM 1713 CE LYS 109 13.124 -38.064 16.452 1.00 31.23 ATOM 1714 HE1 LYS 109 12.597 -37.766 17.347 1.00 37.80 ATOM 1715 HE2 LYS 109 14.082 -37.566 16.417 1.00 24.33 ATOM 1716 NZ LYS 109 13.351 -39.535 16.497 1.00 61.22 ATOM 1717 HZ1 LYS 109 13.502 -39.841 17.478 1.00 0.25 ATOM 1718 HZ2 LYS 109 14.191 -39.784 15.938 1.00 1.30 ATOM 1719 HZ3 LYS 109 12.529 -40.053 16.114 1.00 23.24 ATOM 1720 C LYS 109 10.826 -33.290 17.189 1.00 63.55 ATOM 1721 O LYS 109 9.634 -33.202 17.482 1.00 71.13 ATOM 1722 N VAL 110 11.797 -32.790 17.947 1.00 55.11 ATOM 1723 HN VAL 110 12.727 -32.863 17.639 1.00 37.80 ATOM 1724 CA VAL 110 11.509 -32.092 19.194 1.00 12.31 ATOM 1725 HA VAL 110 10.932 -32.758 19.826 1.00 44.43 ATOM 1726 CB VAL 110 12.804 -31.718 19.940 1.00 73.21 ATOM 1727 HB VAL 110 13.333 -30.968 19.366 1.00 51.21 ATOM 1728 CG1 VAL 110 12.483 -31.131 21.306 1.00 50.43 ATOM 1729 HG11 VAL 110 12.042 -31.889 21.937 1.00 34.14 ATOM 1730 HG12 VAL 110 11.796 -30.304 21.208 1.00 73.02 ATOM 1731 HG13 VAL 110 13.387 -30.772 21.756 1.00 54.25 ATOM 1732 CG2 VAL 110 13.711 -32.932 20.072 1.00 32.33 ATOM 1733 HG21 VAL 110 13.172 -33.740 20.546 1.00 51.03 ATOM 1734 HG22 VAL 110 14.571 -32.679 20.663 1.00 1.21 ATOM 1735 HG23 VAL 110 14.042 -33.249 19.101 1.00 12.30 ATOM 1736 C VAL 110 10.698 -30.826 18.941 1.00 41.33 ATOM 1737 O VAL 110 9.720 -30.552 19.637 1.00 35.10 ATOM 1738 N LEU 111 11.111 -30.056 17.940 1.00 73.24 ATOM 1739 HN LEU 111 11.903 -30.325 17.419 1.00 37.80 ATOM 1740 CA LEU 111 10.422 -28.818 17.593 1.00 43.33 ATOM 1741 HA LEU 111 10.378 -28.201 18.483 1.00 55.02 ATOM 1742 CB LEU 111 11.193 -28.071 16.502 1.00 34.30 ATOM 1743 HB1 LEU 111 10.837 -28.414 15.536 1.00 37.80 ATOM 1744 HB2 LEU 111 12.241 -28.342 16.577 1.00 23.52 ATOM 1745 CG LEU 111 11.096 -26.546 16.537 1.00 40.45 ATOM 1746 HG LEU 111 10.069 -26.257 16.712 1.00 70.20 ATOM 1747 CD1 LEU 111 11.940 -25.983 17.670 1.00 54.22 ATOM 1748 HD11 LEU 111 12.162 -26.757 18.392 1.00 72.52 ATOM 1749 HD12 LEU 111 11.384 -25.208 18.166 1.00 75.55 ATOM 1750 HD13 LEU 111 12.861 -25.571 17.290 1.00 4.41 ATOM 1751 CD2 LEU 111 11.528 -25.954 15.203 1.00 51.41 ATOM 1752 HD21 LEU 111 10.898 -26.342 14.414 1.00 73.24 ATOM 1753 HD22 LEU 111 12.557 -26.219 15.002 1.00 60.00 ATOM 1754 HD23 LEU 111 11.436 -24.884 15.234 1.00 74.01 ATOM 1755 C LEU 111 8.998 -29.099 17.124 1.00 65.04 ATOM 1756 O LEU 111 8.049 -28.456 17.570 1.00 53.30 ATOM 1757 N SER 112 8.858 -30.066 16.222 1.00 11.23 ATOM 1758 HN SER 112 9.659 -30.543 15.895 1.00 37.80 ATOM 1759 CA SER 112 7.550 -30.432 15.691 1.00 0.25 ATOM 1760 HA SER 112 7.168 -29.589 15.134 1.00 25.44 ATOM 1761 CB SER 112 7.676 -31.631 14.750 1.00 53.02 ATOM 1762 HB1 SER 112 8.143 -32.451 15.276 1.00 37.80 ATOM 1763 HB2 SER 112 8.284 -31.357 13.900 1.00 30.32 ATOM 1764 OG SER 112 6.404 -32.051 14.287 1.00 60.23 ATOM 1765 HG SER 112 6.119 -31.484 13.566 1.00 72.13 ATOM 1766 C SER 112 6.577 -30.757 16.821 1.00 61.23 ATOM 1767 O SER 112 5.417 -30.346 16.793 1.00 2.14 ATOM 1768 N SER 113 7.059 -31.499 17.813 1.00 52.10 ATOM 1769 HN SER 113 7.994 -31.811 17.776 1.00 37.80 ATOM 1770 CA SER 113 6.232 -31.884 18.951 1.00 52.23 ATOM 1771 HA SER 113 5.440 -32.523 18.591 1.00 72.41 ATOM 1772 CB SER 113 7.064 -32.659 19.974 1.00 72.52 ATOM 1773 HB1 SER 113 7.572 -31.976 20.644 1.00 37.80 ATOM 1774 HB2 SER 113 7.798 -33.244 19.446 1.00 33.50 ATOM 1775 OG SER 113 6.249 -33.532 20.738 1.00 41.25 ATOM 1776 HG SER 113 6.060 -34.326 20.231 1.00 40.25 ATOM 1777 C SER 113 5.610 -30.657 19.610 1.00 55.42 ATOM 1778 O SER 113 4.398 -30.599 19.822 1.00 14.41 ATOM 1779 N LEU 114 6.447 -29.677 19.931 1.00 23.15 ATOM 1780 HN LEU 114 7.400 -29.773 19.703 1.00 37.80 ATOM 1781 CA LEU 114 5.981 -28.449 20.567 1.00 62.42 ATOM 1782 HA LEU 114 5.413 -28.717 21.448 1.00 3.23 ATOM 1783 CB LEU 114 7.172 -27.588 20.992 1.00 53.15 ATOM 1784 HB1 LEU 114 6.802 -26.781 21.601 1.00 37.80 ATOM 1785 HB2 LEU 114 7.619 -27.162 20.100 1.00 71.24 ATOM 1786 CG LEU 114 8.278 -28.306 21.765 1.00 61.33 ATOM 1787 HG LEU 114 8.757 -29.018 21.122 1.00 11.14 ATOM 1788 CD1 LEU 114 9.337 -27.316 22.224 1.00 23.53 ATOM 1789 HD11 LEU 114 9.845 -26.914 21.364 1.00 72.15 ATOM 1790 HD12 LEU 114 10.049 -27.822 22.846 1.00 63.40 ATOM 1791 HD13 LEU 114 8.878 -26.512 22.783 1.00 22.41 ATOM 1792 CD2 LEU 114 7.697 -29.058 22.953 1.00 14.02 ATOM 1793 HD21 LEU 114 7.023 -29.828 22.606 1.00 44.20 ATOM 1794 HD22 LEU 114 7.160 -28.372 23.593 1.00 63.21 ATOM 1795 HD23 LEU 114 8.497 -29.519 23.517 1.00 62.41 ATOM 1796 C LEU 114 5.077 -27.659 19.627 1.00 73.24 ATOM 1797 O LEU 114 4.125 -27.011 20.063 1.00 42.05 ATOM 1798 N VAL 115 5.379 -27.719 18.334 1.00 70.35 ATOM 1799 HN VAL 115 6.158 -28.245 18.038 1.00 37.80 ATOM 1800 CA VAL 115 4.592 -27.012 17.331 1.00 74.23 ATOM 1801 HA VAL 115 4.475 -25.982 17.652 1.00 54.52 ATOM 1802 CB VAL 115 5.296 -27.012 15.961 1.00 24.31 ATOM 1803 HB VAL 115 5.424 -28.037 15.640 1.00 31.01 ATOM 1804 CG1 VAL 115 4.448 -26.292 14.924 1.00 64.01 ATOM 1805 HG11 VAL 115 5.022 -26.155 14.016 1.00 34.45 ATOM 1806 HG12 VAL 115 4.145 -25.325 15.301 1.00 14.10 ATOM 1807 HG13 VAL 115 3.571 -26.879 14.694 1.00 2.25 ATOM 1808 CG2 VAL 115 6.674 -26.376 16.071 1.00 14.21 ATOM 1809 HG21 VAL 115 7.361 -26.914 15.436 1.00 33.44 ATOM 1810 HG22 VAL 115 7.037 -26.402 17.087 1.00 63.35 ATOM 1811 HG23 VAL 115 6.637 -25.343 15.747 1.00 44.13 ATOM 1812 C VAL 115 3.209 -27.635 17.178 1.00 35.23 ATOM 1813 O VAL 115 2.250 -26.962 16.796 1.00 22.55 ATOM 1814 N THR 116 3.111 -28.926 17.480 1.00 75.31 ATOM 1815 HN THR 116 3.906 -29.424 17.776 1.00 37.80 ATOM 1816 CA THR 116 1.845 -29.642 17.376 1.00 11.51 ATOM 1817 HA THR 116 1.305 -29.266 16.513 1.00 40.30 ATOM 1818 CB THR 116 2.068 -31.152 17.174 1.00 63.13 ATOM 1819 HB THR 116 2.633 -31.536 18.013 1.00 5.10 ATOM 1820 OG1 THR 116 2.810 -31.381 15.970 1.00 13.32 ATOM 1821 HG1 THR 116 3.745 -31.236 16.135 1.00 52.40 ATOM 1822 CG2 THR 116 0.740 -31.891 17.105 1.00 23.13 ATOM 1823 HG21 THR 116 0.311 -31.968 18.093 1.00 55.13 ATOM 1824 HG22 THR 116 0.908 -32.884 16.714 1.00 21.22 ATOM 1825 HG23 THR 116 0.054 -31.365 16.453 1.00 62.41 ATOM 1826 C THR 116 0.989 -29.428 18.619 1.00 22.15 ATOM 1827 O THR 116 -0.206 -29.145 18.522 1.00 23.13 ATOM 1828 N LEU 117 1.607 -29.565 19.788 1.00 50.55 ATOM 1829 HN LEU 117 2.565 -29.805 19.804 1.00 37.80 ATOM 1830 CA LEU 117 0.901 -29.386 21.052 1.00 43.42 ATOM 1831 HA LEU 117 0.180 -30.179 21.145 1.00 13.34 ATOM 1832 CB LEU 117 1.881 -29.478 22.223 1.00 41.42 ATOM 1833 HB1 LEU 117 2.757 -28.895 21.967 1.00 37.80 ATOM 1834 HB2 LEU 117 2.182 -30.513 22.327 1.00 35.53 ATOM 1835 CG LEU 117 1.360 -28.986 23.574 1.00 45.22 ATOM 1836 HG LEU 117 1.046 -27.957 23.493 1.00 53.32 ATOM 1837 CD1 LEU 117 0.156 -29.805 24.012 1.00 4.21 ATOM 1838 HD11 LEU 117 0.148 -29.926 25.089 1.00 72.32 ATOM 1839 HD12 LEU 117 0.169 -30.778 23.544 1.00 22.40 ATOM 1840 HD13 LEU 117 -0.741 -29.293 23.716 1.00 23.34 ATOM 1841 CD2 LEU 117 2.460 -29.047 24.624 1.00 64.23 ATOM 1842 HD21 LEU 117 2.444 -30.002 25.127 1.00 10.43 ATOM 1843 HD22 LEU 117 2.278 -28.271 25.338 1.00 15.33 ATOM 1844 HD23 LEU 117 3.430 -28.894 24.168 1.00 21.23 ATOM 1845 C LEU 117 0.176 -28.044 21.085 1.00 33.32 ATOM 1846 O LEU 117 -0.874 -27.911 21.713 1.00 5.34 ATOM 1847 N ASN 118 0.742 -27.054 20.403 1.00 74.01 ATOM 1848 HN ASN 118 1.601 -27.199 19.945 1.00 37.80 ATOM 1849 CA ASN 118 0.147 -25.723 20.353 1.00 25.01 ATOM 1850 HA ASN 118 -0.216 -25.471 21.342 1.00 13.44 ATOM 1851 CB ASN 118 1.197 -24.688 19.941 1.00 32.54 ATOM 1852 HB1 ASN 118 1.697 -25.037 19.049 1.00 37.80 ATOM 1853 HB2 ASN 118 1.922 -24.577 20.724 1.00 44.52 ATOM 1854 CG ASN 118 0.586 -23.334 19.640 1.00 11.42 ATOM 1855 OD1 ASN 118 0.296 -23.014 18.487 1.00 14.44 ATOM 1856 ND2 ASN 118 0.388 -22.530 20.679 1.00 41.13 ATOM 1857 HD21 ASN 118 0.616 -22.844 21.552 1.00 72.44 ATOM 1858 HD22 ASN 118 0.013 -21.641 20.507 1.00 71.34 ATOM 1859 C ASN 118 -1.027 -25.688 19.380 1.00 10.40 ATOM 1860 O ASN 118 -2.082 -25.129 19.682 1.00 2.03 ATOM 1861 N LYS 119 -0.837 -26.288 18.210 1.00 33.32 ATOM 1862 HN LYS 119 0.033 -26.713 18.019 1.00 37.80 ATOM 1863 CA LYS 119 -1.880 -26.328 17.192 1.00 72.30 ATOM 1864 HA LYS 119 -2.213 -25.313 17.008 1.00 51.31 ATOM 1865 CB LYS 119 -1.331 -26.922 15.893 1.00 43.22 ATOM 1866 HB1 LYS 119 -2.149 -27.326 15.306 1.00 37.80 ATOM 1867 HB2 LYS 119 -0.655 -27.731 16.142 1.00 22.43 ATOM 1868 CG LYS 119 -0.599 -25.913 15.025 1.00 52.33 ATOM 1869 HG1 LYS 119 -0.102 -25.187 15.657 1.00 37.80 ATOM 1870 HG2 LYS 119 -1.316 -25.406 14.395 1.00 42.14 ATOM 1871 CD LYS 119 0.446 -26.584 14.150 1.00 5.10 ATOM 1872 HD1 LYS 119 1.125 -27.146 14.768 1.00 37.80 ATOM 1873 HD2 LYS 119 0.994 -25.821 13.618 1.00 50.51 ATOM 1874 CE LYS 119 -0.192 -27.527 13.142 1.00 32.11 ATOM 1875 HE1 LYS 119 -1.132 -27.111 12.800 1.00 37.80 ATOM 1876 HE2 LYS 119 -0.375 -28.476 13.623 1.00 62.42 ATOM 1877 NZ LYS 119 0.684 -27.750 11.959 1.00 72.03 ATOM 1878 HZ1 LYS 119 1.591 -28.169 12.254 1.00 2.11 ATOM 1879 HZ2 LYS 119 0.872 -26.849 11.472 1.00 62.11 ATOM 1880 HZ3 LYS 119 0.219 -28.398 11.291 1.00 73.04 ATOM 1881 C LYS 119 -3.077 -27.145 17.670 1.00 5.22 ATOM 1882 O LYS 119 -4.211 -26.666 17.663 1.00 44.21 ATOM 1883 N VAL 120 -2.816 -28.380 18.087 1.00 2.21 ATOM 1884 HN VAL 120 -1.891 -28.712 18.041 1.00 37.80 ATOM 1885 CA VAL 120 -3.871 -29.262 18.571 1.00 1.14 ATOM 1886 HA VAL 120 -4.521 -29.498 17.738 1.00 74.14 ATOM 1887 CB VAL 120 -3.292 -30.576 19.129 1.00 10.45 ATOM 1888 HB VAL 120 -4.102 -31.158 19.526 1.00 22.42 ATOM 1889 CG1 VAL 120 -2.643 -31.387 18.019 1.00 23.41 ATOM 1890 HG11 VAL 120 -1.820 -30.833 17.592 1.00 44.24 ATOM 1891 HG12 VAL 120 -3.372 -31.595 17.249 1.00 2.42 ATOM 1892 HG13 VAL 120 -2.276 -32.321 18.421 1.00 1.54 ATOM 1893 CG2 VAL 120 -2.296 -30.288 20.243 1.00 53.00 ATOM 1894 HG21 VAL 120 -2.838 -30.009 21.132 1.00 2.15 ATOM 1895 HG22 VAL 120 -1.650 -29.494 19.972 1.00 11.52 ATOM 1896 HG23 VAL 120 -1.710 -31.172 20.457 1.00 32.11 ATOM 1897 C VAL 120 -4.700 -28.583 19.656 1.00 23.22 ATOM 1898 O VAL 120 -5.894 -28.848 19.799 1.00 61.42 ATOM 1899 N THR 121 -4.058 -27.704 20.420 1.00 35.45 ATOM 1900 HN THR 121 -3.095 -27.548 20.293 1.00 37.80 ATOM 1901 CA THR 121 -4.736 -26.987 21.493 1.00 25.35 ATOM 1902 HA THR 121 -5.518 -27.621 21.901 1.00 2.44 ATOM 1903 CB THR 121 -3.762 -26.633 22.634 1.00 54.13 ATOM 1904 HB THR 121 -4.263 -25.981 23.340 1.00 52.01 ATOM 1905 OG1 THR 121 -2.616 -25.956 22.107 1.00 41.13 ATOM 1906 HG1 THR 121 -2.827 -25.030 21.963 1.00 12.30 ATOM 1907 CG2 THR 121 -3.321 -27.885 23.377 1.00 11.42 ATOM 1908 HG21 THR 121 -3.850 -27.945 24.317 1.00 22.04 ATOM 1909 HG22 THR 121 -2.273 -27.842 23.565 1.00 44.11 ATOM 1910 HG23 THR 121 -3.536 -28.771 22.795 1.00 4.41 ATOM 1911 C THR 121 -5.382 -25.707 20.977 1.00 75.43 ATOM 1912 O THR 121 -6.361 -25.222 21.544 1.00 22.42 ATOM 1913 N ALA 122 -4.830 -25.165 19.896 1.00 33.32 ATOM 1914 HN ALA 122 -4.022 -25.560 19.514 1.00 37.80 ATOM 1915 CA ALA 122 -5.356 -23.943 19.301 1.00 1.24 ATOM 1916 HA ALA 122 -5.270 -23.149 20.031 1.00 42.13 ATOM 1917 CB ALA 122 -4.532 -23.552 18.084 1.00 41.25 ATOM 1918 HB1 ALA 122 -3.489 -23.504 18.359 1.00 51.22 ATOM 1919 HB2 ALA 122 -4.853 -22.584 17.728 1.00 72.32 ATOM 1920 HB3 ALA 122 -4.662 -24.284 17.300 1.00 11.14 ATOM 1921 C ALA 122 -6.823 -24.105 18.920 1.00 54.13 ATOM 1922 O ALA 122 -7.595 -23.147 18.962 1.00 11.41 ATOM 1923 N ASP 123 -7.202 -25.322 18.547 1.00 63.43 ATOM 1924 HN ASP 123 -6.541 -26.051 18.511 1.00 37.80 ATOM 1925 CA ASP 123 -8.577 -25.610 18.158 1.00 54.14 ATOM 1926 HA ASP 123 -8.890 -24.847 17.453 1.00 10.15 ATOM 1927 CB ASP 123 -8.664 -26.980 17.484 1.00 23.41 ATOM 1928 HB1 ASP 123 -8.703 -27.761 18.234 1.00 37.80 ATOM 1929 HB2 ASP 123 -7.785 -27.128 16.872 1.00 41.21 ATOM 1930 CG ASP 123 -9.879 -27.109 16.587 1.00 33.34 ATOM 1931 OD1 ASP 123 -10.617 -28.107 16.728 1.00 73.25 ATOM 1932 OD2 ASP 123 -10.093 -26.212 15.746 1.00 11.10 ATOM 1933 C ASP 123 -9.505 -25.565 19.368 1.00 51.22 ATOM 1934 O ASP 123 -10.676 -25.203 19.251 1.00 74.01 ATOM 1935 N ILE 124 -8.974 -25.935 20.528 1.00 31.11 ATOM 1936 HN ILE 124 -8.031 -26.200 20.564 1.00 37.80 ATOM 1937 CA ILE 124 -9.755 -25.937 21.759 1.00 4.31 ATOM 1938 HA ILE 124 -10.644 -26.536 21.594 1.00 40.32 ATOM 1939 CB ILE 124 -8.964 -26.557 22.926 1.00 1.43 ATOM 1940 HB ILE 124 -8.103 -25.934 23.127 1.00 22.23 ATOM 1941 CG1 ILE 124 -8.486 -27.963 22.557 1.00 0.44 ATOM 1942 HG11 ILE 124 -7.928 -27.933 21.634 1.00 37.80 ATOM 1943 HG12 ILE 124 -9.340 -28.611 22.429 1.00 55.55 ATOM 1944 CG2 ILE 124 -9.819 -26.595 24.184 1.00 10.00 ATOM 1945 HG21 ILE 124 -9.262 -27.040 24.995 1.00 63.22 ATOM 1946 HG22 ILE 124 -10.709 -27.180 24.002 1.00 73.20 ATOM 1947 HG23 ILE 124 -10.104 -25.594 24.471 1.00 72.51 ATOM 1948 CD1 ILE 124 -7.586 -28.588 23.600 1.00 14.03 ATOM 1949 HD11 ILE 124 -8.159 -28.812 24.486 1.00 5.40 ATOM 1950 HD12 ILE 124 -6.787 -27.904 23.850 1.00 10.21 ATOM 1951 HD13 ILE 124 -7.165 -29.501 23.207 1.00 64.11 ATOM 1952 C ILE 124 -10.180 -24.523 22.142 1.00 72.40 ATOM 1953 O ILE 124 -11.267 -24.315 22.679 1.00 32.11 ATOM 1954 N GLY 125 -9.315 -23.554 21.860 1.00 52.42 ATOM 1955 HN GLY 125 -8.448 -23.763 21.447 1.00 37.80 ATOM 1956 CA GLY 125 -9.620 -22.171 22.180 1.00 71.41 ATOM 1957 HA1 GLY 125 -10.672 -21.978 22.005 1.00 37.80 ATOM 1958 HA2 GLY 125 -9.042 -21.532 21.527 1.00 41.11 ATOM 1959 C GLY 125 -9.292 -21.823 23.618 1.00 30.43 ATOM 1960 O GLY 125 -10.172 -21.818 24.480 1.00 72.20 ATOM 1961 N LEU 126 -8.022 -21.534 23.880 1.00 14.53 ATOM 1962 HN LEU 126 -7.361 -21.559 23.147 1.00 37.80 ATOM 1963 HA LEU 126 -7.715 -22.052 25.857 1.00 14.12 ATOM 1964 CB LEU 126 -6.098 -20.802 25.213 1.00 71.13 ATOM 1965 HB1 LEU 126 -5.872 -20.239 26.114 1.00 37.80 ATOM 1966 HB2 LEU 126 -5.945 -20.142 24.367 1.00 21.41 ATOM 1967 CG LEU 126 -5.107 -21.962 25.112 1.00 4.24 ATOM 1968 HG LEU 126 -5.509 -22.724 24.457 1.00 43.41 ATOM 1969 CD1 LEU 126 -3.790 -21.489 24.516 1.00 11.50 ATOM 1970 HD11 LEU 126 -3.966 -21.072 23.534 1.00 73.02 ATOM 1971 HD12 LEU 126 -3.110 -22.325 24.430 1.00 34.23 ATOM 1972 HD13 LEU 126 -3.351 -20.733 25.153 1.00 32.44 ATOM 1973 CD2 LEU 126 -4.880 -22.589 26.480 1.00 24.31 ATOM 1974 HD21 LEU 126 -5.821 -22.945 26.876 1.00 14.31 ATOM 1975 HD22 LEU 126 -4.462 -21.854 27.154 1.00 43.20 ATOM 1976 HD23 LEU 126 -4.196 -23.422 26.388 1.00 14.33 ATOM 1977 CA LEU 126 -7.579 -21.184 25.226 1.00 72.24 ATOM 1978 C LEU 126 -8.408 -20.035 25.791 1.00 43.04 ATOM 1979 OT1 LEU 126 -8.480 -18.973 25.134 1.00 37.80 ATOM 1980 OT2 LEU 126 -8.982 -20.204 26.888 1.00 37.80 ATOM 1981 OH2 TIP3 1 -9.708 -45.920 13.758 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.619 -44.976 13.626 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -10.347 -46.195 13.100 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -10.775 -46.665 17.177 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -10.813 -47.311 17.882 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -11.098 -47.131 16.406 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.069 -43.726 15.479 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.510 -44.446 15.929 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.082 -43.005 16.109 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -9.958 -38.621 15.691 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.338 -39.298 15.418 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.166 -38.839 16.599 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -12.386 -44.232 17.583 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.082 -44.918 16.989 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -11.664 -44.114 18.201 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -9.245 -49.838 17.911 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -9.102 -50.785 17.931 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.351 -49.631 16.982 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -9.911 -43.319 12.801 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -10.207 -43.641 11.950 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -10.235 -42.419 12.843 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -14.711 -45.143 19.545 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -15.451 -44.545 19.648 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -13.997 -44.589 19.229 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -8.305 -40.105 14.452 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.880 -40.812 13.967 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.988 -39.304 14.035 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.146 -42.204 12.961 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -7.403 -42.894 12.349 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -7.075 -42.647 13.806 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -3.618 -47.298 19.504 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -4.270 -46.603 19.593 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -3.153 -47.088 18.694 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.684 -48.292 21.230 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.604 -47.529 21.802 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.285 -48.013 20.539 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -14.569 -42.408 16.726 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -14.664 -42.986 15.969 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -13.840 -42.779 17.222 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -14.689 -42.668 22.395 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -15.001 -41.886 22.851 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -15.339 -42.821 21.709 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -10.984 -40.567 13.282 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -10.510 -40.272 14.060 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -11.547 -39.829 13.049 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -11.926 -41.383 21.891 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -11.839 -40.557 22.366 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -12.790 -41.713 22.140 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -5.753 -49.464 23.495 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -6.160 -48.983 22.775 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -5.712 -50.369 23.188 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -10.093 -47.923 19.797 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -9.769 -48.554 19.154 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -10.533 -48.458 20.458 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -11.305 -44.423 21.804 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -11.651 -44.804 22.610 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.505 -43.489 21.875 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.868 -46.122 17.608 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -8.796 -46.354 17.581 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.417 -46.899 17.278 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -13.383 -39.982 19.632 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -13.020 -39.127 19.399 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -12.851 -40.274 20.373 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -6.997 -48.333 16.147 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -7.794 -48.748 15.818 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -6.552 -49.024 16.638 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -9.022 -41.107 24.346 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -9.373 -41.963 24.589 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -8.296 -40.964 24.953 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -13.634 -44.626 24.384 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -13.962 -44.355 23.526 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -13.482 -45.567 24.296 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -10.490 -45.916 25.023 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -9.537 -45.832 24.995 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -10.650 -46.627 25.642 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -13.176 -47.223 20.560 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -12.425 -47.379 19.987 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -13.515 -46.371 20.284 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.444 -46.619 23.666 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -7.725 -45.910 23.088 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -6.501 -46.692 23.515 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -3.726 -43.975 17.844 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.892 -44.353 17.563 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -3.614 -43.032 17.725 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -4.842 -46.269 23.098 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -4.259 -47.003 23.289 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -4.278 -45.497 23.144 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.345 -48.366 23.782 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.208 -48.745 23.617 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -2.741 -49.105 23.708 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.347 -49.338 20.133 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.190 -49.070 20.499 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.904 -48.516 19.922 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -6.456 -38.337 13.570 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.803 -38.684 12.962 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -5.945 -37.848 14.216 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -16.117 -40.433 20.372 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -16.542 -39.624 20.089 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -15.212 -40.348 20.070 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.806 -39.034 23.331 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -11.621 -39.368 24.209 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -10.959 -38.725 23.009 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -11.537 -37.689 18.625 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -11.994 -37.160 17.971 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -11.374 -37.086 19.350 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -14.622 -39.374 16.833 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -14.409 -40.262 16.546 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -14.557 -39.408 17.788 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -4.476 -38.557 11.578 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -4.670 -39.305 11.013 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -4.515 -37.799 10.994 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.958 -38.621 34.547 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.338 -39.298 34.274 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -10.166 -38.839 35.455 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -6.557 -41.886 36.683 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.499 -41.828 36.844 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.281 -40.980 36.546 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -8.305 -40.105 33.308 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -7.880 -40.812 32.823 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -7.988 -39.304 32.891 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -7.146 -42.204 31.817 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -7.403 -42.894 31.205 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -7.075 -42.647 32.662 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -5.460 -43.638 40.294 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.320 -44.229 39.555 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -5.292 -42.765 39.938 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -3.618 -47.298 38.360 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -4.270 -46.603 38.449 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -3.153 -47.088 37.550 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -11.512 -37.611 30.553 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -11.587 -37.732 29.607 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -11.479 -36.661 30.672 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -8.741 -38.531 30.305 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -9.676 -38.431 30.484 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -8.461 -39.240 30.883 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.233 -46.271 26.333 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -7.191 -46.494 25.403 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -6.384 -45.873 26.523 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.623 -37.089 42.978 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.423 -36.665 42.143 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -4.967 -36.746 43.585 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.675 -45.474 38.209 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -5.033 -45.017 37.666 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.505 -45.361 37.747 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -10.699 -43.148 28.448 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -10.994 -42.322 28.830 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -11.402 -43.768 28.644 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -3.360 -43.916 41.814 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.212 -43.678 41.447 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -2.770 -43.933 41.061 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -7.636 -42.954 27.263 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.283 -43.334 28.067 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -8.585 -43.047 27.349 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.180 -39.331 40.658 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.782 -39.886 40.163 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.899 -38.664 40.032 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -6.770 -44.281 29.489 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -7.047 -45.009 30.045 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -5.843 -44.162 29.695 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -11.870 -40.574 28.915 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -12.687 -40.077 28.968 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -11.341 -40.099 28.275 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -5.910 -39.077 36.625 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -6.066 -38.399 35.968 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -4.978 -39.005 36.828 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -11.507 -39.979 25.848 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -12.151 -40.610 26.170 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -10.745 -40.510 25.616 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -10.596 -43.205 25.675 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -10.864 -43.025 26.576 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -10.802 -44.131 25.544 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -4.338 -45.682 25.953 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -4.611 -46.107 25.140 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -4.298 -44.751 25.736 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -13.830 -37.346 27.509 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -12.897 -37.188 27.653 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -14.094 -36.671 26.884 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.631 -38.860 39.776 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -4.118 -39.595 39.405 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.082 -39.253 40.454 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -5.180 -43.070 44.414 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -6.046 -43.175 44.808 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -4.804 -42.311 44.861 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -3.879 -44.813 29.928 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.029 -44.392 30.056 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -3.874 -45.553 30.536 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.485 -46.760 31.752 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -4.211 -47.239 32.150 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.904 -46.554 32.484 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -3.726 -43.975 36.700 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -2.892 -44.353 36.419 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.614 -43.032 36.581 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -5.239 -41.097 39.007 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -5.887 -40.772 39.632 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -5.757 -41.537 38.332 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -3.217 -46.859 28.143 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -3.738 -46.502 27.424 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -3.250 -46.184 28.821 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -4.842 -46.269 41.954 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -4.259 -47.003 42.145 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -4.278 -45.497 42.000 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -6.456 -38.337 32.426 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.803 -38.684 31.818 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -5.945 -37.848 33.072 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -9.210 -38.811 38.426 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -10.114 -38.646 38.160 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -8.781 -37.958 38.360 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -6.605 -37.241 38.721 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -6.787 -36.325 38.510 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -6.429 -37.651 37.874 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -11.185 -38.120 27.754 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -10.319 -37.754 27.576 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -11.432 -38.560 26.941 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.258 -39.806 42.584 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -6.040 -39.992 42.064 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -5.330 -38.877 42.801 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.822 -41.188 45.749 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -3.749 -40.249 45.919 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -2.917 -41.493 45.692 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -3.132 -38.474 46.320 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -2.389 -37.888 46.180 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -3.827 -37.906 46.653 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -6.903 -40.162 44.938 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -6.620 -40.956 45.391 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -6.163 -39.929 44.377 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.338 -45.682 44.809 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -4.611 -46.107 43.996 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.298 -44.751 44.592 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -17.483 -23.744 17.305 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -17.853 -24.546 16.936 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -16.542 -23.913 17.352 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -9.958 -19.765 15.691 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -9.338 -20.442 15.418 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -10.166 -19.983 16.599 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -16.090 -32.881 15.183 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -16.047 -32.021 14.765 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -16.548 -33.433 14.550 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -8.368 -32.750 13.584 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -7.722 -33.079 14.209 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -7.858 -32.232 12.961 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -14.314 -28.934 15.161 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -13.698 -29.460 15.670 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -14.900 -29.574 14.757 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -14.711 -26.287 19.545 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -15.451 -25.689 19.648 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -13.997 -25.733 19.229 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.604 -33.459 15.565 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.819 -34.225 16.097 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -5.948 -32.987 16.078 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -16.303 -24.323 20.332 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -16.309 -23.444 19.954 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -17.157 -24.406 20.757 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -13.254 -36.657 16.710 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -13.371 -37.606 16.656 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -14.109 -36.325 16.983 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -8.305 -21.249 14.452 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -7.880 -21.956 13.967 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -7.988 -20.448 14.035 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -7.146 -23.348 12.961 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -7.403 -24.038 12.349 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -7.075 -23.791 13.806 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -10.987 -27.820 11.210 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -11.699 -27.285 10.859 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -10.296 -27.764 10.550 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.581 -27.610 12.162 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -8.313 -27.382 12.735 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -7.134 -28.324 12.617 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -15.936 -26.980 14.045 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -16.266 -27.350 13.226 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -15.348 -27.650 14.391 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -14.569 -23.552 16.726 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -14.664 -24.130 15.969 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -13.840 -23.923 17.222 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -15.569 -28.211 17.678 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -15.004 -28.090 16.915 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -15.250 -27.574 18.317 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -8.710 -28.448 9.847 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -8.131 -28.298 10.594 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -8.296 -27.977 9.124 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -17.769 -27.614 21.624 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -17.699 -26.963 22.322 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -18.660 -27.511 21.289 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -10.984 -21.711 13.282 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -10.510 -21.416 14.060 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -11.547 -20.973 13.049 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -16.450 -21.740 23.159 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -16.442 -21.876 22.211 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -17.366 -21.858 23.411 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -8.741 -19.675 11.449 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -9.676 -19.575 11.628 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -8.461 -20.384 12.027 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -18.604 -24.224 21.492 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -18.387 -24.585 22.352 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -19.459 -24.598 21.282 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.322 -36.032 20.862 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -10.902 -36.447 21.615 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -12.255 -36.210 20.979 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -15.894 -30.788 18.583 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -16.536 -30.829 19.292 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -15.857 -29.862 18.345 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -15.897 -30.567 13.495 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -16.790 -30.908 13.436 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -15.446 -30.944 12.739 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -10.361 -30.151 12.312 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -10.770 -29.336 12.020 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -9.641 -30.291 11.697 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -13.315 -33.140 14.581 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -14.226 -33.083 14.870 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -12.810 -33.200 15.392 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -14.834 -31.511 11.064 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -13.902 -31.382 11.242 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -15.049 -30.841 10.415 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -8.910 -33.905 17.845 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -9.587 -33.774 18.509 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -9.396 -34.060 17.035 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -18.025 -25.759 23.730 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -17.292 -25.505 24.291 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -18.805 -25.555 24.245 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.369 -31.964 18.882 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -14.204 -31.510 18.992 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -12.845 -31.688 19.634 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -12.825 -25.751 10.567 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -13.569 -26.258 10.244 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -12.959 -25.702 11.513 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -8.209 -31.070 10.427 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -7.317 -31.207 10.746 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -8.152 -30.279 9.890 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -17.700 -26.456 16.336 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -16.955 -26.458 15.735 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -17.622 -27.280 16.818 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -10.699 -24.292 9.592 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -10.994 -23.466 9.974 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -11.402 -24.912 9.788 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -13.675 -28.478 23.864 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -13.971 -28.644 22.969 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -12.744 -28.698 23.854 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -3.324 -30.860 10.121 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -3.878 -31.256 9.449 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -3.223 -29.950 9.844 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -5.028 -22.074 10.586 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -5.401 -22.900 10.896 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -4.751 -22.257 9.689 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -15.325 -22.938 13.741 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -14.798 -22.165 13.540 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -16.205 -22.713 13.439 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -13.898 -25.275 13.317 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -14.139 -24.350 13.359 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -14.638 -25.734 13.713 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -13.383 -21.126 19.632 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -13.020 -20.271 19.399 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -12.851 -21.418 20.373 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -6.770 -25.425 10.633 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -7.047 -26.153 11.189 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.843 -25.306 10.839 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.323 -33.501 20.099 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -9.625 -33.427 20.749 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.704 -34.365 20.254 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -11.870 -21.718 10.059 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -12.687 -21.221 10.112 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -11.341 -21.243 9.419 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -12.339 -32.121 12.031 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -11.527 -31.617 12.077 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -12.584 -32.266 12.945 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -11.803 -31.135 21.216 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -11.684 -30.561 21.973 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -11.148 -31.823 21.331 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -11.455 -35.040 12.969 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -11.802 -34.422 13.614 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -10.797 -34.539 12.488 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -15.599 -20.631 25.617 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -14.831 -21.090 25.958 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -15.620 -20.857 24.687 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -15.510 -29.531 21.745 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -16.128 -28.856 22.026 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -15.166 -29.210 20.912 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -4.338 -26.826 7.097 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -4.611 -27.251 6.284 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -4.298 -25.895 6.880 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -15.170 -32.176 22.828 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -15.020 -32.905 22.225 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -15.168 -31.399 22.269 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -14.758 -33.806 20.320 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -14.222 -33.355 19.668 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -15.610 -33.914 19.898 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -13.176 -28.367 20.560 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.425 -28.523 19.987 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -13.515 -27.515 20.284 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -13.952 -36.350 20.752 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -14.050 -35.403 20.646 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -14.695 -36.722 20.276 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -12.688 -32.028 24.315 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.924 -32.248 25.217 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -13.471 -32.235 23.806 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -9.972 -32.901 23.391 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -10.920 -32.869 23.523 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -9.660 -33.526 24.045 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -13.730 -37.056 23.423 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -13.018 -37.696 23.409 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -13.831 -36.789 22.509 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -13.377 -35.373 25.477 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -13.508 -35.849 24.656 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -13.976 -34.629 25.421 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -3.194 -19.571 17.998 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -3.216 -19.386 18.937 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -2.504 -19.002 17.657 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -3.879 -25.957 11.072 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -3.029 -25.536 11.200 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -3.874 -26.697 11.680 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -3.217 -28.003 9.287 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -3.738 -27.646 8.568 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -3.250 -27.328 9.965 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -4.868 -30.763 7.838 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -4.771 -30.096 7.158 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -5.008 -31.579 7.356 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -5.698 -29.383 13.459 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -5.848 -30.328 13.439 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -6.052 -29.102 14.303 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -5.988 -31.800 11.921 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -5.708 -32.707 12.046 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -5.229 -31.366 11.532 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -5.374 -34.537 11.970 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -5.192 -34.986 12.795 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -5.974 -35.122 11.506 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -6.456 -19.481 13.570 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -5.803 -19.828 12.962 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -5.945 -18.992 14.216 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -16.117 -21.577 20.372 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -16.542 -20.768 20.089 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -15.212 -21.492 20.070 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -16.248 -18.721 19.449 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -17.113 -18.649 19.853 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -16.303 -18.174 18.665 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -11.537 -18.833 18.625 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -11.994 -18.304 17.971 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -11.374 -18.230 19.350 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -6.605 -18.385 19.865 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -6.787 -17.469 19.654 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -6.429 -18.795 19.018 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -14.622 -20.518 16.833 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -14.409 -21.406 16.546 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -14.557 -20.552 17.788 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.113 -34.854 15.978 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -11.788 -35.483 16.233 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.549 -35.338 15.375 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -5.971 -36.747 16.090 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -5.367 -36.199 15.589 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.840 -36.427 15.850 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -4.244 -35.608 14.424 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -3.632 -36.122 13.897 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -3.861 -34.730 14.447 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.650 -36.263 15.262 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -8.574 -36.168 14.313 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -8.926 -37.171 15.391 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -4.476 -19.701 11.578 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -4.670 -20.449 11.013 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -4.515 -18.943 10.994 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -9.708 -27.064 32.614 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -9.619 -26.120 32.482 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -10.347 -27.339 31.956 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -10.775 -27.809 36.033 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -10.813 -28.455 36.738 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -11.098 -28.275 35.262 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.958 -19.765 34.547 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -9.338 -20.442 34.274 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.166 -19.983 35.455 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.245 -30.982 36.767 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -9.102 -31.929 36.787 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.351 -30.775 35.838 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.368 -32.750 32.440 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -7.722 -33.079 33.065 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.858 -32.232 31.817 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -9.911 -24.463 31.657 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.207 -24.785 30.806 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.235 -23.563 31.699 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -6.557 -23.030 36.683 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -7.499 -22.972 36.844 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -6.281 -22.124 36.546 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -8.305 -21.249 33.308 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -7.880 -21.956 32.823 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -7.988 -20.448 32.891 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -7.146 -23.348 31.817 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -7.403 -24.038 31.205 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -7.075 -23.791 32.662 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -5.460 -24.782 40.294 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -5.320 -25.373 39.555 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -5.292 -23.909 39.938 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.987 -27.820 30.066 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -11.699 -27.285 29.715 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.296 -27.764 29.406 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.933 -29.362 27.105 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.232 -29.340 27.756 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.631 -29.990 26.449 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -7.684 -29.436 40.086 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -7.604 -28.673 40.658 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.285 -29.157 39.395 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.260 -22.708 37.268 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.501 -22.046 37.916 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.458 -23.542 37.693 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -10.984 -21.711 32.138 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -10.510 -21.416 32.916 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -11.547 -20.973 31.905 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -11.512 -18.755 30.553 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -11.587 -18.876 29.607 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -11.479 -17.805 30.672 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -5.753 -30.608 42.351 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -6.160 -30.127 41.631 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -5.712 -31.513 42.044 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -7.996 -32.276 40.572 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.510 -32.402 41.369 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.151 -31.364 40.327 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.660 -33.539 27.003 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -11.914 -33.520 27.926 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -11.917 -34.411 26.702 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -10.361 -30.151 31.168 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -10.770 -29.336 30.876 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -9.641 -30.291 30.553 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -9.357 -30.705 33.982 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.552 -30.100 33.267 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -9.175 -31.539 33.547 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -10.093 -29.067 38.653 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -9.769 -29.698 38.010 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -10.533 -29.602 39.314 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -8.910 -33.905 36.701 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -9.587 -33.774 37.365 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -9.396 -34.060 35.891 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -11.995 -30.352 35.324 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -11.431 -30.899 34.777 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -12.143 -30.874 36.113 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -12.825 -25.751 29.423 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -13.569 -26.258 29.100 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.959 -25.702 30.369 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -5.675 -26.618 38.209 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -5.033 -26.161 37.666 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -6.505 -26.505 37.747 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -10.699 -24.292 28.448 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -10.994 -23.466 28.830 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -11.402 -24.912 28.644 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -3.360 -25.060 41.814 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.212 -24.822 41.447 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -2.770 -25.077 41.061 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -15.214 -20.253 31.718 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -16.164 -20.148 31.770 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -14.863 -19.433 32.063 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -9.839 -25.027 38.189 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.265 -25.254 39.015 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.258 -25.765 38.006 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -14.608 -23.416 28.166 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -14.461 -23.936 28.956 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -14.611 -22.509 28.472 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -10.323 -33.501 38.955 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -9.625 -33.427 39.605 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -10.704 -34.365 39.110 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.539 -33.849 30.052 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.319 -33.377 29.249 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -8.981 -33.454 30.723 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -12.339 -32.121 30.887 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -11.527 -31.617 30.933 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -12.584 -32.266 31.801 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -11.455 -35.040 31.825 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -11.802 -34.422 32.470 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.797 -34.539 31.344 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -14.532 -20.675 28.897 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -14.371 -19.875 28.396 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -14.729 -20.368 29.782 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.599 -33.228 40.907 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.515 -32.965 40.819 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -5.263 -33.231 40.010 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -17.539 -23.549 27.573 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -16.947 -22.850 27.849 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -17.080 -23.982 26.854 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -5.910 -20.221 36.625 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -6.066 -19.543 35.968 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -4.978 -20.149 36.828 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -15.948 -25.396 25.939 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -15.884 -26.190 26.470 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -15.295 -25.515 25.250 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -7.899 -25.854 40.623 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.154 -25.266 40.503 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.656 -25.272 40.686 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -14.799 -27.424 28.245 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -15.258 -27.908 28.931 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -14.544 -28.092 27.609 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -13.728 -29.181 26.508 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -13.908 -29.335 25.580 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -12.777 -29.073 26.552 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -13.830 -18.490 27.509 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -12.897 -18.332 27.653 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -14.094 -17.815 26.884 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -3.631 -20.004 39.776 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -4.118 -20.739 39.405 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -3.082 -20.397 40.454 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -3.726 -25.119 36.700 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -2.892 -25.497 36.419 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -3.614 -24.176 36.581 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -5.239 -22.241 39.007 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -5.887 -21.916 39.632 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.757 -22.681 38.332 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -4.842 -27.413 41.954 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -4.259 -28.147 42.145 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -4.278 -26.641 42.000 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.345 -29.510 42.638 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -4.208 -29.889 42.473 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -2.741 -30.249 42.564 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -5.347 -30.482 38.989 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -6.190 -30.214 39.355 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -4.904 -29.660 38.778 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -3.064 -36.502 44.343 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -2.714 -37.156 43.737 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -2.917 -35.665 43.903 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -3.544 -34.393 42.692 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -4.461 -34.122 42.656 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.421 -34.928 41.908 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -6.456 -19.481 32.426 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -5.803 -19.828 31.818 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -5.945 -18.992 33.072 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -4.543 -36.303 40.511 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -5.356 -35.978 40.123 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -4.310 -37.063 39.978 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.605 -18.385 38.721 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -6.787 -17.469 38.510 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.429 -18.795 37.874 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -11.113 -34.854 34.834 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -11.788 -35.483 35.089 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -10.549 -35.338 34.231 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.650 -36.263 34.118 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.574 -36.168 33.169 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -8.926 -37.171 34.247 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -13.063 -34.213 29.359 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -12.885 -34.859 30.042 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -13.117 -33.379 29.826 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -4.476 -19.701 30.434 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -4.670 -20.449 29.869 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -4.515 -18.943 29.850 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -3.331 -13.441 20.680 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -4.020 -12.783 20.585 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -3.316 -13.638 21.617 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -6.257 -15.888 19.244 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -6.993 -15.277 19.206 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.573 -15.473 18.718 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -13.254 -17.801 16.710 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -13.371 -18.750 16.656 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -14.109 -17.469 16.983 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -5.753 -11.752 23.495 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -6.160 -11.271 22.775 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -5.712 -12.657 23.188 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -11.322 -17.176 20.862 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -10.902 -17.591 21.615 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -12.255 -17.354 20.979 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -7.996 -13.420 21.716 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -8.510 -13.546 22.513 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -8.151 -12.508 21.471 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.323 -14.645 20.099 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -9.625 -14.571 20.749 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -10.704 -15.509 20.254 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -5.599 -14.372 22.051 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.515 -14.109 21.963 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -5.263 -14.375 21.154 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -8.760 -11.696 25.588 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -8.568 -12.627 25.477 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -7.903 -11.271 25.578 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -13.952 -17.494 20.752 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -14.050 -16.547 20.646 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -14.695 -17.866 20.276 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -12.688 -13.172 24.315 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -12.924 -13.392 25.217 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -13.471 -13.379 23.806 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -9.972 -14.045 23.391 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -10.920 -14.013 23.523 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -9.660 -14.670 24.045 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -13.730 -18.200 23.423 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -13.018 -18.840 23.409 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -13.831 -17.933 22.509 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -13.377 -16.517 25.477 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -13.508 -16.993 24.656 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -13.976 -15.773 25.421 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.345 -10.654 23.782 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -4.208 -11.033 23.617 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.741 -11.393 23.708 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -3.064 -17.646 25.487 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -2.714 -18.300 24.881 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.917 -16.809 25.047 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -3.544 -15.537 23.836 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -4.461 -15.266 23.800 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -3.421 -16.072 23.052 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -4.543 -17.447 21.655 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -5.356 -17.122 21.267 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -4.310 -18.207 21.122 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -5.971 -17.891 16.090 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -5.367 -17.343 15.589 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -6.840 -17.571 15.850 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -4.244 -16.752 14.424 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -3.632 -17.266 13.897 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -3.861 -15.874 14.447 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -8.650 -17.407 15.262 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -8.574 -17.312 14.313 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -8.926 -18.315 15.391 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -16.856 -17.499 24.853 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -15.957 -17.773 24.668 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -17.242 -18.242 25.317 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -3.723 -14.919 37.300 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -3.674 -14.309 38.036 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -3.297 -14.458 36.577 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.012 -17.842 28.516 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -5.911 -17.703 28.811 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -4.760 -17.011 28.114 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -11.660 -14.683 27.003 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -11.914 -14.664 27.926 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -11.917 -15.555 26.702 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -14.778 -14.238 26.104 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -15.209 -14.683 26.834 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -15.496 -13.866 25.592 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -8.927 -14.081 27.622 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -9.865 -13.969 27.471 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -8.630 -13.224 27.928 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -8.209 -12.214 29.283 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -7.317 -12.351 29.602 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -8.152 -11.423 28.746 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -3.324 -12.004 28.977 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -3.878 -12.400 28.305 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -3.223 -11.094 28.700 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -9.539 -14.993 30.052 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -9.319 -14.521 29.249 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -8.981 -14.598 30.723 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -11.455 -16.184 31.825 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -11.802 -15.566 32.470 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -10.797 -15.683 31.344 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.868 -11.907 26.694 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.771 -11.240 26.014 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -5.008 -12.723 26.212 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -5.620 -14.499 25.811 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.010 -14.871 26.448 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -6.457 -14.921 26.007 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -5.374 -15.681 30.826 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -5.192 -16.130 31.651 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -5.974 -16.266 30.362 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -3.508 -15.614 27.354 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -3.095 -16.335 26.878 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -2.826 -14.944 27.412 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -5.971 -17.891 34.946 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.367 -17.343 34.445 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.840 -17.571 34.706 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -4.244 -16.752 33.280 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -3.632 -17.266 32.753 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -3.861 -15.874 33.303 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -8.650 -17.407 34.118 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -8.574 -17.312 33.169 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -8.926 -18.315 34.247 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -7.297 -17.381 29.811 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -8.000 -16.767 29.601 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -7.742 -18.219 29.942 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -13.063 -15.357 29.359 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -12.885 -16.003 30.042 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -13.117 -14.523 29.826 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 9.148 -45.920 13.758 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 9.237 -44.976 13.626 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 8.509 -46.195 13.100 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 8.081 -46.665 17.177 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 8.043 -47.311 17.882 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 7.758 -47.131 16.406 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 11.787 -43.726 15.479 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 11.346 -44.446 15.929 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 11.774 -43.005 16.109 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 1.373 -42.600 17.305 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 1.003 -43.402 16.936 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 2.314 -42.769 17.352 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 6.470 -44.232 17.583 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 6.774 -44.918 16.989 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 7.192 -44.114 18.201 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 8.945 -43.319 12.801 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 8.649 -43.641 11.950 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 8.621 -42.419 12.843 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 4.145 -45.143 19.545 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 3.405 -44.545 19.648 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 4.859 -44.589 19.229 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 2.553 -43.179 20.332 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 2.547 -42.300 19.954 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 1.699 -43.262 20.757 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 11.710 -42.204 12.961 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 11.453 -42.894 12.349 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 11.781 -42.647 13.806 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 15.238 -47.298 19.504 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 14.586 -46.603 19.593 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 15.703 -47.088 18.694 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 11.172 -48.292 21.230 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 11.252 -47.529 21.802 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 10.571 -48.013 20.539 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 4.287 -42.408 16.726 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 4.192 -42.986 15.969 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 5.016 -42.779 17.222 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 3.287 -47.067 17.678 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 3.852 -46.946 16.915 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 3.606 -46.430 18.317 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 1.087 -46.470 21.624 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 1.157 -45.819 22.322 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 0.196 -46.367 21.289 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 7.872 -40.567 13.282 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 8.346 -40.272 14.060 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 7.309 -39.829 13.049 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 15.034 -41.188 8.037 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 15.107 -40.249 8.207 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 15.939 -41.493 7.980 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -1.997 -44.403 20.449 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -2.498 -44.431 19.634 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -1.991 -45.309 20.759 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 7.344 -37.611 11.697 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 7.269 -37.732 10.751 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 7.377 -36.661 11.816 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 0.998 -38.822 13.478 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 1.150 -39.170 14.357 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 0.147 -39.178 13.223 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 10.446 -38.457 8.700 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 10.821 -39.201 8.229 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 10.450 -38.727 9.618 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 10.115 -38.531 11.449 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 9.180 -38.431 11.628 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 10.395 -39.240 12.027 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 13.103 -49.464 23.495 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 12.696 -48.983 22.775 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 13.144 -50.369 23.188 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 7.597 -48.832 23.800 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 7.034 -49.536 24.120 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 8.423 -48.952 24.267 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 8.763 -47.923 19.797 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 9.087 -48.554 19.154 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 8.323 -48.458 20.458 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 0.831 -44.615 23.730 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 1.564 -44.361 24.291 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 0.051 -44.411 24.245 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 7.551 -44.423 21.804 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 7.205 -44.804 22.610 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 7.351 -43.489 21.875 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 1.156 -45.312 16.336 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 1.901 -45.314 15.735 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 1.234 -46.136 16.818 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -1.836 -46.851 21.651 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -1.613 -47.269 22.483 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -2.438 -47.464 21.229 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 5.181 -47.334 23.864 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 4.885 -47.500 22.969 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 6.112 -47.554 23.854 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 13.828 -40.930 10.586 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 13.455 -41.756 10.896 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 14.105 -41.113 9.689 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 10.988 -46.122 17.608 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 10.060 -46.354 17.581 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 11.439 -46.899 17.278 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 3.531 -41.794 13.741 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 4.058 -41.021 13.540 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 2.651 -41.569 13.439 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 4.958 -44.131 13.317 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 4.717 -43.206 13.359 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 4.218 -44.590 13.713 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 3.642 -39.109 12.862 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 2.692 -39.004 12.914 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 3.993 -38.289 13.207 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 15.724 -38.474 8.608 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 16.467 -37.888 8.468 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 15.029 -37.906 8.941 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 12.086 -44.281 10.633 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 11.809 -45.009 11.189 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 13.013 -44.162 10.839 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 6.986 -40.574 10.059 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 6.169 -40.077 10.112 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 7.515 -40.099 9.419 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.324 -39.531 10.041 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 4.485 -38.731 9.540 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.127 -39.224 10.926 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 11.859 -48.333 16.147 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 11.062 -48.748 15.818 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 12.304 -49.024 16.638 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -0.629 -41.019 12.667 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -1.461 -40.546 12.694 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.083 -40.509 12.068 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -1.433 -44.596 24.951 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -1.289 -45.498 24.665 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.206 -44.310 24.463 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 5.222 -44.626 24.384 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 4.894 -44.355 23.526 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 5.374 -45.567 24.296 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -0.601 -47.396 24.371 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -0.193 -48.253 24.250 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -0.861 -47.381 25.292 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 8.366 -45.916 25.023 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 9.319 -45.832 24.995 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 8.206 -46.627 25.642 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 5.680 -47.223 20.560 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 6.431 -47.379 19.987 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 5.341 -46.371 20.284 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 10.096 -49.408 25.588 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 10.288 -50.339 25.477 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 10.953 -48.983 25.578 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 11.412 -46.619 23.666 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 11.131 -45.910 23.088 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 12.355 -46.692 23.515 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 5.026 -37.346 8.653 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 5.959 -37.188 8.797 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 4.762 -36.671 8.028 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -2.757 -37.317 13.213 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -3.404 -37.779 12.680 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -2.402 -37.989 13.796 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 14.977 -44.813 11.072 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 15.827 -44.392 11.200 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 14.982 -45.553 11.680 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 15.130 -43.975 17.844 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 15.964 -44.353 17.563 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 15.242 -43.032 17.725 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -1.807 -46.161 17.469 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -1.623 -46.243 16.534 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -0.958 -46.285 17.893 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 15.511 -48.366 23.782 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 14.648 -48.745 23.617 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 16.115 -49.105 23.708 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 13.480 -50.075 17.357 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 14.413 -49.863 17.323 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 13.245 -49.973 18.280 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 13.509 -49.338 20.133 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 12.666 -49.070 20.499 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 13.952 -48.516 19.922 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -1.193 -39.330 10.501 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -1.878 -39.368 9.833 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -1.190 -38.417 10.789 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 7.671 -38.120 8.898 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 8.537 -37.754 8.720 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 7.424 -38.560 8.085 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 8.081 -46.665 36.033 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 8.043 -47.311 36.738 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 7.758 -47.131 35.262 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 0.449 -47.050 37.626 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 0.491 -47.676 38.350 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.152 -46.427 37.808 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -2.017 -48.940 31.554 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -2.465 -48.094 31.536 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -2.578 -49.520 31.039 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -1.307 -46.778 33.680 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -1.093 -47.548 34.207 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -0.569 -46.689 33.077 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 6.470 -44.232 36.439 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 6.774 -44.918 35.845 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 7.192 -44.114 37.057 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 10.488 -51.606 32.440 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 11.134 -51.935 33.065 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 10.998 -51.088 31.817 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 -0.614 -49.340 34.801 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 0.040 -49.890 35.233 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 -0.590 -49.614 33.885 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 4.542 -47.790 34.017 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 5.158 -48.316 34.526 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 3.956 -48.430 33.613 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 4.145 -45.143 38.401 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 3.405 -44.545 38.504 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 4.859 -44.589 38.085 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 7.923 -48.218 27.105 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 8.624 -48.196 27.756 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 8.225 -48.846 26.449 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 15.238 -47.298 38.360 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 14.586 -46.603 38.449 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 15.703 -47.088 37.550 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 11.172 -48.292 40.086 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 11.252 -47.529 40.658 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 10.571 -48.013 39.395 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 3.287 -47.067 36.534 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 3.852 -46.946 35.771 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 3.606 -46.430 37.173 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.167 -42.668 41.251 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 3.855 -41.886 41.707 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 3.517 -42.821 40.565 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 1.087 -46.470 40.480 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 1.157 -45.819 41.178 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 0.196 -46.367 40.145 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 1.910 -46.766 30.490 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 1.618 -45.998 29.999 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 1.236 -47.426 30.327 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 -2.246 -41.623 36.189 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -1.300 -41.767 36.170 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 -2.359 -40.839 36.726 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 2.959 -49.423 32.351 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 2.066 -49.764 32.292 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 3.410 -49.800 31.595 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 8.495 -49.007 31.168 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 8.086 -48.192 30.876 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 9.215 -49.147 30.553 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 9.499 -49.561 33.982 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 9.304 -48.956 33.267 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 9.681 -50.395 33.547 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 8.763 -47.923 38.653 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 9.087 -48.554 38.010 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.323 -48.458 39.314 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 0.369 -50.367 32.264 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -0.520 -50.267 31.924 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 0.665 -51.209 31.918 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 4.022 -50.367 29.920 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 4.954 -50.238 30.098 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 3.807 -49.697 29.271 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 2.696 -49.172 27.487 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 2.154 -49.552 26.796 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 3.530 -48.978 27.058 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 6.861 -49.208 35.324 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 7.425 -49.755 34.777 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 6.713 -49.730 36.113 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 13.181 -45.474 38.209 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 13.823 -45.017 37.666 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 12.351 -45.361 37.747 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.929 -51.793 27.622 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 8.991 -51.681 27.471 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 10.226 -50.936 27.928 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 7.551 -44.423 40.660 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 7.205 -44.804 41.466 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 7.351 -43.489 40.731 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 10.647 -49.926 29.283 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 11.539 -50.063 29.602 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 10.704 -49.135 28.746 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -1.836 -46.851 40.507 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -1.613 -47.269 41.339 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -2.438 -47.464 40.085 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 15.532 -49.716 28.977 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 14.978 -50.112 28.305 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 15.633 -48.806 28.700 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 15.496 -43.916 41.814 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 14.644 -43.678 41.447 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 16.086 -43.933 41.061 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 10.988 -46.122 36.464 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 10.060 -46.354 36.437 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 11.439 -46.899 36.134 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 -0.714 -46.932 27.184 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 -0.098 -46.305 27.563 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 -1.576 -46.616 27.455 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 9.017 -43.883 38.189 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 8.591 -44.110 39.015 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 9.598 -44.621 38.006 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 9.317 -52.705 30.052 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 9.537 -52.233 29.249 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 9.875 -52.310 30.723 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.517 -50.977 30.887 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 7.329 -50.473 30.933 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 6.272 -51.122 31.801 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 11.859 -48.333 35.003 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 11.062 -48.748 34.674 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 12.304 -49.024 35.494 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 3.257 -39.487 44.473 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 4.025 -39.946 44.814 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 3.236 -39.713 43.543 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -1.433 -44.596 43.807 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -1.289 -45.498 43.521 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -2.206 -44.310 43.319 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 2.908 -44.252 25.939 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 2.972 -45.046 26.470 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 3.561 -44.371 25.250 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 5.222 -44.626 43.240 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 4.894 -44.355 42.382 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 5.374 -45.567 43.152 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.957 -44.710 40.623 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 11.702 -44.122 40.503 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 10.200 -44.128 40.686 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -0.601 -47.396 43.227 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -0.193 -48.253 43.106 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -0.861 -47.381 44.148 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 4.057 -46.280 28.245 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 3.598 -46.764 28.931 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 4.312 -46.948 27.609 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 3.346 -48.387 40.601 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 2.728 -47.712 40.882 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 3.690 -48.066 39.768 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.128 -48.037 26.508 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 4.948 -48.191 25.580 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 6.079 -47.929 26.552 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 8.366 -45.916 43.879 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 9.319 -45.832 43.851 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 8.206 -46.627 44.498 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 14.518 -45.682 25.953 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 14.245 -46.107 25.140 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 14.558 -44.751 25.736 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.412 -46.619 42.522 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 11.131 -45.910 41.944 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 12.355 -46.692 42.371 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 13.676 -43.070 44.414 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 12.810 -43.175 44.808 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 14.052 -42.311 44.861 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 15.371 -46.760 31.752 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 14.645 -47.239 32.150 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 15.952 -46.554 32.484 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 15.639 -46.859 28.143 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 15.118 -46.502 27.424 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 15.606 -46.184 28.821 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 13.988 -49.619 26.694 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 14.085 -48.952 26.014 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 13.848 -50.435 26.212 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 13.158 -48.239 32.315 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 13.008 -49.184 32.295 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 12.804 -47.958 33.159 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 -1.807 -46.161 36.325 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 -1.623 -46.243 35.390 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 -0.958 -46.285 36.749 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 14.014 -46.269 41.954 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 14.597 -47.003 42.145 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 14.578 -45.497 42.000 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 12.868 -50.656 30.777 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 13.148 -51.563 30.902 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 13.627 -50.222 30.388 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 -1.326 -43.508 48.826 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 -1.598 -43.279 47.937 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 -1.281 -42.670 49.286 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 7.872 -40.567 50.994 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 8.346 -40.272 51.772 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 7.309 -39.829 50.761 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 15.034 -41.188 45.749 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 15.107 -40.249 45.919 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 15.939 -41.493 45.692 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.344 -37.611 49.409 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 7.269 -37.732 48.463 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 7.377 -36.661 49.528 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 10.446 -38.457 46.412 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 10.821 -39.201 45.941 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.450 -38.727 47.330 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 10.115 -38.531 49.161 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 9.180 -38.431 49.340 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.395 -39.240 49.739 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 11.623 -46.271 45.189 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 11.665 -46.494 44.259 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 12.472 -45.873 45.379 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 6.031 -44.607 48.279 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 5.287 -45.114 47.956 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 5.897 -44.558 49.225 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 8.157 -43.148 47.304 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 7.862 -42.322 47.686 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 7.454 -43.768 47.500 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 13.828 -40.930 48.298 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 13.455 -41.756 48.608 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 14.105 -41.113 47.401 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 -0.714 -46.932 46.040 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 -0.098 -46.305 46.419 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -1.576 -46.616 46.311 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 11.220 -42.954 46.119 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 11.573 -43.334 46.923 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 10.271 -43.047 46.205 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 15.724 -38.474 46.320 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.467 -37.888 46.180 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 15.029 -37.906 46.653 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 5.311 -41.842 44.566 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 5.550 -42.590 44.018 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 5.042 -42.230 45.398 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 4.248 -42.272 47.022 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 4.395 -42.792 47.812 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 4.245 -41.365 47.328 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 0.701 -45.019 47.532 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 0.015 -44.667 48.099 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 1.224 -44.256 47.286 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 6.986 -40.574 47.771 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 6.169 -40.077 47.824 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 7.515 -40.099 47.131 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 4.324 -39.531 47.753 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 4.485 -38.731 47.252 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 4.127 -39.224 48.638 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 1.317 -42.405 46.429 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 1.909 -41.706 46.705 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 1.776 -42.838 45.710 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 11.953 -40.162 44.938 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 12.236 -40.956 45.391 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.693 -39.929 44.377 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 2.908 -44.252 44.795 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 2.972 -45.046 45.326 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 3.561 -44.371 44.106 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 14.518 -45.682 44.809 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 14.245 -46.107 43.996 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 14.558 -44.751 44.592 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 5.026 -37.346 46.365 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 5.959 -37.188 46.509 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 4.762 -36.671 45.740 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 -1.406 -42.710 45.848 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 -0.492 -42.631 46.121 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 -1.399 -43.397 45.181 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 -1.193 -39.330 48.213 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 -1.878 -39.368 47.545 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 -1.190 -38.417 48.501 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 0.625 -38.410 45.238 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 0.357 -38.123 46.111 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 1.396 -38.956 45.390 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 8.898 -19.765 -3.165 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 9.518 -20.442 -3.438 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 8.690 -19.983 -2.257 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 12.299 -23.030 -1.029 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 11.357 -22.972 -0.868 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.575 -22.124 -1.166 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 10.551 -21.249 -4.404 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 10.976 -21.956 -4.889 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 10.868 -20.448 -4.821 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 13.396 -24.782 2.582 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 13.536 -25.373 1.843 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 13.564 -23.909 2.226 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.596 -22.708 -0.444 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 9.355 -22.046 0.204 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.398 -23.542 -0.019 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 2.406 -21.740 4.303 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.414 -21.876 3.355 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 1.490 -21.858 4.555 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.930 -22.527 3.035 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 7.017 -21.701 3.510 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 6.066 -22.857 3.284 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 0.831 -25.759 4.874 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 1.564 -25.505 5.435 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 0.051 -25.555 5.389 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 9.801 -23.105 2.898 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 8.900 -22.922 2.630 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 9.835 -22.846 3.819 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.496 -25.060 4.102 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 14.644 -24.822 3.735 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 16.086 -25.077 3.349 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 5.473 -21.126 0.776 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 5.836 -20.271 0.543 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 6.005 -21.418 1.517 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.017 -25.027 0.477 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 8.591 -25.254 1.303 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 9.598 -25.765 0.294 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 12.946 -20.221 -1.087 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 12.790 -19.543 -1.744 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 13.878 -20.149 -0.884 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 3.257 -20.631 6.761 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.025 -21.090 7.102 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 3.236 -20.857 5.831 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.834 -22.251 5.490 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.483 -23.107 5.733 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 10.560 -22.108 6.097 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 -1.433 -25.740 6.095 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 -1.289 -26.642 5.809 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 -2.206 -25.454 5.607 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 10.957 -25.854 2.911 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 11.702 -25.266 2.791 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 10.200 -25.272 2.974 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 -0.601 -28.540 5.515 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 -0.193 -29.397 5.394 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 -0.861 -28.525 6.436 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 8.366 -27.060 6.167 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 9.319 -26.976 6.139 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 8.206 -27.771 6.786 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 10.096 -30.552 6.732 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 10.288 -31.483 6.621 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.953 -30.127 6.722 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.412 -27.763 4.810 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 11.131 -27.054 4.232 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.355 -27.836 4.659 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 2.164 -30.978 5.883 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 1.397 -31.510 5.673 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 2.843 -31.288 5.284 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 10.518 -34.267 6.540 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 10.421 -35.219 6.534 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 10.196 -33.998 7.401 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 15.662 -19.571 -0.858 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 15.640 -19.386 0.081 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 16.352 -19.002 -1.199 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 15.225 -20.004 2.064 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 14.738 -20.739 1.693 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 15.774 -20.397 2.742 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 13.617 -22.241 1.295 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.969 -21.916 1.920 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 13.099 -22.681 0.620 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 14.014 -27.413 4.242 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 14.597 -28.147 4.433 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 14.578 -26.641 4.288 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 15.792 -36.502 6.631 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 16.142 -37.156 6.025 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 15.939 -35.665 6.191 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 15.312 -34.393 4.980 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 14.395 -34.122 4.944 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 15.435 -34.928 4.196 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 12.400 -19.481 -5.286 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.053 -19.828 -5.894 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 12.911 -18.992 -4.640 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 2.739 -21.577 1.516 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 2.314 -20.768 1.233 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 3.644 -21.492 1.214 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 2.608 -18.721 0.593 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 1.743 -18.649 0.997 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 2.553 -18.174 -0.191 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 4.234 -20.518 -2.023 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 4.447 -21.406 -2.310 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 4.299 -20.552 -1.068 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 7.869 -27.820 11.210 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.157 -27.285 10.859 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 8.560 -27.764 10.550 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 7.923 -29.362 8.249 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 8.624 -29.340 8.900 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 8.225 -29.990 7.593 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 10.146 -28.448 9.847 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 10.725 -28.298 10.594 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 10.560 -27.977 9.124 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 13.844 -36.698 9.660 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 12.945 -36.559 9.955 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.096 -35.867 9.258 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 0.998 -19.966 13.478 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 1.150 -20.314 14.357 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 0.147 -20.322 13.223 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 11.623 -27.415 7.477 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 11.665 -27.638 6.547 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 12.472 -27.017 7.667 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 7.196 -33.539 8.147 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 6.942 -33.520 9.070 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 6.939 -34.411 7.846 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 4.078 -33.094 7.248 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 3.647 -33.539 7.978 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 3.360 -32.722 6.736 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 -2.680 -33.352 14.300 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 -2.049 -33.381 15.020 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 -2.230 -33.777 13.570 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 -1.405 -32.606 9.724 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 -0.931 -32.015 9.139 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 -2.123 -32.075 10.071 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 4.022 -31.511 11.064 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 4.954 -31.382 11.242 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 3.807 -30.841 10.415 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 2.696 -30.316 8.631 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 2.154 -30.696 7.940 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 3.530 -30.122 8.202 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 9.929 -32.937 8.766 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 8.991 -32.825 8.615 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 10.226 -32.080 9.072 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.220 -24.098 8.407 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 11.573 -24.478 9.211 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 10.271 -24.191 8.493 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 12.086 -25.425 10.633 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 11.809 -26.153 11.189 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 13.013 -25.306 10.839 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 5.311 -22.986 6.854 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 5.550 -23.734 6.306 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 5.042 -23.374 7.686 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 4.248 -23.416 9.310 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 4.395 -23.936 10.100 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 4.245 -22.509 9.616 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 9.317 -33.849 11.196 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 9.537 -33.377 10.393 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 9.875 -33.454 11.867 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 3.058 -33.977 9.657 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 2.975 -33.088 10.003 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 3.948 -34.242 9.888 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 1.317 -23.549 8.717 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 1.909 -22.850 8.993 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 1.776 -23.982 7.998 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 -0.367 -30.885 7.833 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 -0.412 -29.946 8.012 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 -1.255 -31.121 7.563 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 -0.629 -22.163 12.667 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 -1.461 -21.690 12.694 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 -0.083 -21.653 12.068 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.908 -25.396 7.083 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 2.972 -26.190 7.614 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 3.561 -25.515 6.394 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 8.260 -24.349 6.819 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 7.992 -24.169 7.720 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 8.054 -25.275 6.688 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 4.057 -27.424 9.389 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.598 -27.908 10.075 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 4.312 -28.092 8.753 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 5.128 -29.181 7.652 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 4.948 -29.335 6.724 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.079 -29.073 7.696 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 14.518 -26.826 7.097 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 14.245 -27.251 6.284 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 14.558 -25.895 6.880 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 -1.406 -23.854 8.136 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 -0.492 -23.775 8.409 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 -1.399 -24.541 7.469 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 -2.757 -18.461 13.213 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 -3.404 -18.923 12.680 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 -2.402 -19.133 13.796 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 -1.887 -20.380 15.018 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 -2.221 -21.261 15.190 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 -1.665 -20.035 15.882 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 15.371 -27.904 12.896 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 14.645 -28.383 13.294 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 15.952 -27.698 13.628 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 15.639 -28.003 9.287 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 15.118 -27.646 8.568 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 15.606 -27.328 9.965 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 13.988 -30.763 7.838 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 14.085 -30.096 7.158 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 13.848 -31.579 7.356 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 13.236 -33.355 6.955 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 13.846 -33.727 7.592 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.399 -33.777 7.151 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 15.348 -34.470 8.498 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 15.761 -35.191 8.022 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 16.030 -33.800 8.556 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 -2.371 -34.465 11.625 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 -3.296 -34.256 11.495 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 -1.917 -33.981 10.935 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 0.141 -18.321 20.419 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 -0.579 -17.881 19.968 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 -0.225 -18.572 21.268 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 2.608 -18.721 19.449 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 1.743 -18.649 19.853 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.553 -18.174 18.665 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -1.094 -36.422 9.603 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 -0.655 -35.811 9.012 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 -1.728 -35.884 10.077 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 -1.193 -20.474 10.501 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 -1.878 -20.512 9.833 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 -1.190 -19.561 10.789 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 0.767 -34.506 8.046 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 1.258 -35.136 7.518 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 1.390 -34.210 8.709 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 5.793 -34.213 10.503 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 5.971 -34.859 11.186 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 5.739 -33.379 10.970 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.625 -19.554 7.526 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 0.357 -19.267 8.399 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 1.396 -20.100 7.678 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 4.145 -26.287 38.401 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 3.405 -25.689 38.504 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 4.859 -25.733 38.085 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 2.553 -24.323 39.188 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 2.547 -23.444 38.810 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 1.699 -24.406 39.613 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 13.396 -24.782 40.294 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 13.536 -25.373 39.555 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 13.564 -23.909 39.938 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 4.167 -23.812 41.251 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 3.855 -23.030 41.707 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 3.517 -23.965 40.565 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 1.087 -27.614 40.480 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 1.157 -26.963 41.178 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 0.196 -27.511 40.145 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 -1.997 -25.547 39.305 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 -2.498 -25.575 38.490 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 -1.991 -26.453 39.615 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 15.951 -22.101 41.871 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 15.902 -23.056 41.834 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 15.125 -21.833 42.273 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 6.930 -22.527 40.747 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 7.017 -21.701 41.222 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 6.066 -22.857 40.996 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 0.252 -24.224 40.348 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 0.469 -24.585 41.208 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 -0.603 -24.598 40.138 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 7.597 -29.976 42.656 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 7.034 -30.680 42.976 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 8.423 -30.096 43.123 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 0.831 -25.759 42.586 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 1.564 -25.505 43.147 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 0.051 -25.555 43.101 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 7.551 -25.567 40.660 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 7.205 -25.948 41.466 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 7.351 -24.633 40.731 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 -1.836 -27.995 40.507 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -1.613 -28.413 41.339 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 -2.438 -28.608 40.085 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 5.181 -28.478 42.720 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 4.885 -28.644 41.825 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 6.112 -28.698 42.710 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 9.801 -23.105 40.610 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 8.900 -22.922 40.342 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 9.835 -22.846 41.531 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 5.473 -21.126 38.488 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 5.836 -20.271 38.255 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.005 -21.418 39.229 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 11.676 -20.475 40.658 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 11.074 -21.030 40.163 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 11.957 -19.808 40.032 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 -0.551 -21.437 38.500 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 -0.334 -22.369 38.469 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 -0.304 -21.163 39.384 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 9.834 -22.251 43.202 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 9.483 -23.107 43.445 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 10.560 -22.108 43.809 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 5.222 -25.770 43.240 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 4.894 -25.499 42.382 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 5.374 -26.711 43.152 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -0.601 -28.540 43.227 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -0.193 -29.397 43.106 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -0.861 -28.525 44.148 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 3.346 -29.531 40.601 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 2.728 -28.856 40.882 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 3.690 -29.210 39.768 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 8.366 -27.060 43.879 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 9.319 -26.976 43.851 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 8.206 -27.771 44.498 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 3.686 -32.176 41.684 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 3.836 -32.905 41.081 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 3.688 -31.399 41.125 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 5.680 -28.367 39.416 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 6.431 -28.523 38.843 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 5.341 -27.515 39.140 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 2.164 -30.978 43.595 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 1.397 -31.510 43.385 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 2.843 -31.288 42.996 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 6.168 -32.028 43.171 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 5.932 -32.248 44.073 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 5.385 -32.235 42.662 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 10.518 -34.267 44.252 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 10.421 -35.219 44.246 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 10.196 -33.998 45.113 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 0.345 -33.057 43.300 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 0.556 -33.764 42.689 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 0.233 -33.495 44.144 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 5.479 -35.373 44.333 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 5.348 -35.849 43.512 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 4.880 -34.629 44.277 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 15.225 -20.004 39.776 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 14.738 -20.739 39.405 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 15.774 -20.397 40.454 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 13.676 -24.214 44.414 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 12.810 -24.319 44.808 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 14.052 -23.455 44.861 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 15.130 -25.119 36.700 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 15.964 -25.497 36.419 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 15.242 -24.176 36.581 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 13.617 -22.241 39.007 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 12.969 -21.916 39.632 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.099 -22.681 38.332 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 -2.209 -32.034 42.466 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 -1.290 -32.156 42.702 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 -2.659 -32.784 42.855 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 15.792 -36.502 44.343 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 16.142 -37.156 43.737 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.939 -35.665 43.903 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 2.739 -21.577 39.228 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 2.314 -20.768 38.945 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 3.644 -21.492 38.926 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 7.050 -20.178 42.187 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 7.235 -20.512 43.065 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 7.897 -19.869 41.865 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 9.395 -18.893 41.431 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 10.072 -19.525 41.191 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 9.717 -18.491 42.239 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 0.141 -18.321 39.275 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -0.579 -17.881 38.824 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -0.225 -18.572 40.124 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 2.608 -18.721 38.305 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 1.743 -18.649 38.709 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 2.553 -18.174 37.521 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 7.319 -18.833 37.481 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 6.862 -18.304 36.827 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.482 -18.230 38.206 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 9.646 -19.955 38.426 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 8.742 -19.790 38.160 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.075 -19.102 38.360 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 12.251 -18.385 38.721 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 12.069 -17.469 38.510 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 12.427 -18.795 37.874 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 13.598 -20.950 42.584 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 12.816 -21.136 42.064 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 13.526 -20.021 42.801 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.923 -29.362 45.961 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 8.624 -29.340 46.612 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.225 -29.990 45.305 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 11.275 -27.610 49.874 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 10.543 -27.382 50.447 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 11.722 -28.324 50.329 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 10.146 -28.448 47.559 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 10.725 -28.298 48.306 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 10.560 -27.977 46.836 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 13.844 -36.698 47.372 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 12.945 -36.559 47.667 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 14.096 -35.867 46.970 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 15.034 -22.332 45.749 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 15.107 -21.393 45.919 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 15.939 -22.637 45.692 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 11.623 -27.415 45.189 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 11.665 -27.638 44.259 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 12.472 -27.017 45.379 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 7.196 -33.539 45.859 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 6.942 -33.520 46.782 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 6.939 -34.411 45.558 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 4.078 -33.094 44.960 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 3.647 -33.539 45.690 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.360 -32.722 44.448 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 9.929 -32.937 46.478 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 8.991 -32.825 46.327 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 10.226 -32.080 46.784 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 10.647 -31.070 48.139 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 11.539 -31.207 48.458 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 10.704 -30.279 47.602 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 11.220 -24.098 46.119 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 11.573 -24.478 46.923 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 10.271 -24.191 46.205 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 12.086 -25.425 48.345 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 11.809 -26.153 48.901 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 13.013 -25.306 48.551 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 9.317 -33.849 48.908 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 9.537 -33.377 48.105 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 9.875 -33.454 49.579 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 3.058 -33.977 47.369 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 2.975 -33.088 47.715 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 3.948 -34.242 47.600 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 8.260 -24.349 44.531 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 7.992 -24.169 45.432 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 8.054 -25.275 44.400 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 5.128 -29.181 45.364 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 4.948 -29.335 44.436 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 6.079 -29.073 45.408 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 14.977 -25.957 48.784 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 15.827 -25.536 48.912 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 14.982 -26.697 49.392 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 15.371 -27.904 50.608 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 14.645 -28.383 51.006 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 15.952 -27.698 51.340 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 13.158 -29.383 51.171 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 13.008 -30.328 51.151 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 12.804 -29.102 52.015 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 12.868 -31.800 49.633 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 13.148 -32.707 49.758 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 13.627 -31.366 49.244 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 13.482 -34.537 49.682 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.664 -34.986 50.507 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 12.882 -35.122 49.218 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.348 -34.470 46.210 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 15.761 -35.191 45.734 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 16.030 -33.800 46.268 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 -1.094 -36.422 47.315 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 -0.655 -35.811 46.724 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 -1.728 -35.884 47.789 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 11.559 -36.237 48.667 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 10.856 -35.623 48.457 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 11.114 -37.075 48.798 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 0.767 -34.506 45.758 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 1.258 -35.136 45.230 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 1.390 -34.210 46.421 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 5.793 -34.213 48.215 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 5.971 -34.859 48.898 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 5.739 -33.379 48.682 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 15.133 -14.919 -0.412 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 15.182 -14.309 0.324 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 15.559 -14.458 -1.135 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 9.611 -12.126 -0.945 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 9.754 -13.073 -0.925 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 9.505 -11.919 -1.874 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 10.488 -13.894 -5.272 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 11.134 -14.223 -4.647 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 10.998 -13.376 -5.895 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 15.525 -13.441 1.824 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 14.836 -12.783 1.729 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 15.540 -13.638 2.761 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 12.252 -14.603 -3.291 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 12.037 -15.369 -2.759 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 12.908 -14.131 -2.778 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 5.602 -17.801 -2.146 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 5.485 -18.750 -2.200 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 4.747 -17.469 -1.873 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 11.172 -10.580 2.374 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 11.252 -9.817 2.946 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 10.571 -10.301 1.683 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 13.103 -11.752 4.639 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 12.696 -11.271 3.919 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 13.144 -12.657 4.332 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 2.871 -16.898 -1.368 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 2.010 -16.985 -1.776 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 2.849 -16.042 -0.941 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 7.597 -11.120 4.944 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 7.034 -11.824 5.264 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 8.423 -11.240 5.411 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 9.499 -11.849 -3.730 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 9.304 -11.244 -4.445 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 9.681 -12.683 -4.165 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 8.763 -10.211 0.941 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 9.087 -10.842 0.298 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 8.323 -10.746 1.602 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 5.487 -13.108 0.026 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 4.652 -12.654 0.136 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 6.011 -12.832 0.778 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 7.053 -12.279 2.360 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 7.172 -11.705 3.117 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 7.708 -12.967 2.475 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 3.686 -13.320 3.972 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 3.836 -14.049 3.369 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 3.688 -12.543 3.413 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 4.098 -14.950 1.464 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 4.634 -14.499 0.812 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 3.246 -15.058 1.042 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 10.096 -11.696 6.732 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 10.288 -12.627 6.621 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 10.953 -11.271 6.722 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 11.412 -8.907 4.810 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 11.131 -8.198 4.232 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 12.355 -8.980 4.659 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 4.904 -17.494 1.896 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 4.806 -16.547 1.790 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 4.161 -17.866 1.420 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 6.168 -13.172 5.459 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 5.932 -13.392 6.361 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 5.385 -13.379 4.950 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 5.126 -18.200 4.567 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 5.838 -18.840 4.553 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 5.025 -17.933 3.653 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 5.479 -16.517 6.621 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 5.348 -16.993 5.800 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 4.880 -15.773 6.565 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 14.014 -8.557 4.242 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 14.597 -9.291 4.433 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 14.578 -7.785 4.288 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 15.511 -10.654 4.926 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 14.648 -11.033 4.761 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 16.115 -11.393 4.852 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 13.480 -12.363 -1.499 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 14.413 -12.151 -1.533 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 13.245 -12.261 -0.576 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 13.509 -11.626 1.277 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 12.666 -11.358 1.643 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 13.952 -10.804 1.066 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 7.743 -15.998 -2.878 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 7.068 -16.627 -2.623 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 8.307 -16.482 -3.481 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 12.885 -17.891 -2.766 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 13.489 -17.343 -3.267 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 12.016 -17.571 -3.006 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 14.612 -16.752 -4.432 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 15.224 -17.266 -4.959 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 14.995 -15.874 -4.409 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 10.206 -17.407 -3.594 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 10.282 -17.312 -4.543 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 9.930 -18.315 -3.465 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 0.027 -16.850 4.461 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 -0.339 -17.615 4.904 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 0.940 -16.821 4.748 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 2.000 -17.499 5.997 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.899 -17.773 5.812 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 1.614 -18.242 6.461 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 9.148 -8.208 13.758 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 9.237 -7.264 13.626 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 8.509 -8.483 13.100 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 8.081 -8.953 17.177 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 8.043 -9.599 17.882 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 7.758 -9.419 16.406 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 9.611 -12.126 17.911 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 9.754 -13.073 17.931 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 9.505 -11.919 16.982 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 2.766 -14.025 15.183 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 2.809 -13.165 14.765 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 2.308 -14.577 14.550 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 1.576 -15.107 19.257 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 1.357 -14.577 18.491 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 0.908 -14.880 19.905 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 1.170 -13.215 17.210 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 1.783 -12.582 17.583 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 1.682 -13.687 16.553 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 12.299 -4.174 17.827 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 11.357 -4.116 17.988 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 12.575 -3.268 17.690 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.396 -5.926 21.438 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 13.536 -6.517 20.699 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 13.564 -5.053 21.082 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 7.869 -8.964 11.210 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 7.157 -8.429 10.859 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.560 -8.908 10.550 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 7.923 -10.506 8.249 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 8.624 -10.484 8.900 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 8.225 -11.134 7.593 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 11.275 -8.754 12.162 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 10.543 -8.526 12.735 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 11.722 -9.468 12.617 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 11.172 -10.580 21.230 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 11.252 -9.817 21.802 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 10.571 -10.301 20.539 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 10.146 -9.592 9.847 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 10.725 -9.442 10.594 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 10.560 -9.121 9.124 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 15.951 -3.245 23.015 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.902 -4.200 22.978 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 15.125 -2.977 23.417 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 13.103 -11.752 23.495 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 12.696 -11.271 22.775 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 13.144 -12.657 23.188 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 2.871 -16.898 17.488 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 2.010 -16.985 17.080 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 2.849 -16.042 17.915 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 11.623 -8.559 7.477 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 11.665 -8.782 6.547 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 12.472 -8.161 7.667 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 2.962 -11.932 18.583 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 2.320 -11.973 19.292 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 2.999 -11.006 18.345 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 2.959 -11.711 13.495 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 2.066 -12.052 13.436 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 3.410 -12.088 12.739 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 8.495 -11.295 12.312 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 8.086 -10.480 12.020 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 9.215 -11.435 11.697 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 7.597 -11.120 23.800 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 7.034 -11.824 24.120 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 8.423 -11.240 24.267 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 9.499 -11.849 15.126 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 9.304 -11.244 14.411 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.681 -12.683 14.691 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 0.712 -11.612 20.450 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 0.674 -11.212 21.318 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 0.221 -12.429 20.540 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 4.078 -14.238 7.248 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 3.647 -14.683 7.978 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 3.360 -13.866 6.736 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 -1.405 -13.750 9.724 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 -0.931 -13.159 9.139 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 -2.123 -13.219 10.071 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 8.763 -10.211 19.797 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 9.087 -10.842 19.154 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 8.323 -10.746 20.458 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 5.541 -14.284 14.581 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 4.630 -14.227 14.870 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 6.046 -14.344 15.392 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 0.369 -12.655 13.408 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 -0.520 -12.555 13.068 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 0.665 -13.497 13.062 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 4.022 -12.655 11.064 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 4.954 -12.526 11.242 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 3.807 -11.985 10.415 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 2.696 -11.460 8.631 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 2.154 -11.840 7.940 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 3.530 -11.266 8.202 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 6.861 -11.496 16.468 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 7.425 -12.043 15.921 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 6.713 -12.018 17.257 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 5.487 -13.108 18.882 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 4.652 -12.654 18.992 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 6.011 -12.832 19.634 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 13.181 -7.762 19.353 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 13.823 -7.305 18.810 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 12.351 -7.649 18.891 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 10.647 -12.214 10.427 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 11.539 -12.351 10.746 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 10.704 -11.423 9.890 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 5.181 -9.622 23.864 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 4.885 -9.788 22.969 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 6.112 -9.842 23.854 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 10.988 -8.410 17.608 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 10.060 -8.642 17.581 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 11.439 -9.187 17.278 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 -0.202 -14.386 21.209 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 -1.095 -14.047 21.142 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 -0.301 -15.241 21.627 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 12.086 -6.569 10.633 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 11.809 -7.297 11.189 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 13.013 -6.450 10.839 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 6.517 -13.265 12.031 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 7.329 -12.761 12.077 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 6.272 -13.410 12.945 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 13.257 -14.372 22.051 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 12.341 -14.109 21.963 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 13.593 -14.375 21.154 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.859 -10.621 16.147 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 11.062 -11.036 15.818 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 12.304 -11.312 16.638 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 0.441 -17.247 16.506 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 0.212 -17.188 15.579 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 -0.002 -18.039 16.813 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.957 -6.998 21.767 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.702 -6.410 21.647 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 10.200 -6.416 21.830 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 -0.601 -9.684 24.371 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 -0.193 -10.541 24.250 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 -0.861 -9.669 25.292 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 3.346 -10.675 21.745 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 2.728 -10.000 22.026 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 3.690 -10.354 20.912 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.128 -10.325 7.652 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 4.948 -10.479 6.724 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 6.079 -10.217 7.696 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 8.366 -8.204 25.023 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 9.319 -8.120 24.995 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 8.206 -8.915 25.642 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 14.518 -7.970 7.097 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 14.245 -8.395 6.284 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 14.558 -7.039 6.880 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 5.680 -9.511 20.560 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 6.431 -9.667 19.987 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.341 -8.659 20.284 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 11.412 -8.907 23.666 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 11.131 -8.198 23.088 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 12.355 -8.980 23.515 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 13.676 -5.358 25.558 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 12.810 -5.463 25.952 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 14.052 -4.599 26.005 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 14.977 -7.101 11.072 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 15.827 -6.680 11.200 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 14.982 -7.841 11.680 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 15.371 -9.048 12.896 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 14.645 -9.527 13.294 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 15.952 -8.842 13.628 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 15.130 -6.263 17.844 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 15.964 -6.641 17.563 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 15.242 -5.320 17.725 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 13.617 -3.385 20.151 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 12.969 -3.060 20.776 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 13.099 -3.825 19.476 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 15.639 -9.147 9.287 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 15.118 -8.790 8.568 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 15.606 -8.472 9.965 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 13.158 -10.527 13.459 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 13.008 -11.472 13.439 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 12.804 -10.246 14.303 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 -2.209 -13.178 23.610 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 -1.290 -13.300 23.846 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 -2.659 -13.928 23.999 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 -0.988 -14.866 16.501 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 -0.543 -15.658 16.803 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 -0.522 -14.150 16.932 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 -2.371 -15.609 11.625 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 -3.296 -15.400 11.495 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 -1.917 -15.125 10.935 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 -2.407 -16.871 19.969 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 -3.072 -17.117 20.612 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 -2.850 -16.249 19.392 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 0.069 -17.364 13.800 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 -0.708 -17.598 13.292 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 0.600 -18.161 13.808 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 -1.094 -17.566 9.603 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 -0.655 -16.955 9.012 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 -1.728 -17.028 10.077 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 0.767 -15.650 8.046 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 1.258 -16.280 7.518 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 1.390 -15.354 8.709 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 9.148 -8.208 32.614 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 9.237 -7.264 32.482 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 8.509 -8.483 31.956 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 -2.017 -11.228 31.554 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 -2.465 -10.382 31.536 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 -2.578 -11.808 31.039 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 15.133 -14.919 37.300 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 15.182 -14.309 38.036 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 15.559 -14.458 36.577 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 9.611 -12.126 36.767 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 9.754 -13.073 36.787 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 9.505 -11.919 35.838 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 2.766 -14.025 34.039 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 2.809 -13.165 33.621 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 2.308 -14.577 33.406 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 15.525 -13.441 39.536 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 14.836 -12.783 39.441 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 15.540 -13.638 40.473 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 1.576 -15.107 38.113 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 1.357 -14.577 37.347 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 0.908 -14.880 38.761 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 1.170 -13.215 36.066 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 1.783 -12.582 36.439 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 1.682 -13.687 35.409 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.599 -15.888 38.100 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 11.863 -15.277 38.062 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 13.283 -15.473 37.574 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 7.869 -8.964 30.066 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 7.157 -8.429 29.715 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.560 -8.908 29.406 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 7.923 -10.506 27.105 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 8.624 -10.484 27.756 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 8.225 -11.134 26.449 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.275 -8.754 31.018 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 10.543 -8.526 31.591 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 11.722 -9.468 31.473 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 10.146 -9.592 28.703 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 10.725 -9.442 29.450 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 10.560 -9.121 27.980 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 1.910 -9.054 30.490 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 1.618 -8.286 29.999 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 1.236 -9.714 30.327 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.034 -3.476 26.893 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 15.107 -2.537 27.063 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 15.939 -3.781 26.836 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 2.871 -16.898 36.344 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 2.010 -16.985 35.936 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 2.849 -16.042 36.771 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 7.534 -17.176 39.718 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 7.954 -17.591 40.471 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 6.601 -17.354 39.835 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 11.623 -8.559 26.333 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 11.665 -8.782 25.403 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 12.472 -8.161 26.523 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 2.959 -11.711 32.351 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 2.066 -12.052 32.292 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 3.410 -12.088 31.595 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 8.495 -11.295 31.168 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 8.086 -10.480 30.876 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 9.215 -11.435 30.553 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 9.499 -11.849 33.982 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 9.304 -11.244 33.267 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 9.681 -12.683 33.547 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 -2.680 -14.496 33.156 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 -2.049 -14.525 33.876 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 -2.230 -14.921 32.426 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 -1.405 -13.750 28.580 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 -0.931 -13.159 27.995 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 -2.123 -13.219 28.927 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 5.541 -14.284 33.437 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 4.630 -14.227 33.726 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 6.046 -14.344 34.248 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 0.369 -12.655 32.264 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 -0.520 -12.555 31.924 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 0.665 -13.497 31.918 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 4.022 -12.655 29.920 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 4.954 -12.526 30.098 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 3.807 -11.985 29.271 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 9.946 -15.049 36.701 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 9.269 -14.918 37.365 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.460 -15.204 35.891 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 2.696 -11.460 27.487 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 2.154 -11.840 26.796 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 3.530 -11.266 27.058 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 -0.714 -9.220 27.184 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 -0.098 -8.593 27.563 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 -1.576 -8.904 27.455 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 12.086 -6.569 29.489 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 11.809 -7.297 30.045 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 13.013 -6.450 29.695 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 8.533 -14.645 38.955 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 9.231 -14.571 39.605 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 8.152 -15.509 39.110 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 13.257 -14.372 40.907 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 12.341 -14.109 40.819 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 13.593 -14.375 40.010 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.859 -10.621 35.003 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 11.062 -11.036 34.674 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.304 -11.312 35.494 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 -0.367 -12.029 26.689 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 -0.412 -11.090 26.868 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 -1.255 -12.265 26.419 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 4.057 -8.568 28.245 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 3.598 -9.052 28.931 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 4.312 -9.236 27.609 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 5.128 -10.325 26.508 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 4.948 -10.479 25.580 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 6.079 -10.217 26.552 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 14.518 -7.970 25.953 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 14.245 -8.395 25.140 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 14.558 -7.039 25.736 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 4.098 -14.950 39.176 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 4.634 -14.499 38.524 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 3.246 -15.058 38.754 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 4.904 -17.494 39.608 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 4.806 -16.547 39.502 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 4.161 -17.866 39.132 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.977 -7.101 29.928 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 15.827 -6.680 30.056 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.982 -7.841 30.536 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 15.371 -9.048 31.752 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 14.645 -9.527 32.150 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 15.952 -8.842 32.484 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 13.158 -10.527 32.315 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 13.008 -11.472 32.295 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 12.804 -10.246 33.159 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 13.480 -12.363 36.213 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 14.413 -12.151 36.179 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 13.245 -12.261 37.136 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 13.509 -11.626 38.989 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 12.666 -11.358 39.355 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 13.952 -10.804 38.778 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 -0.988 -14.866 35.357 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 -0.543 -15.658 35.659 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 -0.522 -14.150 35.788 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 -2.371 -15.609 30.481 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 -3.296 -15.400 30.351 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 -1.917 -15.125 29.791 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 -2.407 -16.871 38.825 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 -3.072 -17.117 39.468 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 -2.850 -16.249 38.248 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 14.313 -17.447 40.511 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 13.500 -17.122 40.123 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 14.546 -18.207 39.978 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 7.743 -15.998 34.834 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 7.068 -16.627 35.089 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.307 -16.482 34.231 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 19.305 -47.050 18.770 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 19.347 -47.676 19.494 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 20.008 -46.427 18.952 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 27.754 -38.621 15.691 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 28.374 -39.298 15.418 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 27.546 -38.839 16.599 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 25.326 -44.232 17.583 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 25.630 -44.918 16.989 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 26.048 -44.114 18.201 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 23.001 -45.143 19.545 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 22.261 -44.545 19.648 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 23.715 -44.589 19.229 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 17.530 -43.508 11.114 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 17.258 -43.279 10.225 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 17.575 -42.670 11.574 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 21.776 -45.836 14.045 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 21.446 -46.206 13.226 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 22.364 -46.506 14.391 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 22.143 -47.067 17.678 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 22.708 -46.946 16.915 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 22.462 -46.430 18.317 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 28.452 -41.564 18.412 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 28.211 -40.902 19.060 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 28.254 -42.398 18.837 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 23.023 -42.668 22.395 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 22.711 -41.886 22.851 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 22.373 -42.821 21.709 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 19.943 -46.470 21.624 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 20.013 -45.819 22.322 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 19.052 -46.367 21.289 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 26.728 -40.567 13.282 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 27.202 -40.272 14.060 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 26.165 -39.829 13.049 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 26.200 -37.611 11.697 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 26.125 -37.732 10.751 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 26.233 -36.661 11.816 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 32.089 -37.089 24.122 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 32.289 -36.665 23.287 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 32.745 -36.746 24.729 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 26.407 -44.423 21.804 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 26.061 -44.804 22.610 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 26.207 -43.489 21.875 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 20.012 -45.312 16.336 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 20.757 -45.314 15.735 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 20.090 -46.136 16.818 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 17.020 -46.851 21.651 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 17.243 -47.269 22.483 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 16.418 -47.464 21.229 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 28.657 -41.961 21.754 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 27.756 -41.778 21.486 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 28.691 -41.702 22.675 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 22.387 -41.794 13.741 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 22.914 -41.021 13.540 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 21.507 -41.569 13.439 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 23.814 -44.131 13.317 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 23.573 -43.206 13.359 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 23.074 -44.590 13.713 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 22.498 -39.109 12.862 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 21.548 -39.004 12.914 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 22.849 -38.289 13.207 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 27.873 -43.883 19.333 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 27.447 -44.110 20.159 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 28.454 -44.621 19.150 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 30.532 -39.331 21.802 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 29.930 -39.886 21.307 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 30.813 -38.664 21.176 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 23.180 -39.531 10.041 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 23.341 -38.731 9.540 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 22.983 -39.224 10.926 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 20.173 -42.405 8.717 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 20.765 -41.706 8.993 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 20.632 -42.838 7.998 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 28.690 -41.107 24.346 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 28.339 -41.963 24.589 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 29.416 -40.964 24.953 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 24.078 -44.626 24.384 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 23.750 -44.355 23.526 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 24.230 -45.567 24.296 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 18.255 -47.396 24.371 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 18.663 -48.253 24.250 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 17.995 -47.381 25.292 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 23.882 -37.346 8.653 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 24.815 -37.188 8.797 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 23.618 -36.671 8.028 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 17.450 -42.710 8.136 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 18.364 -42.631 8.409 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 17.457 -43.397 7.469 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 17.049 -46.161 17.469 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 17.233 -46.243 16.534 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 17.898 -46.285 17.893 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 28.251 -37.749 22.575 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 28.928 -38.381 22.335 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 28.573 -37.347 23.383 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 28.502 -38.811 19.570 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 27.598 -38.646 19.304 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 28.931 -37.958 19.504 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 31.107 -37.241 19.865 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 30.925 -36.325 19.654 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 31.283 -37.651 19.018 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 19.481 -38.410 7.526 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 19.213 -38.123 8.399 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 20.252 -38.956 7.678 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 28.004 -45.920 32.614 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 28.093 -44.976 32.482 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 27.365 -46.195 31.956 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 19.305 -47.050 37.626 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 19.347 -47.676 38.350 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 20.008 -46.427 37.808 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 30.643 -43.726 34.335 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 30.202 -44.446 34.785 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 30.630 -43.005 34.965 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 16.839 -48.940 31.554 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 16.391 -48.094 31.536 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 16.278 -49.520 31.039 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 27.754 -38.621 34.547 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 28.374 -39.298 34.274 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 27.546 -38.839 35.455 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 25.326 -44.232 36.439 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 25.630 -44.918 35.845 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 26.048 -44.114 37.057 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 18.242 -49.340 34.801 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 18.896 -49.890 35.233 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 18.266 -49.614 33.885 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 23.398 -47.790 34.017 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 24.014 -48.316 34.526 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 22.812 -48.430 33.613 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 27.801 -43.319 31.657 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 27.505 -43.641 30.806 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 27.477 -42.419 31.699 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 23.001 -45.143 38.401 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 22.261 -44.545 38.504 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 23.715 -44.589 38.085 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 20.026 -50.927 36.066 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 20.639 -50.294 36.439 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 20.538 -51.399 35.409 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 29.407 -40.105 33.308 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 29.832 -40.812 32.823 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 29.724 -39.304 32.891 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 30.566 -42.204 31.817 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 30.309 -42.894 31.205 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 30.637 -42.647 32.662 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 26.725 -46.676 30.066 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 26.013 -46.141 29.715 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 27.416 -46.620 29.406 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 22.143 -47.067 36.534 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 22.708 -46.946 35.771 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 22.462 -46.430 37.173 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 28.452 -41.564 37.268 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 28.211 -40.902 37.916 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 28.254 -42.398 37.693 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 23.023 -42.668 41.251 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 22.711 -41.886 41.707 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 22.373 -42.821 40.565 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 19.943 -46.470 40.480 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 20.013 -45.819 41.178 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 19.052 -46.367 40.145 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 20.766 -46.766 30.490 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 20.474 -45.998 29.999 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 20.092 -47.426 30.327 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 16.859 -44.403 39.305 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.358 -44.431 38.490 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 16.865 -45.309 39.615 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 25.786 -41.383 40.747 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 25.873 -40.557 41.222 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 24.922 -41.713 40.996 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 29.302 -38.457 27.556 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 29.677 -39.201 27.085 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 29.306 -38.727 28.474 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 28.971 -38.531 30.305 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 28.036 -38.431 30.484 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 29.251 -39.240 30.883 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 19.108 -43.080 40.348 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 19.325 -43.441 41.208 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 18.253 -43.454 40.138 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 21.818 -49.644 37.439 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 21.176 -49.685 38.148 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 21.855 -48.718 37.201 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 21.815 -49.423 32.351 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 20.922 -49.764 32.292 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 22.266 -49.800 31.595 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 19.568 -49.324 39.306 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 19.530 -48.924 40.174 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 19.077 -50.141 39.396 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 19.225 -50.367 32.264 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 18.336 -50.267 31.924 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 19.521 -51.209 31.918 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 32.089 -37.089 42.978 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 32.289 -36.665 42.143 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 32.745 -36.746 43.585 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 19.687 -44.615 42.586 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 20.420 -44.361 43.147 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 18.907 -44.411 43.101 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 24.887 -44.607 29.423 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 24.143 -45.114 29.100 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 24.753 -44.558 30.369 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 26.407 -44.423 40.660 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 26.061 -44.804 41.466 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 26.207 -43.489 40.731 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 27.013 -43.148 28.448 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 26.718 -42.322 28.830 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 26.310 -43.768 28.644 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 17.020 -46.851 40.507 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 17.243 -47.269 41.339 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.418 -47.464 40.085 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 28.657 -41.961 40.610 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 27.756 -41.778 40.342 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 28.691 -41.702 41.531 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 18.142 -46.932 27.184 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 18.758 -46.305 27.563 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.280 -46.616 27.455 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 27.873 -43.883 38.189 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 27.447 -44.110 39.015 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 28.454 -44.621 38.006 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 30.076 -42.954 27.263 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 30.429 -43.334 28.067 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 29.127 -43.047 27.349 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 30.942 -44.281 29.489 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 30.665 -45.009 30.045 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 31.869 -44.162 29.695 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 19.557 -45.019 28.676 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 18.871 -44.667 29.243 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.080 -44.256 28.430 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 22.113 -39.487 44.473 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 22.881 -39.946 44.814 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 22.092 -39.713 43.543 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 30.809 -40.162 26.082 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 31.092 -40.956 26.535 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 31.549 -39.929 25.521 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 17.423 -44.596 43.807 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 17.567 -45.498 43.521 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 16.650 -44.310 43.319 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 21.764 -44.252 25.939 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 21.828 -45.046 26.470 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 22.417 -44.371 25.250 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 24.078 -44.626 43.240 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 23.750 -44.355 42.382 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 24.230 -45.567 43.152 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 27.116 -43.205 25.675 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 26.848 -43.025 26.576 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 26.910 -44.131 25.544 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 22.913 -46.280 28.245 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 22.454 -46.764 28.931 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 23.168 -46.948 27.609 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 16.172 -49.579 36.426 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 16.664 -49.800 35.636 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 16.534 -48.738 36.707 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 31.256 -38.337 32.426 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 31.909 -38.684 31.818 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 31.767 -37.848 33.072 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 18.641 -41.408 42.969 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 17.820 -41.233 42.509 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 18.389 -41.481 43.890 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 25.906 -39.034 42.187 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 26.091 -39.368 43.065 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 26.753 -38.725 41.865 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 28.251 -37.749 41.431 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 28.928 -38.381 41.191 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 28.573 -37.347 42.239 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 28.502 -38.811 38.426 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 27.598 -38.646 38.160 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 28.931 -37.958 38.360 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 26.527 -38.120 27.754 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 27.393 -37.754 27.576 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 26.280 -38.560 26.941 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 29.302 -38.457 46.412 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 29.677 -39.201 45.941 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 29.306 -38.727 47.330 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 24.167 -41.842 44.566 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 24.406 -42.590 44.018 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 23.898 -42.230 45.398 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 23.180 -39.531 47.753 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 23.341 -38.731 47.252 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 22.983 -39.224 48.638 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 26.205 -39.979 44.704 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 25.561 -40.610 45.026 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 26.967 -40.510 44.472 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 21.764 -44.252 44.795 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 21.828 -45.046 45.326 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 22.417 -44.371 44.106 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 23.882 -37.346 46.365 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 24.815 -37.188 46.509 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 23.618 -36.671 45.740 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 17.450 -42.710 45.848 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 18.364 -42.631 46.121 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 17.457 -43.397 45.181 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 26.527 -38.120 46.610 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 27.393 -37.754 46.432 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 26.280 -38.560 45.797 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 19.481 -38.410 45.238 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 19.213 -38.123 46.111 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 20.252 -38.956 45.390 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 20.229 -23.744 -1.551 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 19.859 -24.546 -1.920 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 21.170 -23.913 -1.504 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 27.754 -19.765 -3.165 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 28.374 -20.442 -3.438 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 27.546 -19.983 -2.257 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.326 -25.376 -1.273 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 25.630 -26.062 -1.867 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 26.048 -25.258 -0.655 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 23.001 -26.287 0.689 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 22.261 -25.689 0.792 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 23.715 -25.733 0.373 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 31.155 -23.030 -1.029 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 30.213 -22.972 -0.868 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 31.431 -22.124 -1.166 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 29.407 -21.249 -4.404 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 29.832 -21.956 -4.889 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 29.724 -20.448 -4.821 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 32.252 -24.782 2.582 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 32.392 -25.373 1.843 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 32.420 -23.909 2.226 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 23.143 -23.552 -2.130 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 23.048 -24.130 -2.887 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 23.872 -23.923 -1.634 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 28.452 -22.708 -0.444 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 28.211 -22.046 0.204 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 28.254 -23.542 -0.019 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 19.943 -27.614 2.768 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 20.013 -26.963 3.466 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 19.052 -27.511 2.433 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 26.728 -21.711 -5.574 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 27.202 -21.416 -4.796 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 26.165 -20.973 -5.807 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 16.859 -25.547 1.593 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 16.358 -25.575 0.778 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 16.865 -26.453 1.903 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 16.610 -22.767 -1.523 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 17.556 -22.911 -1.542 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 16.497 -21.983 -0.986 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 34.807 -22.101 4.159 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 34.758 -23.056 4.122 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 33.981 -21.833 4.561 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 26.200 -18.755 -7.159 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 26.125 -18.876 -8.105 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 26.233 -17.805 -7.040 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 19.854 -19.966 -5.378 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 20.006 -20.314 -4.499 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 19.003 -20.322 -5.633 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 19.108 -24.224 2.636 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 19.325 -24.585 3.496 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 18.253 -24.598 2.426 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 19.687 -25.759 4.874 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 20.420 -25.505 5.435 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 18.907 -25.555 5.389 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 26.407 -25.567 2.948 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 26.061 -25.948 3.754 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 26.207 -24.633 3.019 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 24.037 -28.478 5.008 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 23.741 -28.644 4.113 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 24.968 -28.698 4.998 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 28.657 -23.105 2.898 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 27.756 -22.922 2.630 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 28.691 -22.846 3.819 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 34.352 -25.060 4.102 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 33.500 -24.822 3.735 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 34.942 -25.077 3.349 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 22.387 -22.938 -5.115 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 22.914 -22.165 -5.316 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 21.507 -22.713 -5.417 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 22.498 -20.253 -5.994 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 21.548 -20.148 -5.942 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 22.849 -19.433 -5.649 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 27.873 -25.027 0.477 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 27.447 -25.254 1.303 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 28.454 -25.765 0.294 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 18.305 -21.437 0.788 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 18.522 -22.369 0.757 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 18.552 -21.163 1.672 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 31.802 -20.221 -1.087 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 31.646 -19.543 -1.744 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 32.734 -20.149 -0.884 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 17.423 -25.740 6.095 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 17.567 -26.642 5.809 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 16.650 -25.454 5.607 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 24.078 -25.770 5.528 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 23.750 -25.499 4.670 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 24.230 -26.711 5.440 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 29.813 -25.854 2.911 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 30.558 -25.266 2.791 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 29.056 -25.272 2.974 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 27.222 -27.060 6.167 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 28.175 -26.976 6.139 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 27.062 -27.771 6.786 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 24.536 -28.367 1.704 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 25.287 -28.523 1.131 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 24.197 -27.515 1.428 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 19.201 -33.057 5.588 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 19.412 -33.764 4.977 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 19.089 -33.495 6.432 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 16.969 -20.380 -3.838 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 16.635 -21.261 -3.666 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 17.191 -20.035 -2.974 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 34.518 -19.571 -0.858 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 34.496 -19.386 0.081 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 35.208 -19.002 -1.199 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 34.081 -20.004 2.064 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 33.594 -20.739 1.693 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 34.630 -20.397 2.742 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 32.532 -24.214 6.702 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 31.666 -24.319 7.096 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 32.908 -23.455 7.149 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 32.473 -22.241 1.295 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 31.825 -21.916 1.920 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 31.955 -22.681 0.620 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 16.647 -32.034 4.754 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 17.566 -32.156 4.990 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 16.197 -32.784 5.143 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 18.412 -19.698 -1.526 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 18.393 -20.123 -0.669 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 19.217 -20.016 -1.935 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 27.754 -19.765 15.691 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 28.374 -20.442 15.418 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 27.546 -19.983 16.599 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.326 -25.376 17.583 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.630 -26.062 16.989 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 26.048 -25.258 18.201 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 28.467 -30.982 17.911 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 28.610 -31.929 17.931 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 28.361 -30.775 16.982 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 23.398 -28.934 15.161 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 24.014 -29.460 15.670 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 22.812 -29.574 14.757 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 27.801 -24.463 12.801 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 27.505 -24.785 11.950 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 27.477 -23.563 12.843 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 29.407 -21.249 14.452 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 29.832 -21.956 13.967 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 29.724 -20.448 14.035 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 30.566 -23.348 12.961 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 30.309 -24.038 12.349 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 30.637 -23.791 13.806 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 23.143 -23.552 16.726 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 23.048 -24.130 15.969 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 23.872 -23.923 17.222 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 22.143 -28.211 17.678 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 22.708 -28.090 16.915 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 22.462 -27.574 18.317 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 28.452 -22.708 18.412 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 28.211 -22.046 19.060 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 28.254 -23.542 18.837 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 26.728 -21.711 13.282 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 27.202 -21.416 14.060 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 26.165 -20.973 13.049 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.766 -27.910 11.634 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.474 -27.142 11.143 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 20.092 -28.570 11.471 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 33.890 -22.332 8.037 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 33.963 -21.393 8.207 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 34.795 -22.637 7.980 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 25.786 -22.527 21.891 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 25.873 -21.701 22.366 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 24.922 -22.857 22.140 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 29.716 -32.276 21.716 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 29.202 -32.402 22.513 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 29.561 -31.364 21.471 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 30.479 -27.415 7.477 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 30.521 -27.638 6.547 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 31.328 -27.017 7.667 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 21.815 -30.567 13.495 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 20.922 -30.908 13.436 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 22.266 -30.944 12.739 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 26.453 -29.976 23.800 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 25.890 -30.680 24.120 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 27.279 -30.096 24.267 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.619 -29.067 19.797 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 27.943 -29.698 19.154 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 27.179 -29.602 20.458 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 24.397 -33.140 14.581 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 23.486 -33.083 14.870 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 24.902 -33.200 15.392 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.878 -31.511 11.064 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.810 -31.382 11.242 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.663 -30.841 10.415 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 28.802 -33.905 17.845 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 28.125 -33.774 18.509 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 28.316 -34.060 17.035 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 21.552 -30.316 8.631 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 21.010 -30.696 7.940 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 22.386 -30.122 8.202 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 25.717 -30.352 16.468 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 26.281 -30.899 15.921 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 25.569 -30.874 17.257 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 24.887 -25.751 10.567 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 24.143 -26.258 10.244 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.753 -25.702 11.513 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 26.407 -25.567 21.804 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 26.061 -25.948 22.610 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 26.207 -24.633 21.875 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 27.013 -24.292 9.592 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 26.718 -23.466 9.974 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 26.310 -24.912 9.788 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 32.684 -22.074 10.586 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 32.311 -22.900 10.896 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 32.961 -22.257 9.689 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 22.387 -22.938 13.741 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 22.914 -22.165 13.540 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 21.507 -22.713 13.439 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 18.142 -28.076 8.328 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 18.758 -27.449 8.707 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 17.280 -27.760 8.599 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 23.814 -25.275 13.317 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 23.573 -24.350 13.359 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 23.074 -25.734 13.713 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 24.329 -21.126 19.632 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 24.692 -20.271 19.399 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 24.861 -21.418 20.373 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 30.076 -24.098 8.407 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 30.429 -24.478 9.211 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 29.127 -24.191 8.493 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 34.580 -19.618 8.608 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 35.323 -19.032 8.468 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 33.885 -19.050 8.941 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 30.942 -25.425 10.633 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 30.665 -26.153 11.189 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 31.869 -25.306 10.839 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 23.104 -23.416 9.310 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 23.251 -23.936 10.100 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 23.101 -22.509 9.616 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 19.557 -26.163 9.820 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 18.871 -25.811 10.387 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.080 -25.400 9.574 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 27.389 -33.501 20.099 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 28.087 -33.427 20.749 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 27.008 -34.365 20.254 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 25.373 -32.121 12.031 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 26.185 -31.617 12.077 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 25.128 -32.266 12.945 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.909 -31.135 21.216 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 26.028 -30.561 21.973 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 26.564 -31.823 21.331 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 26.257 -35.040 12.969 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 25.910 -34.422 13.614 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 26.915 -34.539 12.488 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 23.180 -20.675 10.041 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 23.341 -19.875 9.540 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 22.983 -20.368 10.926 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.914 -33.977 9.657 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.831 -33.088 10.003 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.804 -34.242 9.888 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 20.173 -23.549 8.717 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.765 -22.850 8.993 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 20.632 -23.982 7.998 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.489 -30.885 7.833 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.444 -29.946 8.012 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 17.601 -31.121 7.563 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.764 -25.396 7.083 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.828 -26.190 7.614 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 22.417 -25.515 6.394 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 24.078 -25.770 24.384 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 23.750 -25.499 23.526 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 24.230 -26.711 24.296 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 27.116 -24.349 6.819 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 26.848 -24.169 7.720 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 26.910 -25.275 6.688 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.913 -27.424 9.389 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 22.454 -27.908 10.075 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 23.168 -28.092 8.753 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 27.222 -27.060 25.023 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 28.175 -26.976 24.995 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 27.062 -27.771 25.642 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.536 -28.367 20.560 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.287 -28.523 19.987 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 24.197 -27.515 20.284 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 28.952 -30.552 25.588 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 29.144 -31.483 25.477 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 29.809 -30.127 25.578 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 25.024 -32.028 24.315 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 24.788 -32.248 25.217 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.241 -32.235 23.806 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 27.740 -32.901 23.391 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 26.792 -32.869 23.523 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 28.052 -33.526 24.045 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 29.374 -34.267 25.396 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 29.277 -35.219 25.390 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 29.052 -33.998 26.257 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 31.256 -19.481 13.570 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 31.909 -19.828 12.962 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 31.767 -18.992 14.216 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 25.906 -20.178 23.331 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 26.091 -20.512 24.209 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 26.753 -19.869 23.009 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 28.251 -18.893 22.575 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 28.928 -19.525 22.335 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 28.573 -18.491 23.383 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 28.502 -19.955 19.570 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 27.598 -19.790 19.304 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.931 -19.102 19.504 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 26.599 -34.854 15.978 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 25.924 -35.483 16.233 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 27.163 -35.338 15.375 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.505 -36.293 13.613 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 24.379 -35.905 13.583 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 23.369 -36.508 14.536 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 29.062 -36.263 15.262 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 29.138 -36.168 14.313 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 28.786 -37.171 15.391 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 19.623 -34.506 8.046 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 20.114 -35.136 7.518 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 20.246 -34.210 8.709 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 24.649 -34.213 10.503 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 24.827 -34.859 11.186 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 24.595 -33.379 10.970 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 33.236 -19.701 11.578 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 33.042 -20.449 11.013 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 33.197 -18.943 10.994 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 29.278 -37.023 25.035 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 29.354 -37.449 25.889 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 30.171 -37.009 24.693 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 26.937 -27.809 36.033 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 26.899 -28.455 36.738 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 26.614 -28.275 35.262 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 19.305 -28.194 37.626 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 19.347 -28.820 38.350 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 20.008 -27.571 37.808 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 20.229 -23.744 36.161 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 19.859 -24.546 35.792 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 21.170 -23.913 36.208 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 28.467 -30.982 36.767 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 28.610 -31.929 36.787 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 28.361 -30.775 35.838 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 21.622 -32.881 34.039 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 21.665 -32.021 33.621 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 21.164 -33.433 33.406 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 29.344 -32.750 32.440 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 29.990 -33.079 33.065 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 29.854 -32.232 31.817 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 23.398 -28.934 34.017 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.014 -29.460 34.526 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 22.812 -29.574 33.613 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.001 -26.287 38.401 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 22.261 -25.689 38.504 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 23.715 -25.733 38.085 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 21.409 -24.323 39.188 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 21.403 -23.444 38.810 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 20.555 -24.406 39.613 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 26.725 -27.820 30.066 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 26.013 -27.285 29.715 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 27.416 -27.764 29.406 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 26.779 -29.362 27.105 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 27.480 -29.340 27.756 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 27.081 -29.990 26.449 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 30.028 -29.436 40.086 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 30.108 -28.673 40.658 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 29.427 -29.157 39.395 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 21.776 -26.980 32.901 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.446 -27.350 32.082 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 22.364 -27.650 33.247 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 22.143 -28.211 36.534 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 22.708 -28.090 35.771 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 22.462 -27.574 37.173 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 23.023 -23.812 41.251 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 22.711 -23.030 41.707 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 22.373 -23.965 40.565 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 29.002 -28.448 28.703 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 29.581 -28.298 29.450 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 29.416 -27.977 27.980 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 19.943 -27.614 40.480 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.013 -26.963 41.178 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 19.052 -27.511 40.145 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 16.859 -25.547 39.305 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 16.358 -25.575 38.490 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 16.865 -26.453 39.615 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 16.610 -22.767 36.189 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 17.556 -22.911 36.170 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 16.497 -21.983 36.726 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.200 -18.755 30.553 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 26.125 -18.876 29.607 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.233 -17.805 30.672 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 19.854 -19.966 32.334 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 20.006 -20.314 33.213 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 19.003 -20.322 32.079 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 31.959 -30.608 42.351 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 31.552 -30.127 41.631 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 32.000 -31.513 42.044 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 19.108 -24.224 40.348 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 19.325 -24.585 41.208 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 18.253 -24.598 40.138 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 29.716 -32.276 40.572 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 29.202 -32.402 41.369 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 29.561 -31.364 40.327 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.815 -30.567 32.351 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 20.922 -30.908 32.292 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.266 -30.944 31.595 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.351 -30.151 31.168 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.942 -29.336 30.876 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 28.071 -30.291 30.553 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 28.355 -30.705 33.982 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.160 -30.100 33.267 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 28.537 -31.539 33.547 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 27.619 -29.067 38.653 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 27.943 -29.698 38.010 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 27.179 -29.602 39.314 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.397 -33.140 33.437 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 23.486 -33.083 33.726 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.902 -33.200 34.248 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 28.802 -33.905 36.701 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 28.125 -33.774 37.365 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 28.316 -34.060 35.891 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 19.687 -25.759 42.586 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 20.420 -25.505 43.147 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 18.907 -25.555 43.101 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 25.717 -30.352 35.324 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 26.281 -30.899 34.777 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 25.569 -30.874 36.113 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 24.343 -31.964 37.738 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 23.508 -31.510 37.848 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 24.867 -31.688 38.490 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 24.887 -25.751 29.423 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 24.143 -26.258 29.100 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 24.753 -25.702 30.369 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 28.785 -32.937 27.622 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.847 -32.825 27.471 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 29.082 -32.080 27.928 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 26.407 -25.567 40.660 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 26.061 -25.948 41.466 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 26.207 -24.633 40.731 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 29.503 -31.070 29.283 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 30.395 -31.207 29.602 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 29.560 -30.279 28.746 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 20.012 -26.456 35.192 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 20.757 -26.458 34.591 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 20.090 -27.280 35.674 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 27.013 -24.292 28.448 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 26.718 -23.466 28.830 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 26.310 -24.912 28.644 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 22.387 -22.938 32.597 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 22.914 -22.165 32.396 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 21.507 -22.713 32.295 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 23.814 -25.275 32.173 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 23.573 -24.350 32.215 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 23.074 -25.734 32.569 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 22.498 -20.253 31.718 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 21.548 -20.148 31.770 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 22.849 -19.433 32.063 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 18.305 -21.437 38.500 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 18.522 -22.369 38.469 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 18.552 -21.163 39.384 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.167 -22.986 25.710 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.406 -23.734 25.162 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.898 -23.374 26.542 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.104 -23.416 28.166 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.251 -23.936 28.956 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 23.101 -22.509 28.472 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 27.389 -33.501 38.955 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 28.087 -33.427 39.605 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 27.008 -34.365 39.110 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 28.173 -33.849 30.052 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 28.393 -33.377 29.249 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 28.731 -33.454 30.723 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.842 -21.718 28.915 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 25.025 -21.221 28.968 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 26.371 -21.243 28.275 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.180 -20.675 28.897 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.341 -19.875 28.396 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 22.983 -20.368 29.782 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 32.113 -33.228 40.907 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 31.197 -32.965 40.819 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 32.449 -33.231 40.010 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 18.227 -22.163 31.523 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 17.395 -21.690 31.550 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 18.773 -21.653 30.924 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.205 -21.123 25.848 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.561 -21.754 26.170 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 26.967 -21.654 25.616 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 24.078 -25.770 43.240 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 23.750 -25.499 42.382 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 24.230 -26.711 43.152 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 27.116 -24.349 25.675 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 26.848 -24.169 26.576 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 26.910 -25.275 25.544 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 22.913 -27.424 28.245 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.454 -27.908 28.931 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.168 -28.092 27.609 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 27.222 -27.060 43.879 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 28.175 -26.976 43.851 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 27.062 -27.771 44.498 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.536 -28.367 39.416 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.287 -28.523 38.843 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.197 -27.515 39.140 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 28.952 -30.552 44.444 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 29.144 -31.483 44.333 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 29.809 -30.127 44.434 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 30.268 -27.763 42.522 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 29.987 -27.054 41.944 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 31.211 -27.836 42.371 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 29.374 -34.267 44.252 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 29.277 -35.219 44.246 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 29.052 -33.998 45.113 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 23.882 -18.490 27.509 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 24.815 -18.332 27.653 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 23.618 -17.815 26.884 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 17.049 -27.305 36.325 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 17.233 -27.387 35.390 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 17.898 -27.429 36.749 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 18.641 -22.552 42.969 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 17.820 -22.377 42.509 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 18.389 -22.625 43.890 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 18.997 -18.321 39.275 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 18.277 -17.881 38.824 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 18.631 -18.572 40.124 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 21.464 -18.721 38.305 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 20.599 -18.649 38.709 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 21.409 -18.174 37.521 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 20.553 -20.988 34.841 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.334 -21.904 35.010 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.377 -20.848 35.307 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 23.090 -20.518 35.689 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 23.303 -21.406 35.402 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 23.155 -20.552 36.644 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 26.599 -34.854 34.834 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 25.924 -35.483 35.089 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 27.163 -35.338 34.231 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 31.741 -36.747 34.946 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 32.345 -36.199 34.445 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 30.872 -36.427 34.706 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 29.062 -36.263 34.118 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 29.138 -36.168 33.169 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.786 -37.171 34.247 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 30.415 -36.237 29.811 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 29.712 -35.623 29.601 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 29.970 -37.075 29.942 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 29.278 -37.023 43.891 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 29.354 -37.449 44.745 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 30.171 -37.009 43.549 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 16.839 -30.084 50.410 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 16.391 -29.238 50.392 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 16.278 -30.664 49.895 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 17.530 -24.652 48.826 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 17.258 -24.423 47.937 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 17.575 -23.814 49.286 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.725 -27.820 48.922 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.013 -27.285 48.571 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.416 -27.764 48.262 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.779 -29.362 45.961 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 27.480 -29.340 46.612 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 27.081 -29.990 45.305 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 29.002 -28.448 47.559 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 29.581 -28.298 48.306 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 29.416 -27.977 46.836 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 20.766 -27.910 49.346 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 20.474 -27.142 48.855 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 20.092 -28.570 49.183 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 30.479 -27.415 45.189 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 30.521 -27.638 44.259 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 31.328 -27.017 45.379 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 27.351 -30.151 50.024 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 26.942 -29.336 49.732 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 28.071 -30.291 49.409 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 17.451 -32.606 47.436 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 17.925 -32.015 46.851 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 16.733 -32.075 47.783 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 22.878 -31.511 48.776 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 23.810 -31.382 48.954 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 22.663 -30.841 48.127 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 21.552 -30.316 46.343 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 21.010 -30.696 45.652 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 22.386 -30.122 45.914 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 28.785 -32.937 46.478 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 27.847 -32.825 46.327 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 29.082 -32.080 46.784 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 29.503 -31.070 48.139 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 30.395 -31.207 48.458 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 29.560 -30.279 47.602 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 19.557 -26.163 47.532 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 18.871 -25.811 48.099 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 20.080 -25.400 47.286 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 28.173 -33.849 48.908 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 28.393 -33.377 48.105 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 28.731 -33.454 49.579 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 25.373 -32.121 49.743 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 26.185 -31.617 49.789 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.128 -32.266 50.657 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.257 -35.040 50.681 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 25.910 -34.422 51.326 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.915 -34.539 50.200 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 21.914 -33.977 47.369 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 21.831 -33.088 47.715 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 22.804 -34.242 47.600 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 20.173 -23.549 46.429 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 20.765 -22.850 46.705 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 20.632 -23.982 45.710 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 21.764 -25.396 44.795 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 21.828 -26.190 45.326 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 22.417 -25.515 44.106 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 22.913 -27.424 47.101 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 22.454 -27.908 47.787 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 23.168 -28.092 46.465 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.984 -29.181 45.364 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 23.804 -29.335 44.436 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.935 -29.073 45.408 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 17.450 -23.854 45.848 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 18.364 -23.775 46.121 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 17.457 -24.541 45.181 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 32.844 -30.763 45.550 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 32.941 -30.096 44.870 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 32.704 -31.579 45.068 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 32.092 -33.355 44.667 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 32.702 -33.727 45.304 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 31.255 -33.777 44.863 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 16.485 -34.465 49.337 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 15.560 -34.256 49.207 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 16.939 -33.981 48.647 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 17.762 -36.422 47.315 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 18.201 -35.811 46.724 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 17.128 -35.884 47.789 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 19.623 -34.506 45.758 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.114 -35.136 45.230 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.246 -34.210 46.421 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 24.649 -34.213 48.215 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 24.827 -34.859 48.898 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.595 -33.379 48.682 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 28.004 -8.208 -5.098 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 28.093 -7.264 -5.230 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 27.365 -8.483 -5.756 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 19.305 -9.338 -0.086 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 19.347 -9.964 0.638 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 20.008 -8.715 0.096 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 30.643 -6.014 -3.377 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 30.202 -6.734 -2.927 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 30.630 -5.293 -2.747 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 25.326 -6.520 -1.273 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 25.630 -7.206 -1.867 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 26.048 -6.402 -0.655 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 33.989 -14.919 -0.412 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 34.038 -14.309 0.324 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 34.415 -14.458 -1.135 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 21.622 -14.025 -3.673 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 21.665 -13.165 -4.091 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 21.164 -14.577 -4.306 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 29.344 -13.894 -5.272 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 29.990 -14.223 -4.647 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 29.854 -13.376 -5.895 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 18.242 -11.628 -2.911 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 18.896 -12.178 -2.479 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 18.266 -11.902 -3.827 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 23.398 -10.078 -3.695 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.014 -10.604 -3.186 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 22.812 -10.718 -4.099 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 23.001 -7.431 0.689 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 22.261 -6.833 0.792 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 23.715 -6.877 0.373 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 20.026 -13.215 -1.646 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 20.639 -12.582 -1.273 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 20.538 -13.687 -2.303 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 21.409 -5.467 1.476 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 21.403 -4.588 1.098 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 20.555 -5.550 1.901 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 31.155 -4.174 -1.029 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 30.213 -4.116 -0.868 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 31.431 -3.268 -1.166 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 32.252 -5.926 2.582 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 32.392 -6.517 1.843 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 32.420 -5.053 2.226 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 26.725 -8.964 -7.646 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 26.013 -8.429 -7.997 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 27.416 -8.908 -8.306 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 30.131 -8.754 -6.694 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 29.399 -8.526 -6.121 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 30.578 -9.468 -6.239 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 22.143 -9.355 -1.178 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.708 -9.234 -1.941 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 22.462 -8.718 -0.539 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 28.452 -3.852 -0.444 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 28.211 -3.190 0.204 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 28.254 -4.686 -0.019 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 19.943 -8.758 2.768 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 20.013 -8.107 3.466 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 19.052 -8.655 2.433 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 34.807 -3.245 4.159 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 34.758 -4.200 4.122 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 33.981 -2.977 4.561 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 25.786 -3.671 3.035 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 25.873 -2.845 3.510 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.922 -4.001 3.284 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 21.815 -11.711 -5.361 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 20.922 -12.052 -5.420 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.266 -12.088 -6.117 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 27.351 -11.295 -6.544 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 26.942 -10.480 -6.836 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.071 -11.435 -7.159 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 19.568 -11.612 1.594 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 19.530 -11.212 2.462 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 19.077 -12.429 1.684 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 24.397 -14.284 -4.275 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 23.486 -14.227 -3.986 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 24.902 -14.344 -3.464 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 19.687 -6.903 4.874 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 20.420 -6.649 5.435 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 18.907 -6.699 5.389 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 20.719 -15.360 -5.970 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 20.402 -16.262 -6.005 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.500 -15.358 -6.522 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 26.407 -6.711 2.948 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 26.061 -7.092 3.754 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.207 -5.777 3.019 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 29.503 -12.214 -8.429 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 30.395 -12.351 -8.110 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 29.560 -11.423 -8.966 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 17.020 -9.139 2.795 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 17.243 -9.557 3.627 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 16.418 -9.752 2.373 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.037 -9.622 5.008 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 23.741 -9.788 4.113 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 24.968 -9.842 4.998 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 28.657 -4.249 2.898 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 27.756 -4.066 2.630 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 28.691 -3.990 3.819 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 34.352 -6.204 4.102 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 33.500 -5.966 3.735 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 34.942 -6.221 3.349 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 27.873 -6.171 0.477 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 27.447 -6.398 1.303 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 28.454 -6.909 0.294 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 28.173 -14.993 -7.660 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 28.393 -14.521 -8.463 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 28.731 -14.598 -6.989 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.373 -13.265 -6.825 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 26.185 -12.761 -6.779 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 25.128 -13.410 -5.911 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 26.257 -16.184 -5.887 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 25.910 -15.566 -5.242 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 26.915 -15.683 -6.368 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.690 -3.395 5.490 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 28.339 -4.251 5.733 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 29.416 -3.252 6.097 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 17.423 -6.884 6.095 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 17.567 -7.786 5.809 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 16.650 -6.598 5.607 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.078 -6.914 5.528 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 23.750 -6.643 4.670 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.230 -7.855 5.440 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 29.813 -6.998 2.911 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 30.558 -6.410 2.791 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 29.056 -6.416 2.974 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 18.255 -9.684 5.515 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 18.663 -10.541 5.394 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 17.995 -9.669 6.436 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 27.222 -8.204 6.167 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 28.175 -8.120 6.139 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 27.062 -8.915 6.786 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 32.532 -5.358 6.702 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 31.666 -5.463 7.096 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 32.908 -4.599 7.149 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 34.227 -9.048 -5.960 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 33.501 -9.527 -5.562 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 34.808 -8.842 -5.228 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 33.986 -6.263 -1.012 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 34.820 -6.641 -1.293 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 34.098 -5.320 -1.131 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 32.473 -3.385 1.295 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 31.825 -3.060 1.920 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 31.955 -3.825 0.620 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 32.014 -10.527 -5.397 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 31.864 -11.472 -5.417 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 31.660 -10.246 -4.553 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 31.724 -12.944 -6.935 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 32.004 -13.851 -6.810 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 32.483 -12.510 -7.324 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 34.648 -17.646 6.631 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 34.998 -18.300 6.025 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 34.795 -16.809 6.191 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 32.338 -15.681 -6.886 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 32.520 -16.130 -6.061 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 31.738 -16.266 -7.350 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 17.868 -14.866 -2.355 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 18.313 -15.658 -2.053 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 18.334 -14.150 -1.924 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 16.172 -11.867 -1.286 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 16.664 -12.088 -2.076 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 16.534 -11.026 -1.005 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 16.449 -16.871 1.113 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 15.784 -17.117 1.756 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 16.006 -16.249 0.536 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 33.169 -17.447 2.799 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 32.356 -17.122 2.411 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 33.402 -18.207 2.266 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 26.599 -15.998 -2.878 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.924 -16.627 -2.623 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 27.163 -16.482 -3.481 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 31.741 -17.891 -2.766 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 32.345 -17.343 -3.267 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 30.872 -17.571 -3.006 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 33.468 -16.752 -4.432 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 34.080 -17.266 -4.959 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 33.851 -15.874 -4.409 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 18.925 -17.364 -5.056 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 18.148 -17.598 -5.564 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 19.456 -18.161 -5.048 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 23.505 -17.437 -5.243 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 24.379 -17.049 -5.273 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 23.369 -17.652 -4.320 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 29.062 -17.407 -3.594 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 29.138 -17.312 -4.543 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 28.786 -18.315 -3.465 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 26.937 -8.953 17.177 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.899 -9.599 17.882 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 26.614 -9.419 16.406 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 20.229 -4.888 17.305 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 19.859 -5.690 16.936 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 21.170 -5.057 17.352 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 16.839 -11.228 12.698 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 16.391 -10.382 12.680 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 16.278 -11.808 12.183 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 17.549 -9.066 14.824 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 17.763 -9.836 15.351 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 18.287 -8.977 14.221 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 28.467 -12.126 17.911 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 28.610 -13.073 17.931 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 28.361 -11.919 16.982 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 29.344 -13.894 13.584 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 29.990 -14.223 14.209 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 29.854 -13.376 12.961 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 23.398 -10.078 15.161 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.014 -10.604 15.670 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 22.812 -10.718 14.757 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.001 -7.431 19.545 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.261 -6.833 19.648 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 23.715 -6.877 19.229 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 31.108 -14.603 15.565 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 30.893 -15.369 16.097 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 31.764 -14.131 16.078 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 21.409 -5.467 20.332 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 21.403 -4.588 19.954 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 20.555 -5.550 20.757 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 26.725 -8.964 11.210 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 26.013 -8.429 10.859 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 27.416 -8.908 10.550 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.779 -10.506 8.249 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 27.480 -10.484 8.900 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 27.081 -11.134 7.593 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 30.028 -10.580 21.230 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 30.108 -9.817 21.802 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 29.427 -10.301 20.539 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 21.776 -8.124 14.045 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 21.446 -8.494 13.226 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 22.364 -8.794 14.391 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 22.143 -9.355 17.678 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 22.708 -9.234 16.915 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.462 -8.718 18.317 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 23.023 -4.956 22.395 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 22.711 -4.174 22.851 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 22.373 -5.109 21.709 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 29.002 -9.592 9.847 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 29.581 -9.442 10.594 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 29.416 -9.121 9.124 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.262 -2.884 23.159 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 21.270 -3.020 22.211 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 20.346 -3.002 23.411 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 20.766 -9.054 11.634 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 20.474 -8.286 11.143 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.092 -9.714 11.471 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 16.610 -3.911 17.333 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 17.556 -4.055 17.314 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 16.497 -3.127 17.870 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 26.390 -17.176 20.862 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.810 -17.591 21.615 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.457 -17.354 20.979 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 29.716 -13.420 21.716 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 29.202 -13.546 22.513 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 29.561 -12.508 21.471 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 21.815 -11.711 13.495 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.922 -12.052 13.436 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 22.266 -12.088 12.739 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 27.351 -11.295 12.312 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 26.942 -10.480 12.020 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 28.071 -11.435 11.697 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 28.355 -11.849 15.126 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 28.160 -11.244 14.411 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 28.537 -12.683 14.691 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 27.619 -10.211 19.797 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 27.943 -10.842 19.154 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 27.179 -10.746 20.458 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 28.802 -15.049 17.845 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 28.125 -14.918 18.509 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 28.316 -15.204 17.035 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 25.717 -11.496 16.468 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 26.281 -12.043 15.921 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 25.569 -12.018 17.257 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 26.407 -6.711 21.804 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 26.061 -7.092 22.610 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 26.207 -5.777 21.875 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 29.503 -12.214 10.427 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 30.395 -12.351 10.746 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 29.560 -11.423 9.890 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 20.012 -7.600 16.336 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 20.757 -7.602 15.735 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 20.090 -8.424 16.818 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 34.388 -12.004 10.121 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 33.834 -12.400 9.449 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 34.489 -11.094 9.844 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 18.142 -9.220 8.328 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 18.758 -8.593 8.707 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 17.280 -8.904 8.599 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 30.076 -5.242 8.407 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 30.429 -5.622 9.211 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 29.127 -5.335 8.493 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 30.942 -6.569 10.633 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 30.665 -7.297 11.189 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 31.869 -6.450 10.839 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 18.305 -2.581 19.644 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 18.522 -3.513 19.613 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 18.552 -2.307 20.528 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 19.557 -7.307 9.820 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 18.871 -6.955 10.387 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 20.080 -6.544 9.574 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 27.389 -14.645 20.099 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 28.087 -14.571 20.749 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 27.008 -15.509 20.254 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.764 -6.540 7.083 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 21.828 -7.334 7.614 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 22.417 -6.659 6.394 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 24.078 -6.914 24.384 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 23.750 -6.643 23.526 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 24.230 -7.855 24.296 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 27.116 -5.493 6.819 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 26.848 -5.313 7.720 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 26.910 -6.419 6.688 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.913 -8.568 9.389 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 22.454 -9.052 10.075 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.168 -9.236 8.753 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 23.984 -10.325 7.652 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 23.804 -10.479 6.724 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 24.935 -10.217 7.696 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 27.222 -8.204 25.023 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 28.175 -8.120 24.995 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 27.062 -8.915 25.642 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 24.536 -9.511 20.560 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 25.287 -9.667 19.987 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 24.197 -8.659 20.284 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 28.952 -11.696 25.588 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 29.144 -12.627 25.477 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 29.809 -11.271 25.578 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 30.268 -8.907 23.666 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.987 -8.198 23.088 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 31.211 -8.980 23.515 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 23.760 -17.494 20.752 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 23.662 -16.547 20.646 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 23.017 -17.866 20.276 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 27.740 -14.045 23.391 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 26.792 -14.013 23.523 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 28.052 -14.670 24.045 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 29.374 -15.411 25.396 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 29.277 -16.363 25.390 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 29.052 -15.142 26.257 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.982 -18.200 23.423 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 24.694 -18.840 23.409 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 23.881 -17.933 22.509 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.335 -16.517 25.477 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 24.204 -16.993 24.656 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 23.736 -15.773 25.421 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 33.833 -7.101 11.072 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 34.683 -6.680 11.200 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 33.838 -7.841 11.680 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 34.495 -9.147 9.287 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 33.974 -8.790 8.568 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 34.462 -8.472 9.965 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 31.724 -12.944 11.921 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 32.004 -13.851 12.046 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 32.483 -12.510 11.532 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 32.338 -15.681 11.970 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 32.520 -16.130 12.795 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 31.738 -16.266 11.506 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 34.204 -15.614 8.498 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 34.617 -16.335 8.022 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 34.886 -14.944 8.556 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 18.641 -3.696 24.113 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 17.820 -3.521 23.653 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 18.389 -3.769 25.034 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.595 -2.721 20.372 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 21.170 -1.912 20.089 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 22.500 -2.636 20.070 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 26.599 -15.998 15.978 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 25.924 -16.627 16.233 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.163 -16.482 15.375 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 31.741 -17.891 16.090 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 32.345 -17.343 15.589 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 30.872 -17.571 15.850 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 33.468 -16.752 14.424 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 34.080 -17.266 13.897 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 33.851 -15.874 14.447 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 29.062 -17.407 15.262 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 29.138 -17.312 14.313 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 28.786 -18.315 15.391 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.305 -9.338 37.626 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 19.347 -9.964 38.350 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 20.008 -8.715 37.808 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 17.549 -9.066 33.680 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 17.763 -9.836 34.207 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 18.287 -8.977 33.077 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.398 -10.078 34.017 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.014 -10.604 34.526 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 22.812 -10.718 33.613 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 20.432 -15.107 38.113 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 20.213 -14.577 37.347 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.764 -14.880 38.761 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 17.530 -5.796 29.970 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 17.258 -5.567 29.081 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 17.575 -4.958 30.430 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 24.458 -17.801 35.566 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 24.341 -18.750 35.512 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 23.603 -17.469 35.839 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 26.725 -8.964 30.066 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 26.013 -8.429 29.715 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 27.416 -8.908 29.406 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 26.779 -10.506 27.105 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 27.480 -10.484 27.756 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 27.081 -11.134 26.449 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 21.776 -8.124 32.901 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 21.446 -8.494 32.082 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 22.364 -8.794 33.247 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 22.143 -9.355 36.534 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 22.708 -9.234 35.771 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 22.462 -8.718 37.173 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 29.002 -9.592 28.703 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 29.581 -9.442 29.450 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 29.416 -9.121 27.980 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 26.052 -14.683 27.003 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.798 -14.664 27.926 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 25.795 -15.555 26.702 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.818 -11.932 37.439 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 21.176 -11.973 38.148 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 21.855 -11.006 37.201 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 27.351 -11.295 31.168 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 26.942 -10.480 30.876 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 28.071 -11.435 30.553 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 19.568 -11.612 39.306 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 19.530 -11.212 40.174 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 19.077 -12.429 39.396 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 24.397 -14.284 33.437 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 23.486 -14.227 33.726 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.902 -14.344 34.248 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 25.717 -11.496 35.324 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 26.281 -12.043 34.777 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 25.569 -12.018 36.113 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 24.343 -13.108 37.738 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 23.508 -12.654 37.848 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 24.867 -12.832 38.490 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.887 -6.895 29.423 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.143 -7.402 29.100 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.753 -6.846 30.369 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 28.785 -14.081 27.622 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 27.847 -13.969 27.471 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 29.082 -13.224 27.928 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 29.503 -12.214 29.283 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 30.395 -12.351 29.602 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 29.560 -11.423 28.746 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 20.012 -7.600 35.192 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 20.757 -7.602 34.591 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 20.090 -8.424 35.674 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.814 -6.419 32.173 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 23.573 -5.494 32.215 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.074 -6.878 32.569 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 18.654 -14.386 40.065 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 17.761 -14.047 39.998 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 18.555 -15.241 40.483 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 24.167 -4.130 25.710 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 24.406 -4.878 25.162 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 23.898 -4.518 26.542 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 23.104 -4.560 28.166 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 23.251 -5.080 28.956 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 23.101 -3.653 28.472 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 25.373 -13.265 30.887 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 26.185 -12.761 30.933 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 25.128 -13.410 31.801 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 26.257 -16.184 31.825 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 25.910 -15.566 32.470 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 26.915 -15.683 31.344 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 20.173 -4.693 27.573 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.765 -3.994 27.849 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 20.632 -5.126 26.854 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 18.227 -3.307 31.523 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 17.395 -2.834 31.550 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 18.773 -2.797 30.924 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 21.764 -6.540 25.939 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 21.828 -7.334 26.470 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 22.417 -6.659 25.250 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 27.116 -5.493 25.675 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 26.848 -5.313 26.576 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 26.910 -6.419 25.544 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 22.913 -8.568 28.245 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.454 -9.052 28.931 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 23.168 -9.236 27.609 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 22.954 -14.950 39.176 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 23.490 -14.499 38.524 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 22.102 -15.058 38.754 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 23.760 -17.494 39.608 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 23.662 -16.547 39.502 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 23.017 -17.866 39.132 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 17.450 -4.998 26.992 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.364 -4.919 27.265 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 17.457 -5.685 26.325 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 17.049 -8.449 36.325 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 17.233 -8.531 35.390 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 17.898 -8.573 36.749 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 16.172 -11.867 36.426 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 16.664 -12.088 35.636 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 16.534 -11.026 36.707 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 16.449 -16.871 38.825 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 15.784 -17.117 39.468 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 16.006 -16.249 38.248 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 26.599 -15.998 34.834 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 25.924 -16.627 35.089 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 27.163 -16.482 34.231 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 23.505 -17.437 32.469 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 24.379 -17.049 32.439 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 23.369 -17.652 33.392 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.649 -15.357 29.359 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 24.827 -16.003 30.042 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.595 -14.523 29.826 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 36.372 -19.550 5.141 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 36.912 -19.767 5.900 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 35.891 -20.356 4.951 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 37.853 -18.321 1.563 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 37.133 -17.881 1.112 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 37.487 -18.572 2.412 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 36.306 -23.854 8.136 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 37.220 -23.775 8.409 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 36.313 -24.541 7.469 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 34.955 -18.461 13.213 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 34.308 -18.923 12.680 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 35.310 -19.133 13.796 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 36.519 -20.474 10.501 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 35.834 -20.512 9.833 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 36.522 -19.561 10.789 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 38.161 -9.338 -0.086 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 38.203 -9.964 0.638 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 38.864 -8.715 0.096 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 35.695 -11.228 -6.158 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 35.247 -10.382 -6.176 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 35.134 -11.808 -6.673 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 36.405 -9.066 -4.032 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 36.619 -9.836 -3.505 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 37.143 -8.977 -4.635 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 37.098 -11.628 -2.911 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 37.752 -12.178 -2.479 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 37.122 -11.902 -3.827 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 39.288 -15.107 0.401 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 39.069 -14.577 -0.365 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 38.620 -14.880 1.049 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 38.882 -13.215 -1.646 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 39.495 -12.582 -1.273 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 39.394 -13.687 -2.303 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 38.799 -8.758 2.768 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 38.869 -8.107 3.466 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 37.908 -8.655 2.433 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 35.715 -6.691 1.593 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 35.214 -6.719 0.778 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 35.721 -7.597 1.903 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 35.466 -3.911 -1.523 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 36.412 -4.055 -1.542 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 35.353 -3.127 -0.986 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 37.964 -5.368 2.636 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 38.181 -5.729 3.496 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 37.109 -5.742 2.426 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 38.424 -11.612 1.594 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 38.386 -11.212 2.462 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 37.933 -12.429 1.684 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 35.032 -14.496 -4.556 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 35.663 -14.525 -3.836 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 35.482 -14.921 -5.286 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 38.543 -6.903 4.874 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 39.276 -6.649 5.435 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 37.763 -6.699 5.389 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 37.510 -14.386 2.353 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 36.617 -14.047 2.286 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 37.411 -15.241 2.771 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 36.279 -6.884 6.095 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 36.423 -7.786 5.809 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 35.506 -6.598 5.607 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 37.111 -9.684 5.515 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 37.519 -10.541 5.394 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 36.851 -9.669 6.436 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 41.058 -10.675 2.889 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 40.440 -10.000 3.170 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 41.402 -10.354 2.056 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 39.876 -12.122 5.883 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 39.109 -12.654 5.673 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 40.555 -12.432 5.284 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 38.057 -14.201 5.588 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 38.268 -14.908 4.977 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 37.945 -14.639 6.432 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 35.905 -8.449 -1.387 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 36.089 -8.531 -2.322 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 36.754 -8.573 -0.963 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 36.724 -14.866 -2.355 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 37.169 -15.658 -2.053 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 37.190 -14.150 -1.924 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 35.028 -11.867 -1.286 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 35.520 -12.088 -2.076 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 35.390 -11.026 -1.005 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 35.305 -16.871 1.113 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 34.640 -17.117 1.756 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 34.862 -16.249 0.536 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 37.739 -16.850 4.461 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 37.373 -17.615 4.904 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 38.652 -16.821 4.748 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 36.307 -13.750 9.724 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 36.781 -13.159 9.139 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 35.589 -13.219 10.071 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 36.998 -9.220 8.328 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 37.614 -8.593 8.707 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 36.136 -8.904 8.599 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 37.345 -12.029 7.833 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 37.300 -11.090 8.012 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 36.457 -12.265 7.563 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 36.306 -4.998 8.136 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 37.220 -4.919 8.409 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 36.313 -5.685 7.469 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 35.341 -15.609 11.625 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 34.416 -15.400 11.495 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 35.795 -15.125 10.935 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 36.618 -17.566 9.603 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 37.057 -16.955 9.012 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 35.984 -17.028 10.077 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 38.479 -15.650 8.046 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 38.970 -16.280 7.518 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 39.102 -15.354 8.709 0.00 0.00 WAT1 END