REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -877.972, 80.6303, 108.807, 51.2214, 563.798, -610.57, -1075.54, 3.46186, 0.217485 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.351009E-03,0.444234,1.19348,42.4114,4.35748E-03,0.154268 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 45, 5 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 29.093 -6.398 23.718 1.00 32.41 ATOM 2 CB MET 1 27.198 -6.318 24.720 1.00 23.32 ATOM 3 HB1 MET 1 26.218 -5.902 24.534 1.00 38.37 ATOM 4 HB2 MET 1 27.626 -5.830 25.583 1.00 15.24 ATOM 5 CG MET 1 27.033 -7.799 25.046 1.00 1.44 ATOM 6 HG1 MET 1 28.009 -8.225 25.235 1.00 38.37 ATOM 7 HG2 MET 1 26.582 -8.296 24.197 1.00 60.42 ATOM 8 SD MET 1 25.994 -8.072 26.494 1.00 30.04 ATOM 9 CE MET 1 25.916 -9.863 26.528 1.00 74.02 ATOM 10 HE1 MET 1 26.913 -10.266 26.628 1.00 62.43 ATOM 11 HE2 MET 1 25.472 -10.221 25.611 1.00 21.12 ATOM 12 HE3 MET 1 25.314 -10.180 27.367 1.00 42.31 ATOM 13 C MET 1 27.563 -6.813 22.280 1.00 75.30 ATOM 14 O MET 1 28.311 -7.520 21.607 1.00 61.12 ATOM 15 N MET 1 28.176 -4.585 23.233 1.00 13.51 ATOM 16 HT1 MET 1 27.239 -4.206 22.989 1.00 38.37 ATOM 17 HT2 MET 1 28.829 -4.402 22.442 1.00 38.37 ATOM 18 HT3 MET 1 28.529 -4.088 24.074 1.00 38.37 ATOM 19 CA MET 1 28.093 -6.046 23.502 1.00 42.00 ATOM 20 N GLY 2 26.271 -6.663 21.992 1.00 60.13 ATOM 21 HN GLY 2 25.727 -6.044 22.526 1.00 38.37 ATOM 22 CA GLY 2 25.659 -7.398 20.890 1.00 74.21 ATOM 23 HA1 GLY 2 25.501 -8.421 21.201 1.00 38.37 ATOM 24 HA2 GLY 2 26.336 -7.394 20.047 1.00 70.54 ATOM 25 C GLY 2 24.326 -6.808 20.449 1.00 43.35 ATOM 26 O GLY 2 23.280 -7.107 21.035 1.00 34.42 ATOM 27 N HIS 3 24.367 -5.948 19.434 1.00 24.54 ATOM 28 HN HIS 3 25.241 -5.694 19.068 1.00 38.37 ATOM 29 CA HIS 3 23.154 -5.353 18.861 1.00 72.11 ATOM 30 HA HIS 3 22.658 -4.807 19.651 1.00 41.14 ATOM 31 CB HIS 3 23.528 -4.362 17.744 1.00 20.03 ATOM 32 HB1 HIS 3 23.915 -3.457 18.191 1.00 38.37 ATOM 33 HB2 HIS 3 22.644 -4.120 17.170 1.00 32.44 ATOM 34 CG HIS 3 24.564 -4.881 16.792 1.00 43.24 ATOM 35 ND1 HIS 3 25.855 -4.407 16.768 1.00 41.42 ATOM 36 HD1 HIS 3 26.216 -3.699 17.345 1.00 5.42 ATOM 37 CD2 HIS 3 24.502 -5.834 15.831 1.00 45.23 ATOM 38 HD2 HIS 3 23.632 -6.419 15.562 1.00 63.24 ATOM 39 CE1 HIS 3 26.540 -5.040 15.840 1.00 43.03 ATOM 40 HE1 HIS 3 27.579 -4.870 15.598 1.00 64.31 ATOM 41 NE2 HIS 3 25.746 -5.912 15.257 1.00 2.30 ATOM 42 HE2 HIS 3 26.050 -6.631 14.660 1.00 38.37 ATOM 43 C HIS 3 22.186 -6.422 18.323 1.00 10.11 ATOM 44 O HIS 3 22.574 -7.300 17.547 1.00 75.41 ATOM 45 N HIS 4 20.925 -6.344 18.740 1.00 1.25 ATOM 46 HN HIS 4 20.677 -5.640 19.377 1.00 38.37 ATOM 47 CA HIS 4 19.898 -7.278 18.275 1.00 0.14 ATOM 48 HA HIS 4 20.304 -8.279 18.348 1.00 24.11 ATOM 49 CB HIS 4 18.657 -7.183 19.173 1.00 43.04 ATOM 50 HB1 HIS 4 18.267 -6.176 19.130 1.00 38.37 ATOM 51 HB2 HIS 4 18.940 -7.408 20.191 1.00 21.51 ATOM 52 CG HIS 4 17.555 -8.121 18.788 1.00 62.40 ATOM 53 ND1 HIS 4 16.376 -7.699 18.215 1.00 64.41 ATOM 54 HD1 HIS 4 16.144 -6.768 18.005 1.00 32.14 ATOM 55 CD2 HIS 4 17.454 -9.468 18.901 1.00 71.11 ATOM 56 HD2 HIS 4 18.199 -10.138 19.305 1.00 73.10 ATOM 57 CE1 HIS 4 15.598 -8.738 17.993 1.00 4.20 ATOM 58 HE1 HIS 4 14.614 -8.707 17.551 1.00 61.40 ATOM 59 NE2 HIS 4 16.227 -9.821 18.400 1.00 73.54 ATOM 60 HE2 HIS 4 15.919 -10.740 18.247 1.00 38.37 ATOM 61 C HIS 4 19.534 -7.004 16.803 1.00 2.34 ATOM 62 O HIS 4 18.518 -6.378 16.501 1.00 4.32 ATOM 63 N HIS 5 20.396 -7.461 15.899 1.00 61.24 ATOM 64 HN HIS 5 21.184 -7.951 16.211 1.00 38.37 ATOM 65 CA HIS 5 20.216 -7.238 14.459 1.00 74.11 ATOM 66 HA HIS 5 19.963 -6.195 14.321 1.00 74.15 ATOM 67 CB HIS 5 21.529 -7.525 13.714 1.00 50.10 ATOM 68 HB1 HIS 5 22.300 -6.873 14.100 1.00 38.37 ATOM 69 HB2 HIS 5 21.391 -7.320 12.662 1.00 71.14 ATOM 70 CG HIS 5 22.016 -8.939 13.846 1.00 55.41 ATOM 71 ND1 HIS 5 21.905 -9.872 12.839 1.00 22.00 ATOM 72 HD1 HIS 5 21.513 -9.716 11.953 1.00 31.42 ATOM 73 CD2 HIS 5 22.632 -9.575 14.872 1.00 3.35 ATOM 74 HD2 HIS 5 22.889 -9.147 15.832 1.00 50.14 ATOM 75 CE1 HIS 5 22.425 -11.014 13.234 1.00 53.23 ATOM 76 HE1 HIS 5 22.479 -11.919 12.650 1.00 23.41 ATOM 77 NE2 HIS 5 22.872 -10.862 14.462 1.00 4.52 ATOM 78 HE2 HIS 5 23.413 -11.521 14.946 1.00 38.37 ATOM 79 C HIS 5 19.076 -8.096 13.880 1.00 4.43 ATOM 80 O HIS 5 18.875 -9.242 14.288 1.00 51.34 ATOM 81 N HIS 6 18.337 -7.536 12.922 1.00 4.34 ATOM 82 HN HIS 6 18.553 -6.626 12.627 1.00 38.37 ATOM 83 CA HIS 6 17.215 -8.248 12.300 1.00 30.31 ATOM 84 HA HIS 6 16.754 -8.861 13.064 1.00 2.03 ATOM 85 CB HIS 6 16.162 -7.260 11.766 1.00 25.11 ATOM 86 HB1 HIS 6 15.907 -6.563 12.552 1.00 38.37 ATOM 87 HB2 HIS 6 15.274 -7.809 11.485 1.00 71.33 ATOM 88 CG HIS 6 16.608 -6.467 10.570 1.00 3.41 ATOM 89 ND1 HIS 6 16.281 -6.807 9.274 1.00 73.15 ATOM 90 HD1 HIS 6 15.733 -7.574 9.002 1.00 71.35 ATOM 91 CD2 HIS 6 17.353 -5.341 10.476 1.00 61.25 ATOM 92 HD2 HIS 6 17.781 -4.784 11.298 1.00 32.35 ATOM 93 CE1 HIS 6 16.805 -5.931 8.442 1.00 54.34 ATOM 94 HE1 HIS 6 16.711 -5.947 7.366 1.00 24.11 ATOM 95 NE2 HIS 6 17.459 -5.033 9.143 1.00 74.51 ATOM 96 HE2 HIS 6 17.802 -4.188 8.785 1.00 38.37 ATOM 97 C HIS 6 17.698 -9.163 11.166 1.00 33.15 ATOM 98 O HIS 6 18.427 -8.732 10.271 1.00 40.41 ATOM 99 N HIS 7 17.291 -10.425 11.210 1.00 33.04 ATOM 100 HN HIS 7 16.737 -10.720 11.965 1.00 38.37 ATOM 101 CA HIS 7 17.649 -11.392 10.169 1.00 52.54 ATOM 102 HA HIS 7 18.029 -10.841 9.318 1.00 23.44 ATOM 103 CB HIS 7 18.745 -12.341 10.674 1.00 24.11 ATOM 104 HB1 HIS 7 18.383 -12.870 11.545 1.00 38.37 ATOM 105 HB2 HIS 7 19.617 -11.763 10.948 1.00 72.34 ATOM 106 CG HIS 7 19.169 -13.360 9.655 1.00 65.31 ATOM 107 ND1 HIS 7 18.685 -14.652 9.631 1.00 61.43 ATOM 108 HD1 HIS 7 18.040 -15.038 10.264 1.00 11.54 ATOM 109 CD2 HIS 7 20.028 -13.268 8.610 1.00 30.41 ATOM 110 HD2 HIS 7 20.600 -12.396 8.323 1.00 24.13 ATOM 111 CE1 HIS 7 19.224 -15.304 8.622 1.00 33.25 ATOM 112 HE1 HIS 7 19.030 -16.333 8.357 1.00 64.23 ATOM 113 NE2 HIS 7 20.038 -14.489 7.988 1.00 22.11 ATOM 114 HE2 HIS 7 20.641 -14.752 7.260 1.00 38.37 ATOM 115 C HIS 7 16.425 -12.200 9.723 1.00 41.13 ATOM 116 O HIS 7 15.780 -12.863 10.539 1.00 54.22 ATOM 117 N HIS 8 16.110 -12.136 8.431 1.00 52.34 ATOM 118 HN HIS 8 16.638 -11.557 7.842 1.00 38.37 ATOM 119 CA HIS 8 14.981 -12.885 7.869 1.00 63.22 ATOM 120 HA HIS 8 14.093 -12.595 8.414 1.00 24.21 ATOM 121 CB HIS 8 14.794 -12.523 6.390 1.00 4.21 ATOM 122 HB1 HIS 8 15.678 -12.815 5.839 1.00 38.37 ATOM 123 HB2 HIS 8 14.660 -11.455 6.303 1.00 30.41 ATOM 124 CG HIS 8 13.610 -13.185 5.752 1.00 51.44 ATOM 125 ND1 HIS 8 12.312 -12.803 6.006 1.00 44.22 ATOM 126 HD1 HIS 8 12.033 -12.088 6.621 1.00 33.35 ATOM 127 CD2 HIS 8 13.530 -14.204 4.863 1.00 61.35 ATOM 128 HD2 HIS 8 14.357 -14.751 4.436 1.00 32.35 ATOM 129 CE1 HIS 8 11.488 -13.554 5.306 1.00 51.24 ATOM 130 HE1 HIS 8 10.412 -13.476 5.303 1.00 35.34 ATOM 131 NE2 HIS 8 12.199 -14.410 4.606 1.00 75.20 ATOM 132 HE2 HIS 8 11.841 -14.988 3.898 1.00 38.37 ATOM 133 C HIS 8 15.180 -14.404 8.024 1.00 32.30 ATOM 134 O HIS 8 16.269 -14.928 7.783 1.00 63.21 ATOM 135 N SER 9 14.121 -15.103 8.425 1.00 31.22 ATOM 136 HN SER 9 13.277 -14.634 8.589 1.00 38.37 ATOM 137 CA SER 9 14.185 -16.557 8.647 1.00 33.45 ATOM 138 HA SER 9 15.170 -16.791 9.028 1.00 10.21 ATOM 139 CB SER 9 13.138 -16.986 9.686 1.00 50.14 ATOM 140 HB1 SER 9 13.235 -18.046 9.875 1.00 38.37 ATOM 141 HB2 SER 9 12.148 -16.779 9.305 1.00 23.31 ATOM 142 OG SER 9 13.307 -16.288 10.911 1.00 75.20 ATOM 143 HG SER 9 13.744 -16.868 11.551 1.00 35.21 ATOM 144 C SER 9 13.954 -17.346 7.352 1.00 72.31 ATOM 145 O SER 9 13.195 -16.922 6.477 1.00 42.43 ATOM 146 N HIS 10 14.605 -18.502 7.242 1.00 30.14 ATOM 147 HN HIS 10 15.231 -18.764 7.952 1.00 38.37 ATOM 148 CA HIS 10 14.408 -19.400 6.099 1.00 20.13 ATOM 149 HA HIS 10 14.172 -18.793 5.233 1.00 54.42 ATOM 150 CB HIS 10 15.691 -20.196 5.815 1.00 73.25 ATOM 151 HB1 HIS 10 15.500 -20.900 5.016 1.00 38.37 ATOM 152 HB2 HIS 10 15.971 -20.741 6.705 1.00 11.03 ATOM 153 CG HIS 10 16.859 -19.348 5.413 1.00 34.31 ATOM 154 ND1 HIS 10 17.629 -19.610 4.302 1.00 4.50 ATOM 155 HD1 HIS 10 17.490 -20.346 3.669 1.00 3.22 ATOM 156 CD2 HIS 10 17.401 -18.249 5.986 1.00 13.10 ATOM 157 HD2 HIS 10 17.052 -17.754 6.882 1.00 61.53 ATOM 158 CE1 HIS 10 18.589 -18.715 4.210 1.00 64.10 ATOM 159 HE1 HIS 10 19.345 -18.677 3.439 1.00 60.41 ATOM 160 NE2 HIS 10 18.475 -17.876 5.216 1.00 74.22 ATOM 161 HE2 HIS 10 18.928 -17.006 5.267 1.00 38.37 ATOM 162 C HIS 10 13.233 -20.355 6.366 1.00 10.21 ATOM 163 O HIS 10 12.103 -20.098 5.938 1.00 41.55 ATOM 164 N MET 11 13.507 -21.446 7.088 1.00 42.45 ATOM 165 HN MET 11 14.440 -21.634 7.326 1.00 38.37 ATOM 166 CA MET 11 12.463 -22.376 7.535 1.00 74.14 ATOM 167 HA MET 11 11.746 -21.800 8.104 1.00 62.10 ATOM 168 CB MET 11 11.734 -23.018 6.341 1.00 2.44 ATOM 169 HB1 MET 11 12.453 -23.560 5.742 1.00 38.37 ATOM 170 HB2 MET 11 11.298 -22.233 5.738 1.00 20.13 ATOM 171 CG MET 11 10.623 -23.982 6.748 1.00 34.51 ATOM 172 HG1 MET 11 11.069 -24.852 7.207 1.00 38.37 ATOM 173 HG2 MET 11 10.084 -24.282 5.861 1.00 11.21 ATOM 174 SD MET 11 9.454 -23.246 7.912 1.00 0.11 ATOM 175 CE MET 11 8.369 -24.637 8.234 1.00 70.34 ATOM 176 HE1 MET 11 8.940 -25.452 8.653 1.00 55.14 ATOM 177 HE2 MET 11 7.910 -24.956 7.311 1.00 43.11 ATOM 178 HE3 MET 11 7.600 -24.340 8.933 1.00 4.11 ATOM 179 C MET 11 13.036 -23.466 8.459 1.00 24.44 ATOM 180 O MET 11 13.238 -24.613 8.052 1.00 10.24 ATOM 181 N ASN 12 13.340 -23.089 9.698 1.00 23.53 ATOM 182 HN ASN 12 13.317 -22.132 9.927 1.00 38.37 ATOM 183 CA ASN 12 13.710 -24.059 10.731 1.00 41.11 ATOM 184 HA ASN 12 13.970 -24.989 10.240 1.00 11.11 ATOM 185 CB ASN 12 14.920 -23.567 11.541 1.00 22.14 ATOM 186 HB1 ASN 12 15.045 -24.195 12.413 1.00 38.37 ATOM 187 HB2 ASN 12 14.742 -22.550 11.861 1.00 33.55 ATOM 188 CG ASN 12 16.209 -23.596 10.736 1.00 13.23 ATOM 189 OD1 ASN 12 16.536 -22.650 10.025 1.00 33.41 ATOM 190 ND2 ASN 12 16.960 -24.675 10.846 1.00 10.11 ATOM 191 HD21 ASN 12 16.660 -25.397 11.436 1.00 34.32 ATOM 192 HD22 ASN 12 17.792 -24.708 10.332 1.00 3.42 ATOM 193 C ASN 12 12.512 -24.312 11.656 1.00 55.03 ATOM 194 O ASN 12 12.069 -23.409 12.368 1.00 21.31 ATOM 195 N SER 13 11.998 -25.544 11.647 1.00 1.12 ATOM 196 HN SER 13 12.418 -26.227 11.075 1.00 38.37 ATOM 197 CA SER 13 10.811 -25.915 12.441 1.00 2.20 ATOM 198 HA SER 13 9.965 -25.382 12.027 1.00 62.45 ATOM 199 CB SER 13 10.542 -27.425 12.320 1.00 61.21 ATOM 200 HB1 SER 13 9.669 -27.682 12.902 1.00 38.37 ATOM 201 HB2 SER 13 11.394 -27.973 12.694 1.00 44.03 ATOM 202 OG SER 13 10.319 -27.808 10.968 1.00 24.11 ATOM 203 HG SER 13 10.403 -28.770 10.887 1.00 22.15 ATOM 204 C SER 13 10.948 -25.527 13.927 1.00 72.33 ATOM 205 O SER 13 9.965 -25.502 14.666 1.00 5.11 ATOM 206 N ALA 14 12.171 -25.229 14.361 1.00 33.54 ATOM 207 HN ALA 14 12.925 -25.314 13.743 1.00 38.37 ATOM 208 CA ALA 14 12.424 -24.796 15.738 1.00 42.10 ATOM 209 HA ALA 14 11.809 -25.405 16.389 1.00 43.33 ATOM 210 CB ALA 14 13.878 -25.050 16.105 1.00 10.44 ATOM 211 HB1 ALA 14 14.043 -24.783 17.139 1.00 63.23 ATOM 212 HB2 ALA 14 14.521 -24.454 15.472 1.00 13.21 ATOM 213 HB3 ALA 14 14.107 -26.097 15.965 1.00 71.03 ATOM 214 C ALA 14 12.066 -23.315 15.966 1.00 53.30 ATOM 215 O ALA 14 11.558 -22.960 17.025 1.00 43.12 ATOM 216 N GLU 15 12.324 -22.458 14.971 1.00 3.44 ATOM 217 HN GLU 15 12.684 -22.803 14.127 1.00 38.37 ATOM 218 CA GLU 15 12.070 -21.007 15.100 1.00 71.31 ATOM 219 HA GLU 15 12.711 -20.631 15.886 1.00 62.23 ATOM 220 CB GLU 15 12.412 -20.278 13.788 1.00 52.54 ATOM 221 HB1 GLU 15 12.206 -19.222 13.913 1.00 38.37 ATOM 222 HB2 GLU 15 11.782 -20.665 13.000 1.00 22.11 ATOM 223 CG GLU 15 13.864 -20.431 13.353 1.00 31.42 ATOM 224 HG1 GLU 15 14.061 -21.477 13.164 1.00 38.37 ATOM 225 HG2 GLU 15 14.505 -20.089 14.155 1.00 23.05 ATOM 226 CD GLU 15 14.193 -19.639 12.096 1.00 11.33 ATOM 227 OE1 GLU 15 14.692 -18.497 12.221 1.00 44.11 ATOM 228 OE2 GLU 15 13.958 -20.158 10.982 1.00 14.24 ATOM 229 C GLU 15 10.607 -20.719 15.476 1.00 62.30 ATOM 230 O GLU 15 10.324 -19.982 16.428 1.00 52.01 ATOM 231 N GLN 16 9.684 -21.303 14.716 1.00 5.03 ATOM 232 HN GLN 16 9.975 -21.839 13.948 1.00 38.37 ATOM 233 CA GLN 16 8.249 -21.160 14.980 1.00 32.12 ATOM 234 HA GLN 16 8.019 -20.102 14.973 1.00 10.44 ATOM 235 CB GLN 16 7.441 -21.850 13.866 1.00 41.14 ATOM 236 HB1 GLN 16 7.673 -21.371 12.924 1.00 38.37 ATOM 237 HB2 GLN 16 6.386 -21.724 14.068 1.00 15.43 ATOM 238 CG GLN 16 7.726 -23.343 13.724 1.00 13.12 ATOM 239 HG1 GLN 16 7.344 -23.855 14.597 1.00 38.37 ATOM 240 HG2 GLN 16 8.795 -23.488 13.666 1.00 22.41 ATOM 241 CD GLN 16 7.092 -23.956 12.484 1.00 43.12 ATOM 242 OE1 GLN 16 6.934 -23.302 11.460 1.00 5.30 ATOM 243 NE2 GLN 16 6.731 -25.219 12.565 1.00 23.43 ATOM 244 HE21 GLN 16 6.887 -25.691 13.407 1.00 52.12 ATOM 245 HE22 GLN 16 6.318 -25.628 11.780 1.00 55.13 ATOM 246 C GLN 16 7.878 -21.733 16.362 1.00 23.03 ATOM 247 O GLN 16 7.038 -21.179 17.072 1.00 11.11 ATOM 248 N THR 17 8.538 -22.828 16.745 1.00 61.44 ATOM 249 HN THR 17 9.192 -23.224 16.133 1.00 38.37 ATOM 250 CA THR 17 8.306 -23.464 18.051 1.00 45.23 ATOM 251 HA THR 17 7.242 -23.644 18.142 1.00 43.40 ATOM 252 CB THR 17 9.035 -24.829 18.160 1.00 72.54 ATOM 253 HB THR 17 10.099 -24.661 18.051 1.00 74.35 ATOM 254 OG1 THR 17 8.595 -25.704 17.110 1.00 43.52 ATOM 255 HG1 THR 17 9.318 -25.860 16.493 1.00 42.12 ATOM 256 CG2 THR 17 8.782 -25.491 19.514 1.00 2.10 ATOM 257 HG21 THR 17 9.150 -24.852 20.304 1.00 2.23 ATOM 258 HG22 THR 17 9.297 -26.441 19.554 1.00 32.42 ATOM 259 HG23 THR 17 7.722 -25.653 19.647 1.00 2.53 ATOM 260 C THR 17 8.752 -22.558 19.209 1.00 34.21 ATOM 261 O THR 17 8.047 -22.428 20.208 1.00 1.25 ATOM 262 N VAL 18 9.922 -21.927 19.070 1.00 2.32 ATOM 263 HN VAL 18 10.461 -22.097 18.270 1.00 38.37 ATOM 264 CA VAL 18 10.422 -20.985 20.083 1.00 34.23 ATOM 265 HA VAL 18 10.575 -21.535 21.004 1.00 63.55 ATOM 266 CB VAL 18 11.775 -20.348 19.663 1.00 55.43 ATOM 267 HB VAL 18 11.621 -19.812 18.735 1.00 14.23 ATOM 268 CG1 VAL 18 12.256 -19.344 20.714 1.00 24.21 ATOM 269 HG11 VAL 18 13.204 -18.923 20.407 1.00 30.44 ATOM 270 HG12 VAL 18 12.376 -19.843 21.665 1.00 60.42 ATOM 271 HG13 VAL 18 11.529 -18.550 20.814 1.00 32.51 ATOM 272 CG2 VAL 18 12.835 -21.423 19.420 1.00 70.32 ATOM 273 HG21 VAL 18 13.750 -20.960 19.079 1.00 33.14 ATOM 274 HG22 VAL 18 12.483 -22.115 18.670 1.00 12.03 ATOM 275 HG23 VAL 18 13.026 -21.959 20.339 1.00 12.15 ATOM 276 C VAL 18 9.400 -19.867 20.336 1.00 35.21 ATOM 277 O VAL 18 9.005 -19.613 21.475 1.00 74.02 ATOM 278 N THR 19 8.967 -19.215 19.257 1.00 4.13 ATOM 279 HN THR 19 9.347 -19.442 18.382 1.00 38.37 ATOM 280 CA THR 19 7.948 -18.159 19.341 1.00 41.04 ATOM 281 HA THR 19 8.356 -17.347 19.927 1.00 5.33 ATOM 282 CB THR 19 7.582 -17.615 17.935 1.00 21.30 ATOM 283 HB THR 19 7.049 -18.388 17.395 1.00 64.23 ATOM 284 OG1 THR 19 8.776 -17.277 17.204 1.00 45.44 ATOM 285 HG1 THR 19 9.100 -18.057 16.735 1.00 33.24 ATOM 286 CG2 THR 19 6.685 -16.384 18.038 1.00 13.54 ATOM 287 HG21 THR 19 7.211 -15.597 18.561 1.00 14.02 ATOM 288 HG22 THR 19 5.784 -16.635 18.580 1.00 72.33 ATOM 289 HG23 THR 19 6.424 -16.042 17.046 1.00 64.34 ATOM 290 C THR 19 6.670 -18.681 20.025 1.00 74.31 ATOM 291 O THR 19 6.056 -17.991 20.845 1.00 71.21 ATOM 292 N TRP 20 6.291 -19.914 19.686 1.00 74.11 ATOM 293 HN TRP 20 6.809 -20.395 19.004 1.00 38.37 ATOM 294 CA TRP 20 5.122 -20.578 20.278 1.00 62.33 ATOM 295 HA TRP 20 4.264 -19.941 20.112 1.00 64.34 ATOM 296 CB TRP 20 4.887 -21.920 19.565 1.00 74.24 ATOM 297 HB1 TRP 20 5.768 -22.538 19.683 1.00 38.37 ATOM 298 HB2 TRP 20 4.730 -21.733 18.513 1.00 40.23 ATOM 299 CG TRP 20 3.704 -22.695 20.068 1.00 51.11 ATOM 300 CD1 TRP 20 2.421 -22.249 20.195 1.00 4.31 ATOM 301 HD1 TRP 20 2.099 -21.246 19.955 1.00 21.40 ATOM 302 CD2 TRP 20 3.697 -24.062 20.487 1.00 5.21 ATOM 303 NE1 TRP 20 1.620 -23.253 20.680 1.00 45.12 ATOM 304 HE1 TRP 20 0.660 -23.175 20.862 1.00 3.34 ATOM 305 CE2 TRP 20 2.380 -24.378 20.864 1.00 41.43 ATOM 306 CE3 TRP 20 4.680 -25.047 20.578 1.00 30.32 ATOM 307 HE3 TRP 20 5.703 -24.840 20.299 1.00 50.34 ATOM 308 CZ2 TRP 20 2.022 -25.640 21.329 1.00 21.22 ATOM 309 HZ2 TRP 20 1.006 -25.877 21.617 1.00 20.25 ATOM 310 CZ3 TRP 20 4.326 -26.299 21.037 1.00 10.43 ATOM 311 HZ3 TRP 20 5.074 -27.074 21.114 1.00 11.20 ATOM 312 CH2 TRP 20 3.005 -26.587 21.406 1.00 73.13 ATOM 313 HH2 TRP 20 2.773 -27.579 21.760 1.00 3.53 ATOM 314 C TRP 20 5.292 -20.786 21.799 1.00 2.51 ATOM 315 O TRP 20 4.360 -20.568 22.576 1.00 51.42 ATOM 316 N LEU 21 6.489 -21.188 22.222 1.00 2.31 ATOM 317 HN LEU 21 7.194 -21.364 21.560 1.00 38.37 ATOM 318 CA LEU 21 6.782 -21.383 23.650 1.00 15.02 ATOM 319 HA LEU 21 6.017 -22.031 24.058 1.00 24.32 ATOM 320 CB LEU 21 8.150 -22.060 23.827 1.00 22.23 ATOM 321 HB1 LEU 21 8.345 -22.154 24.886 1.00 38.37 ATOM 322 HB2 LEU 21 8.904 -21.414 23.397 1.00 41.13 ATOM 323 CG LEU 21 8.291 -23.452 23.187 1.00 10.52 ATOM 324 HG LEU 21 8.197 -23.355 22.115 1.00 65.12 ATOM 325 CD1 LEU 21 9.665 -24.049 23.480 1.00 34.42 ATOM 326 HD11 LEU 21 10.433 -23.384 23.111 1.00 12.42 ATOM 327 HD12 LEU 21 9.755 -25.007 22.986 1.00 40.21 ATOM 328 HD13 LEU 21 9.784 -24.181 24.546 1.00 22.15 ATOM 329 CD2 LEU 21 7.186 -24.384 23.671 1.00 74.33 ATOM 330 HD21 LEU 21 6.224 -23.981 23.389 1.00 32.50 ATOM 331 HD22 LEU 21 7.234 -24.479 24.746 1.00 22.34 ATOM 332 HD23 LEU 21 7.311 -25.358 23.219 1.00 20.33 ATOM 333 C LEU 21 6.757 -20.049 24.417 1.00 73.22 ATOM 334 O LEU 21 6.340 -19.990 25.581 1.00 41.52 ATOM 335 N ILE 22 7.209 -18.980 23.761 1.00 72.12 ATOM 336 HN ILE 22 7.553 -19.094 22.847 1.00 38.37 ATOM 337 CA ILE 22 7.220 -17.642 24.366 1.00 12.41 ATOM 338 HA ILE 22 7.736 -17.716 25.316 1.00 15.11 ATOM 339 CB ILE 22 7.991 -16.627 23.479 1.00 43.03 ATOM 340 HB ILE 22 7.517 -16.605 22.506 1.00 34.12 ATOM 341 CG1 ILE 22 9.454 -17.072 23.309 1.00 33.41 ATOM 342 HG11 ILE 22 9.474 -18.077 22.909 1.00 38.37 ATOM 343 HG12 ILE 22 9.943 -17.068 24.273 1.00 12.25 ATOM 344 CG2 ILE 22 7.917 -15.215 24.071 1.00 44.43 ATOM 345 HG21 ILE 22 8.462 -14.528 23.439 1.00 61.33 ATOM 346 HG22 ILE 22 8.351 -15.211 25.063 1.00 62.23 ATOM 347 HG23 ILE 22 6.883 -14.903 24.131 1.00 70.52 ATOM 348 CD1 ILE 22 10.259 -16.188 22.379 1.00 22.42 ATOM 349 HD11 ILE 22 10.301 -15.187 22.780 1.00 13.01 ATOM 350 HD12 ILE 22 9.789 -16.167 21.406 1.00 20.35 ATOM 351 HD13 ILE 22 11.260 -16.581 22.286 1.00 30.23 ATOM 352 C ILE 22 5.791 -17.127 24.622 1.00 61.31 ATOM 353 O ILE 22 5.470 -16.695 25.730 1.00 22.42 ATOM 354 N THR 23 4.927 -17.196 23.606 1.00 42.45 ATOM 355 HN THR 23 5.228 -17.570 22.748 1.00 38.37 ATOM 356 CA THR 23 3.538 -16.713 23.741 1.00 3.41 ATOM 357 HA THR 23 3.590 -15.686 24.081 1.00 72.52 ATOM 358 CB THR 23 2.770 -16.726 22.391 1.00 4.24 ATOM 359 HB THR 23 3.304 -16.100 21.687 1.00 61.32 ATOM 360 OG1 THR 23 1.447 -16.196 22.569 1.00 42.14 ATOM 361 HG1 THR 23 0.988 -16.192 21.718 1.00 41.12 ATOM 362 CG2 THR 23 2.673 -18.132 21.809 1.00 22.12 ATOM 363 HG21 THR 23 2.151 -18.774 22.504 1.00 71.32 ATOM 364 HG22 THR 23 3.667 -18.521 21.636 1.00 54.42 ATOM 365 HG23 THR 23 2.131 -18.100 20.874 1.00 45.23 ATOM 366 C THR 23 2.746 -17.524 24.783 1.00 31.32 ATOM 367 O THR 23 1.915 -16.975 25.509 1.00 51.13 ATOM 368 N LEU 24 3.019 -18.830 24.871 1.00 31.43 ATOM 369 HN LEU 24 3.653 -19.230 24.237 1.00 38.37 ATOM 370 CA LEU 24 2.380 -19.688 25.883 1.00 12.45 ATOM 371 HA LEU 24 1.320 -19.470 25.873 1.00 22.35 ATOM 372 CB LEU 24 2.581 -21.174 25.539 1.00 22.01 ATOM 373 HB1 LEU 24 2.265 -21.763 26.391 1.00 38.37 ATOM 374 HB2 LEU 24 3.638 -21.343 25.383 1.00 63.31 ATOM 375 CG LEU 24 1.824 -21.684 24.298 1.00 35.45 ATOM 376 HG LEU 24 2.193 -21.173 23.418 1.00 5.24 ATOM 377 CD1 LEU 24 2.066 -23.176 24.101 1.00 32.33 ATOM 378 HD11 LEU 24 1.722 -23.717 24.970 1.00 30.43 ATOM 379 HD12 LEU 24 3.123 -23.356 23.961 1.00 54.25 ATOM 380 HD13 LEU 24 1.528 -23.518 23.229 1.00 23.32 ATOM 381 CD2 LEU 24 0.330 -21.396 24.421 1.00 54.35 ATOM 382 HD21 LEU 24 -0.182 -21.768 23.546 1.00 40.25 ATOM 383 HD22 LEU 24 0.174 -20.330 24.500 1.00 54.52 ATOM 384 HD23 LEU 24 -0.062 -21.883 25.302 1.00 44.04 ATOM 385 C LEU 24 2.920 -19.400 27.298 1.00 63.52 ATOM 386 O LEU 24 2.432 -19.954 28.284 1.00 74.35 ATOM 387 N GLY 25 3.939 -18.542 27.385 1.00 25.04 ATOM 388 HN GLY 25 4.317 -18.169 26.562 1.00 38.37 ATOM 389 CA GLY 25 4.489 -18.142 28.677 1.00 71.24 ATOM 390 HA1 GLY 25 3.675 -17.821 29.314 1.00 38.37 ATOM 391 HA2 GLY 25 5.153 -17.307 28.522 1.00 24.12 ATOM 392 C GLY 25 5.262 -19.248 29.390 1.00 54.34 ATOM 393 O GLY 25 5.441 -19.202 30.608 1.00 40.44 ATOM 394 N VAL 26 5.722 -20.247 28.641 1.00 52.32 ATOM 395 HN VAL 26 5.542 -20.243 27.677 1.00 38.37 ATOM 396 CA VAL 26 6.488 -21.354 29.229 1.00 70.22 ATOM 397 HA VAL 26 6.230 -21.412 30.279 1.00 51.21 ATOM 398 CB VAL 26 6.122 -22.711 28.574 1.00 53.12 ATOM 399 HB VAL 26 6.643 -23.496 29.110 1.00 55.44 ATOM 400 CG1 VAL 26 4.624 -22.975 28.697 1.00 25.11 ATOM 401 HG11 VAL 26 4.383 -23.916 28.223 1.00 54.23 ATOM 402 HG12 VAL 26 4.072 -22.179 28.214 1.00 54.41 ATOM 403 HG13 VAL 26 4.350 -23.020 29.741 1.00 31.53 ATOM 404 CG2 VAL 26 6.564 -22.760 27.113 1.00 50.51 ATOM 405 HG21 VAL 26 6.287 -23.711 26.681 1.00 44.32 ATOM 406 HG22 VAL 26 7.636 -22.640 27.055 1.00 61.35 ATOM 407 HG23 VAL 26 6.083 -21.963 26.563 1.00 53.13 ATOM 408 C VAL 26 8.001 -21.116 29.116 1.00 12.04 ATOM 409 O VAL 26 8.783 -21.616 29.928 1.00 63.04 ATOM 410 N LEU 27 8.399 -20.330 28.120 1.00 33.41 ATOM 411 HN LEU 27 7.724 -19.941 27.527 1.00 38.37 ATOM 412 CA LEU 27 9.812 -20.024 27.879 1.00 52.13 ATOM 413 HA LEU 27 10.397 -20.510 28.650 1.00 5.52 ATOM 414 CB LEU 27 10.229 -20.582 26.510 1.00 71.31 ATOM 415 HB1 LEU 27 9.615 -20.111 25.755 1.00 38.37 ATOM 416 HB2 LEU 27 10.018 -21.643 26.504 1.00 72.41 ATOM 417 CG LEU 27 11.705 -20.382 26.120 1.00 61.10 ATOM 418 HG LEU 27 11.910 -19.324 26.053 1.00 40.11 ATOM 419 CD1 LEU 27 12.636 -20.971 27.179 1.00 73.10 ATOM 420 HD11 LEU 27 12.479 -20.464 28.120 1.00 15.42 ATOM 421 HD12 LEU 27 13.663 -20.842 26.871 1.00 51.34 ATOM 422 HD13 LEU 27 12.428 -22.025 27.300 1.00 14.13 ATOM 423 CD2 LEU 27 11.983 -21.000 24.751 1.00 50.23 ATOM 424 HD21 LEU 27 13.025 -20.867 24.502 1.00 70.54 ATOM 425 HD22 LEU 27 11.371 -20.515 24.004 1.00 55.13 ATOM 426 HD23 LEU 27 11.753 -22.056 24.777 1.00 64.41 ATOM 427 C LEU 27 10.068 -18.509 27.944 1.00 31.34 ATOM 428 O LEU 27 9.178 -17.704 27.659 1.00 3.31 ATOM 429 N GLU 28 11.276 -18.130 28.356 1.00 43.23 ATOM 430 HN GLU 28 11.917 -18.816 28.635 1.00 38.37 ATOM 431 CA GLU 28 11.674 -16.720 28.430 1.00 24.43 ATOM 432 HA GLU 28 10.918 -16.187 28.988 1.00 12.42 ATOM 433 CB GLU 28 13.023 -16.587 29.160 1.00 45.23 ATOM 434 HB1 GLU 28 12.923 -16.998 30.156 1.00 38.37 ATOM 435 HB2 GLU 28 13.278 -15.539 29.238 1.00 64.04 ATOM 436 CG GLU 28 14.170 -17.311 28.453 1.00 63.54 ATOM 437 HG1 GLU 28 14.159 -17.031 27.408 1.00 38.37 ATOM 438 HG2 GLU 28 14.010 -18.377 28.535 1.00 42.40 ATOM 439 CD GLU 28 15.540 -16.982 29.032 1.00 33.22 ATOM 440 OE1 GLU 28 15.805 -17.349 30.197 1.00 73.53 ATOM 441 OE2 GLU 28 16.361 -16.355 28.322 1.00 71.14 ATOM 442 C GLU 28 11.808 -16.086 27.037 1.00 62.34 ATOM 443 O GLU 28 12.063 -16.772 26.046 1.00 2.32 ATOM 444 N SER 29 11.634 -14.769 26.971 1.00 75.11 ATOM 445 HN SER 29 11.273 -14.298 27.749 1.00 38.37 ATOM 446 CA SER 29 11.958 -14.016 25.757 1.00 51.21 ATOM 447 HA SER 29 11.669 -14.615 24.904 1.00 45.12 ATOM 448 CB SER 29 11.206 -12.679 25.711 1.00 12.22 ATOM 449 HB1 SER 29 11.494 -12.079 26.561 1.00 38.37 ATOM 450 HB2 SER 29 10.144 -12.867 25.747 1.00 13.04 ATOM 451 OG SER 29 11.498 -11.954 24.521 1.00 21.30 ATOM 452 HG SER 29 12.455 -11.880 24.416 1.00 64.23 ATOM 453 C SER 29 13.469 -13.764 25.707 1.00 61.43 ATOM 454 O SER 29 14.025 -13.130 26.604 1.00 54.52 ATOM 455 N PRO 30 14.149 -14.254 24.659 1.00 12.30 ATOM 456 CA PRO 30 15.624 -14.222 24.571 1.00 1.44 ATOM 457 HA PRO 30 16.069 -14.830 25.348 1.00 11.11 ATOM 458 CB PRO 30 15.908 -14.867 23.203 1.00 51.54 ATOM 459 HB1 PRO 30 16.163 -15.909 23.339 1.00 38.37 ATOM 460 HB2 PRO 30 16.725 -14.355 22.714 1.00 34.43 ATOM 461 CG PRO 30 14.632 -14.718 22.444 1.00 34.23 ATOM 462 HG1 PRO 30 14.557 -15.488 21.691 1.00 38.37 ATOM 463 HG2 PRO 30 14.582 -13.736 21.990 1.00 10.43 ATOM 464 CD PRO 30 13.548 -14.875 23.466 1.00 21.55 ATOM 465 HD1 PRO 30 13.336 -15.921 23.641 1.00 38.37 ATOM 466 HD2 PRO 30 12.653 -14.350 23.159 1.00 62.12 ATOM 467 C PRO 30 16.237 -12.811 24.628 1.00 12.34 ATOM 468 O PRO 30 15.751 -11.872 23.991 1.00 60.32 ATOM 469 N LYS 31 17.312 -12.675 25.402 1.00 75.12 ATOM 470 HN LYS 31 17.564 -13.416 25.995 1.00 38.37 ATOM 471 CA LYS 31 18.134 -11.458 25.400 1.00 32.44 ATOM 472 HA LYS 31 17.511 -10.632 25.086 1.00 4.41 ATOM 473 CB LYS 31 18.693 -11.165 26.804 1.00 13.30 ATOM 474 HB1 LYS 31 19.428 -10.375 26.725 1.00 38.37 ATOM 475 HB2 LYS 31 19.181 -12.055 27.177 1.00 72.00 ATOM 476 CG LYS 31 17.640 -10.733 27.827 1.00 14.51 ATOM 477 HG1 LYS 31 17.012 -9.974 27.380 1.00 38.37 ATOM 478 HG2 LYS 31 18.143 -10.315 28.687 1.00 33.45 ATOM 479 CD LYS 31 16.758 -11.891 28.293 1.00 60.50 ATOM 480 HD1 LYS 31 16.349 -12.393 27.426 1.00 38.37 ATOM 481 HD2 LYS 31 15.949 -11.496 28.892 1.00 11.31 ATOM 482 CE LYS 31 17.538 -12.902 29.127 1.00 70.14 ATOM 483 HE1 LYS 31 17.981 -12.390 29.970 1.00 38.37 ATOM 484 HE2 LYS 31 18.320 -13.329 28.516 1.00 54.40 ATOM 485 NZ LYS 31 16.669 -14.000 29.630 1.00 53.44 ATOM 486 HZ1 LYS 31 15.787 -13.612 30.023 1.00 12.43 ATOM 487 HZ2 LYS 31 17.160 -14.529 30.380 1.00 73.32 ATOM 488 HZ3 LYS 31 16.435 -14.657 28.860 1.00 41.21 ATOM 489 C LYS 31 19.287 -11.615 24.400 1.00 44.15 ATOM 490 O LYS 31 19.922 -10.640 23.988 1.00 52.53 ATOM 491 N LYS 32 19.548 -12.867 24.032 1.00 21.55 ATOM 492 HN LYS 32 19.034 -13.590 24.446 1.00 38.37 ATOM 493 CA LYS 32 20.567 -13.209 23.040 1.00 3.25 ATOM 494 HA LYS 32 21.327 -12.441 23.052 1.00 54.32 ATOM 495 CB LYS 32 21.209 -14.557 23.401 1.00 33.34 ATOM 496 HB1 LYS 32 21.736 -14.451 24.335 1.00 38.37 ATOM 497 HB2 LYS 32 21.917 -14.828 22.629 1.00 35.41 ATOM 498 CG LYS 32 20.192 -15.692 23.544 1.00 32.33 ATOM 499 HG1 LYS 32 19.681 -15.818 22.598 1.00 38.37 ATOM 500 HG2 LYS 32 19.473 -15.416 24.300 1.00 63.33 ATOM 501 CD LYS 32 20.825 -17.026 23.942 1.00 4.42 ATOM 502 HD1 LYS 32 20.034 -17.734 24.148 1.00 38.37 ATOM 503 HD2 LYS 32 21.413 -16.879 24.837 1.00 13.14 ATOM 504 CE LYS 32 21.730 -17.601 22.853 1.00 40.31 ATOM 505 HE1 LYS 32 21.272 -17.425 21.889 1.00 38.37 ATOM 506 HE2 LYS 32 21.832 -18.665 23.009 1.00 4.23 ATOM 507 NZ LYS 32 23.084 -16.985 22.861 1.00 42.31 ATOM 508 HZ1 LYS 32 23.011 -15.952 22.867 1.00 70.13 ATOM 509 HZ2 LYS 32 23.613 -17.272 22.013 1.00 53.22 ATOM 510 HZ3 LYS 32 23.614 -17.293 23.702 1.00 60.20 ATOM 511 C LYS 32 19.962 -13.295 21.633 1.00 22.31 ATOM 512 O LYS 32 18.799 -13.668 21.464 1.00 31.31 ATOM 513 N THR 33 20.753 -12.952 20.625 1.00 75.31 ATOM 514 HN THR 33 21.637 -12.573 20.822 1.00 38.37 ATOM 515 CA THR 33 20.330 -13.127 19.230 1.00 41.33 ATOM 516 HA THR 33 19.296 -12.811 19.153 1.00 10.21 ATOM 517 CB THR 33 21.176 -12.275 18.242 1.00 30.01 ATOM 518 HB THR 33 22.211 -12.583 18.315 1.00 43.14 ATOM 519 OG1 THR 33 21.081 -10.882 18.582 1.00 21.45 ATOM 520 HG1 THR 33 21.439 -10.742 19.466 1.00 33.20 ATOM 521 CG2 THR 33 20.709 -12.470 16.801 1.00 31.04 ATOM 522 HG21 THR 33 19.667 -12.195 16.719 1.00 23.23 ATOM 523 HG22 THR 33 20.831 -13.506 16.518 1.00 64.41 ATOM 524 HG23 THR 33 21.297 -11.847 16.143 1.00 71.34 ATOM 525 C THR 33 20.427 -14.609 18.841 1.00 54.13 ATOM 526 O THR 33 21.501 -15.099 18.486 1.00 31.43 ATOM 527 N ILE 34 19.308 -15.323 18.953 1.00 15.33 ATOM 528 HN ILE 34 18.477 -14.867 19.202 1.00 38.37 ATOM 529 CA ILE 34 19.283 -16.773 18.720 1.00 41.11 ATOM 530 HA ILE 34 20.023 -17.216 19.373 1.00 61.01 ATOM 531 CB ILE 34 17.903 -17.386 19.079 1.00 42.03 ATOM 532 HB ILE 34 17.158 -16.946 18.429 1.00 31.24 ATOM 533 CG1 ILE 34 17.541 -17.068 20.542 1.00 30.32 ATOM 534 HG11 ILE 34 17.506 -15.995 20.671 1.00 38.37 ATOM 535 HG12 ILE 34 18.298 -17.476 21.194 1.00 44.24 ATOM 536 CG2 ILE 34 17.902 -18.899 18.840 1.00 53.42 ATOM 537 HG21 ILE 34 18.644 -19.368 19.473 1.00 41.41 ATOM 538 HG22 ILE 34 18.135 -19.103 17.804 1.00 4.20 ATOM 539 HG23 ILE 34 16.927 -19.303 19.072 1.00 54.30 ATOM 540 CD1 ILE 34 16.204 -17.628 20.980 1.00 73.00 ATOM 541 HD11 ILE 34 16.208 -18.703 20.872 1.00 54.40 ATOM 542 HD12 ILE 34 15.418 -17.207 20.369 1.00 34.30 ATOM 543 HD13 ILE 34 16.030 -17.372 22.016 1.00 41.43 ATOM 544 C ILE 34 19.644 -17.130 17.269 1.00 62.20 ATOM 545 O ILE 34 18.839 -16.971 16.350 1.00 35.23 ATOM 546 N SER 35 20.870 -17.603 17.079 1.00 10.44 ATOM 547 HN SER 35 21.476 -17.663 17.849 1.00 38.37 ATOM 548 CA SER 35 21.346 -18.050 15.767 1.00 22.32 ATOM 549 HA SER 35 20.989 -17.352 15.022 1.00 51.51 ATOM 550 CB SER 35 22.878 -18.071 15.741 1.00 35.22 ATOM 551 HB1 SER 35 23.254 -17.065 15.866 1.00 38.37 ATOM 552 HB2 SER 35 23.219 -18.466 14.796 1.00 11.52 ATOM 553 OG SER 35 23.392 -18.885 16.786 1.00 32.20 ATOM 554 HG SER 35 24.320 -19.085 16.610 1.00 10.51 ATOM 555 C SER 35 20.810 -19.448 15.444 1.00 61.25 ATOM 556 O SER 35 20.316 -19.703 14.342 1.00 55.22 ATOM 557 N ASP 36 20.918 -20.350 16.416 1.00 62.33 ATOM 558 HN ASP 36 21.348 -20.085 17.257 1.00 38.37 ATOM 559 CA ASP 36 20.421 -21.721 16.281 1.00 32.55 ATOM 560 HA ASP 36 20.008 -21.825 15.285 1.00 12.12 ATOM 561 CB ASP 36 21.574 -22.721 16.442 1.00 74.21 ATOM 562 HB1 ASP 36 22.108 -22.496 17.356 1.00 38.37 ATOM 563 HB2 ASP 36 22.249 -22.620 15.605 1.00 41.33 ATOM 564 CG ASP 36 21.098 -24.165 16.501 1.00 43.54 ATOM 565 OD1 ASP 36 21.576 -24.918 17.373 1.00 3.44 ATOM 566 OD2 ASP 36 20.227 -24.548 15.692 1.00 4.51 ATOM 567 C ASP 36 19.307 -22.005 17.307 1.00 10.35 ATOM 568 O ASP 36 19.574 -22.242 18.488 1.00 23.03 ATOM 569 N PRO 37 18.034 -21.974 16.867 1.00 43.23 ATOM 570 CA PRO 37 16.884 -22.223 17.753 1.00 54.15 ATOM 571 HA PRO 37 16.920 -21.590 18.630 1.00 45.23 ATOM 572 CB PRO 37 15.685 -21.825 16.883 1.00 65.14 ATOM 573 HB1 PRO 37 15.433 -20.788 17.060 1.00 38.37 ATOM 574 HB2 PRO 37 14.834 -22.450 17.122 1.00 64.42 ATOM 575 CG PRO 37 16.150 -22.041 15.483 1.00 64.05 ATOM 576 HG1 PRO 37 15.607 -21.394 14.810 1.00 38.37 ATOM 577 HG2 PRO 37 16.008 -23.076 15.203 1.00 5.34 ATOM 578 CD PRO 37 17.613 -21.692 15.478 1.00 14.24 ATOM 579 HD1 PRO 37 17.753 -20.647 15.240 1.00 38.37 ATOM 580 HD2 PRO 37 18.149 -22.316 14.776 1.00 44.15 ATOM 581 C PRO 37 16.773 -23.693 18.193 1.00 20.11 ATOM 582 O PRO 37 16.201 -23.994 19.241 1.00 12.52 ATOM 583 N GLU 38 17.332 -24.600 17.392 1.00 2.24 ATOM 584 HN GLU 38 17.813 -24.298 16.594 1.00 38.37 ATOM 585 CA GLU 38 17.267 -26.039 17.681 1.00 54.43 ATOM 586 HA GLU 38 16.235 -26.283 17.897 1.00 60.14 ATOM 587 CB GLU 38 17.715 -26.842 16.448 1.00 11.22 ATOM 588 HB1 GLU 38 17.706 -27.896 16.692 1.00 38.37 ATOM 589 HB2 GLU 38 18.725 -26.550 16.189 1.00 20.54 ATOM 590 CG GLU 38 16.822 -26.623 15.227 1.00 4.00 ATOM 591 HG1 GLU 38 16.794 -25.564 15.007 1.00 38.37 ATOM 592 HG2 GLU 38 15.824 -26.961 15.466 1.00 51.11 ATOM 593 CD GLU 38 17.295 -27.366 13.987 1.00 75.34 ATOM 594 OE1 GLU 38 17.076 -28.592 13.904 1.00 63.32 ATOM 595 OE2 GLU 38 17.875 -26.720 13.085 1.00 71.24 ATOM 596 C GLU 38 18.118 -26.398 18.910 1.00 60.11 ATOM 597 O GLU 38 17.644 -27.058 19.838 1.00 52.23 ATOM 598 N GLY 39 19.370 -25.945 18.923 1.00 71.13 ATOM 599 HN GLY 39 19.720 -25.473 18.135 1.00 38.37 ATOM 600 CA GLY 39 20.228 -26.145 20.088 1.00 53.54 ATOM 601 HA1 GLY 39 21.222 -25.796 19.854 1.00 38.37 ATOM 602 HA2 GLY 39 20.272 -27.202 20.313 1.00 11.41 ATOM 603 C GLY 39 19.719 -25.395 21.316 1.00 31.53 ATOM 604 O GLY 39 19.824 -25.879 22.446 1.00 75.15 ATOM 605 N PHE 40 19.160 -24.206 21.084 1.00 43.51 ATOM 606 HN PHE 40 19.176 -23.848 20.171 1.00 38.37 ATOM 607 CA PHE 40 18.538 -23.412 22.148 1.00 32.05 ATOM 608 HA PHE 40 19.296 -23.203 22.891 1.00 23.25 ATOM 609 CB PHE 40 18.025 -22.083 21.569 1.00 42.31 ATOM 610 HB1 PHE 40 17.284 -22.294 20.810 1.00 38.37 ATOM 611 HB2 PHE 40 18.851 -21.556 21.112 1.00 1.45 ATOM 612 CG PHE 40 17.399 -21.162 22.588 1.00 34.34 ATOM 613 CD1 PHE 40 18.191 -20.432 23.465 1.00 51.43 ATOM 614 HD1 PHE 40 19.265 -20.532 23.416 1.00 1.43 ATOM 615 CD2 PHE 40 16.020 -21.020 22.665 1.00 21.24 ATOM 616 HD2 PHE 40 15.390 -21.582 21.989 1.00 44.44 ATOM 617 CE1 PHE 40 17.620 -19.583 24.394 1.00 32.30 ATOM 618 HE1 PHE 40 18.248 -19.021 25.070 1.00 14.41 ATOM 619 CE2 PHE 40 15.446 -20.172 23.593 1.00 71.54 ATOM 620 HE2 PHE 40 14.373 -20.071 23.639 1.00 41.24 ATOM 621 CZ PHE 40 16.246 -19.453 24.457 1.00 12.21 ATOM 622 HZ PHE 40 15.800 -18.790 25.184 1.00 12.41 ATOM 623 C PHE 40 17.388 -24.187 22.818 1.00 2.20 ATOM 624 O PHE 40 17.301 -24.255 24.047 1.00 4.31 ATOM 625 N LEU 41 16.511 -24.777 22.003 1.00 22.33 ATOM 626 HN LEU 41 16.606 -24.659 21.035 1.00 38.37 ATOM 627 CA LEU 41 15.404 -25.592 22.519 1.00 11.21 ATOM 628 HA LEU 41 14.849 -24.977 23.215 1.00 52.51 ATOM 629 CB LEU 41 14.463 -26.018 21.383 1.00 5.03 ATOM 630 HB1 LEU 41 13.778 -26.760 21.770 1.00 38.37 ATOM 631 HB2 LEU 41 15.060 -26.478 20.607 1.00 31.30 ATOM 632 CG LEU 41 13.638 -24.887 20.748 1.00 24.22 ATOM 633 HG LEU 41 14.310 -24.174 20.295 1.00 14.43 ATOM 634 CD1 LEU 41 12.730 -25.431 19.648 1.00 33.34 ATOM 635 HD11 LEU 41 12.156 -24.621 19.220 1.00 60.52 ATOM 636 HD12 LEU 41 12.057 -26.167 20.066 1.00 62.31 ATOM 637 HD13 LEU 41 13.332 -25.891 18.877 1.00 4.55 ATOM 638 CD2 LEU 41 12.824 -24.152 21.812 1.00 53.25 ATOM 639 HD21 LEU 41 13.493 -23.707 22.532 1.00 33.24 ATOM 640 HD22 LEU 41 12.169 -24.849 22.314 1.00 51.01 ATOM 641 HD23 LEU 41 12.233 -23.377 21.345 1.00 75.43 ATOM 642 C LEU 41 15.912 -26.832 23.268 1.00 44.15 ATOM 643 O LEU 41 15.393 -27.176 24.325 1.00 71.23 ATOM 644 N GLN 42 16.927 -27.496 22.722 1.00 74.44 ATOM 645 HN GLN 42 17.278 -27.202 21.854 1.00 38.37 ATOM 646 CA GLN 42 17.523 -28.666 23.381 1.00 50.20 ATOM 647 HA GLN 42 16.749 -29.416 23.472 1.00 32.12 ATOM 648 CB GLN 42 18.668 -29.238 22.519 1.00 64.22 ATOM 649 HB1 GLN 42 19.427 -28.477 22.405 1.00 38.37 ATOM 650 HB2 GLN 42 18.275 -29.480 21.540 1.00 61.24 ATOM 651 CG GLN 42 19.333 -30.499 23.088 1.00 50.11 ATOM 652 HG1 GLN 42 19.828 -31.023 22.282 1.00 38.37 ATOM 653 HG2 GLN 42 18.566 -31.135 23.506 1.00 33.12 ATOM 654 CD GLN 42 20.360 -30.208 24.175 1.00 64.31 ATOM 655 OE1 GLN 42 21.019 -29.175 24.164 1.00 11.40 ATOM 656 NE2 GLN 42 20.494 -31.108 25.125 1.00 32.02 ATOM 657 HE21 GLN 42 19.932 -31.909 25.089 1.00 54.42 ATOM 658 HE22 GLN 42 21.151 -30.935 25.831 1.00 74.21 ATOM 659 C GLN 42 18.022 -28.311 24.793 1.00 64.52 ATOM 660 O GLN 42 17.679 -28.979 25.768 1.00 52.32 ATOM 661 N ALA 43 18.816 -27.246 24.894 1.00 64.24 ATOM 662 HN ALA 43 19.040 -26.740 24.080 1.00 38.37 ATOM 663 CA ALA 43 19.375 -26.809 26.180 1.00 13.44 ATOM 664 HA ALA 43 19.919 -27.643 26.604 1.00 12.44 ATOM 665 CB ALA 43 20.365 -25.671 25.954 1.00 15.12 ATOM 666 HB1 ALA 43 21.133 -25.994 25.267 1.00 53.43 ATOM 667 HB2 ALA 43 20.819 -25.393 26.895 1.00 71.42 ATOM 668 HB3 ALA 43 19.848 -24.817 25.539 1.00 13.13 ATOM 669 C ALA 43 18.279 -26.376 27.172 1.00 54.42 ATOM 670 O ALA 43 18.415 -26.559 28.384 1.00 25.43 ATOM 671 N SER 44 17.197 -25.803 26.648 1.00 64.00 ATOM 672 HN SER 44 17.150 -25.688 25.674 1.00 38.37 ATOM 673 CA SER 44 16.074 -25.329 27.479 1.00 54.51 ATOM 674 HA SER 44 16.489 -24.839 28.349 1.00 12.04 ATOM 675 CB SER 44 15.235 -24.314 26.691 1.00 4.34 ATOM 676 HB1 SER 44 14.917 -24.759 25.759 1.00 38.37 ATOM 677 HB2 SER 44 15.834 -23.438 26.483 1.00 12.41 ATOM 678 OG SER 44 14.087 -23.913 27.420 1.00 3.13 ATOM 679 HG SER 44 13.768 -23.077 27.075 1.00 45.52 ATOM 680 C SER 44 15.171 -26.485 27.946 1.00 71.12 ATOM 681 O SER 44 14.917 -26.656 29.142 1.00 52.34 ATOM 682 N LEU 45 14.693 -27.282 26.992 1.00 54.52 ATOM 683 HN LEU 45 14.953 -27.114 26.066 1.00 38.37 ATOM 684 CA LEU 45 13.787 -28.404 27.281 1.00 4.01 ATOM 685 HA LEU 45 13.014 -28.045 27.945 1.00 11.43 ATOM 686 CB LEU 45 13.139 -28.891 25.976 1.00 23.14 ATOM 687 HB1 LEU 45 12.430 -29.669 26.220 1.00 38.37 ATOM 688 HB2 LEU 45 13.915 -29.319 25.355 1.00 74.24 ATOM 689 CG LEU 45 12.407 -27.812 25.158 1.00 62.12 ATOM 690 HG LEU 45 13.107 -27.026 24.913 1.00 44.21 ATOM 691 CD1 LEU 45 11.884 -28.390 23.847 1.00 51.23 ATOM 692 HD11 LEU 45 11.202 -29.203 24.055 1.00 64.13 ATOM 693 HD12 LEU 45 12.711 -28.756 23.258 1.00 12.33 ATOM 694 HD13 LEU 45 11.364 -27.619 23.295 1.00 53.40 ATOM 695 CD2 LEU 45 11.271 -27.194 25.965 1.00 54.25 ATOM 696 HD21 LEU 45 10.559 -27.961 26.238 1.00 3.45 ATOM 697 HD22 LEU 45 10.776 -26.439 25.372 1.00 71.44 ATOM 698 HD23 LEU 45 11.670 -26.740 26.860 1.00 51.53 ATOM 699 C LEU 45 14.525 -29.571 27.962 1.00 44.32 ATOM 700 O LEU 45 13.898 -30.515 28.445 1.00 51.42 ATOM 701 N LYS 46 15.855 -29.484 27.988 1.00 2.34 ATOM 702 HN LYS 46 16.275 -28.699 27.580 1.00 38.37 ATOM 703 CA LYS 46 16.726 -30.513 28.576 1.00 54.12 ATOM 704 HA LYS 46 16.724 -31.364 27.912 1.00 23.45 ATOM 705 CB LYS 46 18.157 -29.959 28.663 1.00 72.53 ATOM 706 HB1 LYS 46 18.157 -29.096 29.317 1.00 38.37 ATOM 707 HB2 LYS 46 18.466 -29.644 27.676 1.00 33.15 ATOM 708 CG LYS 46 19.186 -30.952 29.186 1.00 25.23 ATOM 709 HG1 LYS 46 19.176 -31.831 28.555 1.00 38.37 ATOM 710 HG2 LYS 46 18.924 -31.230 30.197 1.00 30.14 ATOM 711 CD LYS 46 20.589 -30.355 29.185 1.00 2.30 ATOM 712 HD1 LYS 46 20.598 -29.482 29.824 1.00 38.37 ATOM 713 HD2 LYS 46 20.844 -30.064 28.177 1.00 42.03 ATOM 714 CE LYS 46 21.632 -31.343 29.686 1.00 11.33 ATOM 715 HE1 LYS 46 21.608 -32.225 29.062 1.00 38.37 ATOM 716 HE2 LYS 46 21.395 -31.617 30.704 1.00 51.44 ATOM 717 NZ LYS 46 22.999 -30.763 29.647 1.00 71.14 ATOM 718 HZ1 LYS 46 23.037 -29.901 30.232 1.00 52.42 ATOM 719 HZ2 LYS 46 23.257 -30.518 28.670 1.00 31.33 ATOM 720 HZ3 LYS 46 23.689 -31.448 30.016 1.00 44.22 ATOM 721 C LYS 46 16.255 -30.969 29.970 1.00 71.43 ATOM 722 O LYS 46 16.073 -32.161 30.217 1.00 22.22 ATOM 723 N ASP 47 16.052 -30.013 30.874 1.00 15.23 ATOM 724 HN ASP 47 16.182 -29.077 30.613 1.00 38.37 ATOM 725 CA ASP 47 15.647 -30.320 32.252 1.00 70.41 ATOM 726 HA ASP 47 16.289 -31.113 32.613 1.00 60.11 ATOM 727 CB ASP 47 15.850 -29.085 33.137 1.00 12.13 ATOM 728 HB1 ASP 47 15.615 -29.337 34.163 1.00 38.37 ATOM 729 HB2 ASP 47 15.188 -28.297 32.806 1.00 64.22 ATOM 730 CG ASP 47 17.281 -28.576 33.078 1.00 74.11 ATOM 731 OD1 ASP 47 17.540 -27.597 32.342 1.00 20.11 ATOM 732 OD2 ASP 47 18.155 -29.159 33.753 1.00 61.52 ATOM 733 C ASP 47 14.185 -30.806 32.334 1.00 35.31 ATOM 734 O ASP 47 13.716 -31.214 33.397 1.00 74.41 ATOM 735 N GLY 48 13.463 -30.741 31.213 1.00 1.31 ATOM 736 HN GLY 48 13.869 -30.354 30.408 1.00 38.37 ATOM 737 CA GLY 48 12.094 -31.253 31.155 1.00 53.41 ATOM 738 HA1 GLY 48 12.053 -32.188 31.697 1.00 38.37 ATOM 739 HA2 GLY 48 11.845 -31.445 30.123 1.00 33.54 ATOM 740 C GLY 48 11.041 -30.308 31.739 1.00 75.41 ATOM 741 O GLY 48 9.862 -30.390 31.384 1.00 10.55 ATOM 742 N VAL 49 11.461 -29.409 32.627 1.00 41.51 ATOM 743 HN VAL 49 12.418 -29.355 32.828 1.00 38.37 ATOM 744 CA VAL 49 10.534 -28.502 33.316 1.00 33.53 ATOM 745 HA VAL 49 9.842 -29.113 33.880 1.00 23.54 ATOM 746 CB VAL 49 11.283 -27.583 34.314 1.00 75.33 ATOM 747 HB VAL 49 11.910 -26.907 33.746 1.00 74.53 ATOM 748 CG1 VAL 49 10.300 -26.742 35.131 1.00 55.21 ATOM 749 HG11 VAL 49 9.622 -27.394 35.667 1.00 43.52 ATOM 750 HG12 VAL 49 9.734 -26.100 34.470 1.00 72.15 ATOM 751 HG13 VAL 49 10.846 -26.134 35.838 1.00 24.12 ATOM 752 CG2 VAL 49 12.187 -28.407 35.232 1.00 4.34 ATOM 753 HG21 VAL 49 11.586 -29.089 35.817 1.00 50.11 ATOM 754 HG22 VAL 49 12.728 -27.747 35.896 1.00 34.20 ATOM 755 HG23 VAL 49 12.891 -28.970 34.637 1.00 51.15 ATOM 756 C VAL 49 9.727 -27.635 32.329 1.00 51.21 ATOM 757 O VAL 49 8.515 -27.462 32.488 1.00 33.11 ATOM 758 N VAL 50 10.397 -27.091 31.310 1.00 45.00 ATOM 759 HN VAL 50 11.370 -27.222 31.251 1.00 38.37 ATOM 760 CA VAL 50 9.710 -26.292 30.282 1.00 21.35 ATOM 761 HA VAL 50 9.190 -25.489 30.788 1.00 24.02 ATOM 762 CB VAL 50 10.709 -25.663 29.273 1.00 43.13 ATOM 763 HB VAL 50 11.207 -26.465 28.745 1.00 75.55 ATOM 764 CG1 VAL 50 9.976 -24.801 28.242 1.00 75.12 ATOM 765 HG11 VAL 50 10.690 -24.377 27.549 1.00 61.41 ATOM 766 HG12 VAL 50 9.448 -24.003 28.745 1.00 63.35 ATOM 767 HG13 VAL 50 9.269 -25.411 27.698 1.00 74.12 ATOM 768 CG2 VAL 50 11.773 -24.841 30.002 1.00 21.11 ATOM 769 HG21 VAL 50 11.299 -24.045 30.556 1.00 1.31 ATOM 770 HG22 VAL 50 12.460 -24.419 29.283 1.00 73.13 ATOM 771 HG23 VAL 50 12.317 -25.479 30.684 1.00 2.04 ATOM 772 C VAL 50 8.672 -27.140 29.521 1.00 50.12 ATOM 773 O VAL 50 7.576 -26.668 29.213 1.00 61.13 ATOM 774 N LEU 51 9.019 -28.400 29.243 1.00 0.44 ATOM 775 HN LEU 51 9.914 -28.709 29.488 1.00 38.37 ATOM 776 CA LEU 51 8.091 -29.336 28.590 1.00 61.40 ATOM 777 HA LEU 51 7.822 -28.920 27.628 1.00 75.05 ATOM 778 CB LEU 51 8.765 -30.700 28.375 1.00 44.21 ATOM 779 HB1 LEU 51 8.007 -31.407 28.068 1.00 38.37 ATOM 780 HB2 LEU 51 9.171 -31.026 29.323 1.00 31.33 ATOM 781 CG LEU 51 9.894 -30.732 27.336 1.00 22.04 ATOM 782 HG LEU 51 10.666 -30.032 27.627 1.00 53.11 ATOM 783 CD1 LEU 51 10.519 -32.123 27.272 1.00 0.33 ATOM 784 HD11 LEU 51 11.322 -32.126 26.550 1.00 43.32 ATOM 785 HD12 LEU 51 9.769 -32.844 26.977 1.00 45.13 ATOM 786 HD13 LEU 51 10.909 -32.389 28.245 1.00 1.52 ATOM 787 CD2 LEU 51 9.369 -30.314 25.963 1.00 63.41 ATOM 788 HD21 LEU 51 10.174 -30.346 25.243 1.00 64.54 ATOM 789 HD22 LEU 51 8.977 -29.309 26.016 1.00 21.52 ATOM 790 HD23 LEU 51 8.584 -30.991 25.653 1.00 51.40 ATOM 791 C LEU 51 6.815 -29.526 29.421 1.00 44.14 ATOM 792 O LEU 51 5.702 -29.465 28.897 1.00 71.45 ATOM 793 N CYS 52 6.988 -29.759 30.721 1.00 64.21 ATOM 794 HN CYS 52 7.903 -29.816 31.078 1.00 38.37 ATOM 795 CA CYS 52 5.854 -29.932 31.633 1.00 73.24 ATOM 796 HA CYS 52 5.277 -30.775 31.279 1.00 1.11 ATOM 797 CB CYS 52 6.353 -30.238 33.048 1.00 35.43 ATOM 798 HB1 CYS 52 5.505 -30.348 33.709 1.00 38.37 ATOM 799 HB2 CYS 52 6.971 -29.422 33.393 1.00 43.24 ATOM 800 SG CYS 52 7.336 -31.754 33.159 1.00 2.21 ATOM 801 HG CYS 52 7.601 -32.162 31.925 1.00 43.41 ATOM 802 C CYS 52 4.951 -28.691 31.636 1.00 2.33 ATOM 803 O CYS 52 3.729 -28.804 31.559 1.00 21.22 ATOM 804 N ARG 53 5.560 -27.506 31.716 1.00 21.23 ATOM 805 HN ARG 53 6.530 -27.477 31.868 1.00 38.37 ATOM 806 CA ARG 53 4.816 -26.246 31.590 1.00 73.04 ATOM 807 HA ARG 53 4.111 -26.197 32.409 1.00 2.34 ATOM 808 CB ARG 53 5.767 -25.042 31.679 1.00 23.54 ATOM 809 HB1 ARG 53 5.305 -24.196 31.186 1.00 38.37 ATOM 810 HB2 ARG 53 6.685 -25.285 31.161 1.00 71.13 ATOM 811 CG ARG 53 6.117 -24.626 33.105 1.00 41.00 ATOM 812 HG1 ARG 53 6.591 -25.458 33.607 1.00 38.37 ATOM 813 HG2 ARG 53 5.207 -24.363 33.626 1.00 41.54 ATOM 814 CD ARG 53 7.064 -23.428 33.126 1.00 32.43 ATOM 815 HD1 ARG 53 6.767 -22.734 32.350 1.00 38.37 ATOM 816 HD2 ARG 53 8.069 -23.773 32.930 1.00 74.24 ATOM 817 NE ARG 53 7.037 -22.737 34.413 1.00 22.44 ATOM 818 HE ARG 53 6.306 -22.102 34.568 1.00 71.41 ATOM 819 CZ ARG 53 7.914 -22.898 35.364 1.00 51.34 ATOM 820 NH1 ARG 53 8.906 -23.717 35.227 1.00 45.42 ATOM 821 HH11 ARG 53 9.013 -24.229 34.386 1.00 62.01 ATOM 822 HH12 ARG 53 9.560 -23.830 35.975 1.00 63.04 ATOM 823 NH2 ARG 53 7.787 -22.242 36.466 1.00 64.15 ATOM 824 HH21 ARG 53 7.023 -21.613 36.584 1.00 33.13 ATOM 825 HH22 ARG 53 8.455 -22.365 37.196 1.00 11.23 ATOM 826 C ARG 53 4.037 -26.190 30.265 1.00 53.12 ATOM 827 O ARG 53 2.855 -25.844 30.240 1.00 24.31 ATOM 828 N LEU 54 4.717 -26.535 29.174 1.00 23.21 ATOM 829 HN LEU 54 5.657 -26.796 29.267 1.00 38.37 ATOM 830 CA LEU 54 4.114 -26.539 27.835 1.00 41.13 ATOM 831 HA LEU 54 3.851 -25.520 27.588 1.00 55.03 ATOM 832 CB LEU 54 5.143 -27.046 26.813 1.00 25.33 ATOM 833 HB1 LEU 54 5.488 -28.018 27.137 1.00 38.37 ATOM 834 HB2 LEU 54 5.986 -26.369 26.820 1.00 52.04 ATOM 835 CG LEU 54 4.641 -27.177 25.366 1.00 34.14 ATOM 836 HG LEU 54 3.823 -27.885 25.340 1.00 64.44 ATOM 837 CD1 LEU 54 4.117 -25.842 24.848 1.00 0.14 ATOM 838 HD11 LEU 54 4.901 -25.099 24.896 1.00 41.43 ATOM 839 HD12 LEU 54 3.280 -25.523 25.454 1.00 32.23 ATOM 840 HD13 LEU 54 3.793 -25.956 23.823 1.00 34.32 ATOM 841 CD2 LEU 54 5.751 -27.712 24.463 1.00 51.14 ATOM 842 HD21 LEU 54 5.380 -27.802 23.452 1.00 43.53 ATOM 843 HD22 LEU 54 6.065 -28.684 24.815 1.00 62.30 ATOM 844 HD23 LEU 54 6.591 -27.034 24.480 1.00 2.42 ATOM 845 C LEU 54 2.843 -27.404 27.787 1.00 53.24 ATOM 846 O LEU 54 1.781 -26.944 27.361 1.00 12.40 ATOM 847 N LEU 55 2.955 -28.651 28.240 1.00 11.22 ATOM 848 HN LEU 55 3.822 -28.958 28.586 1.00 38.37 ATOM 849 CA LEU 55 1.819 -29.578 28.234 1.00 3.20 ATOM 850 HA LEU 55 1.438 -29.616 27.223 1.00 11.21 ATOM 851 CB LEU 55 2.281 -30.988 28.641 1.00 14.22 ATOM 852 HB1 LEU 55 2.632 -30.947 29.663 1.00 38.37 ATOM 853 HB2 LEU 55 3.112 -31.263 28.007 1.00 11.22 ATOM 854 CG LEU 55 1.212 -32.094 28.544 1.00 61.32 ATOM 855 HG LEU 55 0.396 -31.859 29.215 1.00 53.13 ATOM 856 CD1 LEU 55 0.643 -32.174 27.129 1.00 31.13 ATOM 857 HD11 LEU 55 0.188 -31.228 26.871 1.00 73.34 ATOM 858 HD12 LEU 55 -0.104 -32.954 27.082 1.00 73.15 ATOM 859 HD13 LEU 55 1.438 -32.393 26.430 1.00 33.44 ATOM 860 CD2 LEU 55 1.794 -33.444 28.966 1.00 24.23 ATOM 861 HD21 LEU 55 1.030 -34.206 28.896 1.00 55.31 ATOM 862 HD22 LEU 55 2.144 -33.384 29.986 1.00 12.14 ATOM 863 HD23 LEU 55 2.620 -33.702 28.318 1.00 63.42 ATOM 864 C LEU 55 0.690 -29.093 29.161 1.00 64.12 ATOM 865 O LEU 55 -0.485 -29.246 28.843 1.00 71.13 ATOM 866 N GLU 56 1.054 -28.492 30.293 1.00 54.52 ATOM 867 HN GLU 56 2.010 -28.393 30.494 1.00 38.37 ATOM 868 CA GLU 56 0.064 -27.987 31.258 1.00 64.01 ATOM 869 HA GLU 56 -0.642 -28.786 31.440 1.00 64.43 ATOM 870 CB GLU 56 0.747 -27.632 32.588 1.00 53.12 ATOM 871 HB1 GLU 56 0.056 -27.066 33.196 1.00 38.37 ATOM 872 HB2 GLU 56 1.613 -27.019 32.381 1.00 11.42 ATOM 873 CG GLU 56 1.203 -28.847 33.391 1.00 30.32 ATOM 874 HG1 GLU 56 1.767 -28.506 34.248 1.00 38.37 ATOM 875 HG2 GLU 56 1.840 -29.455 32.765 1.00 53.14 ATOM 876 CD GLU 56 0.040 -29.699 33.880 1.00 33.33 ATOM 877 OE1 GLU 56 -0.305 -30.696 33.215 1.00 44.21 ATOM 878 OE2 GLU 56 -0.544 -29.363 34.933 1.00 72.13 ATOM 879 C GLU 56 -0.716 -26.771 30.721 1.00 51.02 ATOM 880 O GLU 56 -1.836 -26.507 31.157 1.00 64.31 ATOM 881 N ARG 57 -0.119 -26.021 29.793 1.00 55.33 ATOM 882 HN ARG 57 0.810 -26.219 29.544 1.00 38.37 ATOM 883 CA ARG 57 -0.823 -24.902 29.143 1.00 23.01 ATOM 884 HA ARG 57 -1.289 -24.311 29.918 1.00 62.14 ATOM 885 CB ARG 57 0.161 -24.017 28.364 1.00 74.31 ATOM 886 HB1 ARG 57 -0.394 -23.237 27.861 1.00 38.37 ATOM 887 HB2 ARG 57 0.661 -24.623 27.620 1.00 14.51 ATOM 888 CG ARG 57 1.226 -23.358 29.236 1.00 1.40 ATOM 889 HG1 ARG 57 1.886 -22.780 28.602 1.00 38.37 ATOM 890 HG2 ARG 57 1.794 -24.130 29.734 1.00 0.51 ATOM 891 CD ARG 57 0.620 -22.436 30.291 1.00 22.34 ATOM 892 HD1 ARG 57 1.418 -22.043 30.907 1.00 38.37 ATOM 893 HD2 ARG 57 -0.056 -23.011 30.909 1.00 0.43 ATOM 894 NE ARG 57 -0.116 -21.322 29.700 1.00 33.44 ATOM 895 HE ARG 57 -0.209 -21.303 28.726 1.00 72.21 ATOM 896 CZ ARG 57 -0.656 -20.355 30.389 1.00 35.21 ATOM 897 NH1 ARG 57 -0.555 -20.324 31.680 1.00 40.34 ATOM 898 HH11 ARG 57 -0.059 -21.040 32.159 1.00 75.01 ATOM 899 HH12 ARG 57 -0.985 -19.583 32.196 1.00 20.11 ATOM 900 NH2 ARG 57 -1.298 -19.416 29.781 1.00 11.21 ATOM 901 HH21 ARG 57 -1.382 -19.436 28.786 1.00 41.12 ATOM 902 HH22 ARG 57 -1.700 -18.667 30.305 1.00 45.13 ATOM 903 C ARG 57 -1.913 -25.419 28.194 1.00 72.03 ATOM 904 O ARG 57 -3.050 -24.943 28.205 1.00 62.00 ATOM 905 N LEU 58 -1.548 -26.399 27.376 1.00 34.33 ATOM 906 HN LEU 58 -0.630 -26.738 27.427 1.00 38.37 ATOM 907 CA LEU 58 -2.468 -26.994 26.403 1.00 41.24 ATOM 908 HA LEU 58 -3.006 -26.192 25.916 1.00 13.04 ATOM 909 CB LEU 58 -1.664 -27.769 25.351 1.00 2.15 ATOM 910 HB1 LEU 58 -2.350 -28.138 24.602 1.00 38.37 ATOM 911 HB2 LEU 58 -1.201 -28.617 25.838 1.00 63.20 ATOM 912 CG LEU 58 -0.565 -26.956 24.641 1.00 21.22 ATOM 913 HG LEU 58 0.091 -26.527 25.387 1.00 42.43 ATOM 914 CD1 LEU 58 0.281 -27.852 23.741 1.00 63.31 ATOM 915 HD11 LEU 58 -0.329 -28.242 22.940 1.00 1.43 ATOM 916 HD12 LEU 58 0.680 -28.672 24.321 1.00 45.45 ATOM 917 HD13 LEU 58 1.097 -27.278 23.325 1.00 72.03 ATOM 918 CD2 LEU 58 -1.176 -25.810 23.838 1.00 41.23 ATOM 919 HD21 LEU 58 -1.725 -25.160 24.502 1.00 13.11 ATOM 920 HD22 LEU 58 -1.846 -26.207 23.089 1.00 4.01 ATOM 921 HD23 LEU 58 -0.390 -25.249 23.355 1.00 61.44 ATOM 922 C LEU 58 -3.479 -27.925 27.096 1.00 51.14 ATOM 923 O LEU 58 -4.696 -27.757 26.966 1.00 43.34 ATOM 924 N LEU 59 -2.959 -28.908 27.827 1.00 23.10 ATOM 925 HN LEU 59 -1.985 -29.005 27.858 1.00 38.37 ATOM 926 CA LEU 59 -3.785 -29.851 28.592 1.00 33.41 ATOM 927 HA LEU 59 -4.824 -29.596 28.435 1.00 33.35 ATOM 928 CB LEU 59 -3.540 -31.286 28.096 1.00 3.50 ATOM 929 HB1 LEU 59 -4.193 -31.949 28.647 1.00 38.37 ATOM 930 HB2 LEU 59 -2.516 -31.551 28.324 1.00 22.44 ATOM 931 CG LEU 59 -3.774 -31.523 26.591 1.00 62.52 ATOM 932 HG LEU 59 -3.140 -30.852 26.028 1.00 3.42 ATOM 933 CD1 LEU 59 -3.396 -32.951 26.207 1.00 0.40 ATOM 934 HD11 LEU 59 -4.014 -33.650 26.755 1.00 2.14 ATOM 935 HD12 LEU 59 -2.358 -33.126 26.447 1.00 74.40 ATOM 936 HD13 LEU 59 -3.547 -33.093 25.147 1.00 43.20 ATOM 937 CD2 LEU 59 -5.226 -31.231 26.211 1.00 65.41 ATOM 938 HD21 LEU 59 -5.885 -31.881 26.769 1.00 72.33 ATOM 939 HD22 LEU 59 -5.362 -31.403 25.153 1.00 1.13 ATOM 940 HD23 LEU 59 -5.458 -30.200 26.438 1.00 40.01 ATOM 941 C LEU 59 -3.467 -29.754 30.100 1.00 61.03 ATOM 942 O LEU 59 -2.599 -30.469 30.605 1.00 23.01 ATOM 943 N PRO 60 -4.156 -28.860 30.839 1.00 73.02 ATOM 944 CA PRO 60 -3.871 -28.627 32.270 1.00 4.11 ATOM 945 HA PRO 60 -2.830 -28.366 32.418 1.00 12.53 ATOM 946 CB PRO 60 -4.747 -27.413 32.613 1.00 23.31 ATOM 947 HB1 PRO 60 -4.161 -26.508 32.528 1.00 38.37 ATOM 948 HB2 PRO 60 -5.124 -27.506 33.623 1.00 15.44 ATOM 949 CG PRO 60 -5.852 -27.442 31.612 1.00 1.13 ATOM 950 HG1 PRO 60 -6.221 -26.440 31.442 1.00 38.37 ATOM 951 HG2 PRO 60 -6.651 -28.080 31.964 1.00 60.20 ATOM 952 CD PRO 60 -5.255 -28.002 30.349 1.00 52.34 ATOM 953 HD1 PRO 60 -4.872 -27.205 29.725 1.00 38.37 ATOM 954 HD2 PRO 60 -5.990 -28.583 29.810 1.00 21.01 ATOM 955 C PRO 60 -4.218 -29.827 33.173 1.00 44.12 ATOM 956 O PRO 60 -5.357 -30.306 33.193 1.00 54.31 ATOM 957 N GLY 61 -3.228 -30.303 33.929 1.00 60.52 ATOM 958 HN GLY 61 -2.336 -29.895 33.865 1.00 38.37 ATOM 959 CA GLY 61 -3.443 -31.422 34.842 1.00 23.52 ATOM 960 HA1 GLY 61 -4.485 -31.447 35.128 1.00 38.37 ATOM 961 HA2 GLY 61 -2.845 -31.262 35.728 1.00 72.51 ATOM 962 C GLY 61 -3.067 -32.773 34.240 1.00 43.45 ATOM 963 O GLY 61 -3.545 -33.818 34.687 1.00 73.22 ATOM 964 N THR 62 -2.210 -32.757 33.226 1.00 1.14 ATOM 965 HN THR 62 -1.858 -31.893 32.915 1.00 38.37 ATOM 966 CA THR 62 -1.769 -33.990 32.562 1.00 55.43 ATOM 967 HA THR 62 -2.521 -34.749 32.737 1.00 41.32 ATOM 968 CB THR 62 -1.634 -33.791 31.034 1.00 50.11 ATOM 969 HB THR 62 -0.846 -33.072 30.847 1.00 35.53 ATOM 970 OG1 THR 62 -2.865 -33.283 30.498 1.00 34.03 ATOM 971 HG1 THR 62 -2.817 -32.319 30.460 1.00 32.34 ATOM 972 CG2 THR 62 -1.283 -35.098 30.331 1.00 23.30 ATOM 973 HG21 THR 62 -1.206 -34.925 29.267 1.00 23.15 ATOM 974 HG22 THR 62 -2.054 -35.830 30.521 1.00 33.53 ATOM 975 HG23 THR 62 -0.338 -35.467 30.704 1.00 33.41 ATOM 976 C THR 62 -0.433 -34.482 33.137 1.00 54.43 ATOM 977 O THR 62 -0.202 -35.688 33.256 1.00 51.40 ATOM 978 N ILE 63 0.440 -33.545 33.504 1.00 13.24 ATOM 979 HN ILE 63 0.222 -32.599 33.343 1.00 38.37 ATOM 980 CA ILE 63 1.715 -33.883 34.148 1.00 42.25 ATOM 981 HA ILE 63 2.179 -34.674 33.571 1.00 40.24 ATOM 982 CB ILE 63 2.680 -32.667 34.171 1.00 5.40 ATOM 983 HB ILE 63 2.177 -31.851 34.671 1.00 64.31 ATOM 984 CG1 ILE 63 3.035 -32.229 32.740 1.00 55.50 ATOM 985 HG11 ILE 63 3.637 -31.332 32.786 1.00 38.37 ATOM 986 HG12 ILE 63 2.125 -32.016 32.198 1.00 24.31 ATOM 987 CG2 ILE 63 3.949 -32.990 34.962 1.00 41.40 ATOM 988 HG21 ILE 63 4.610 -32.134 34.948 1.00 73.21 ATOM 989 HG22 ILE 63 4.450 -33.837 34.514 1.00 34.25 ATOM 990 HG23 ILE 63 3.689 -33.225 35.984 1.00 62.55 ATOM 991 CD1 ILE 63 3.807 -33.269 31.952 1.00 75.33 ATOM 992 HD11 ILE 63 3.214 -34.167 31.859 1.00 14.53 ATOM 993 HD12 ILE 63 4.730 -33.499 32.463 1.00 13.53 ATOM 994 HD13 ILE 63 4.028 -32.882 30.969 1.00 75.44 ATOM 995 C ILE 63 1.485 -34.384 35.584 1.00 42.11 ATOM 996 O ILE 63 1.204 -33.602 36.494 1.00 61.30 ATOM 997 N GLU 64 1.604 -35.697 35.775 1.00 12.35 ATOM 998 HN GLU 64 1.878 -36.260 35.023 1.00 38.37 ATOM 999 CA GLU 64 1.331 -36.324 37.074 1.00 21.13 ATOM 1000 HA GLU 64 0.315 -36.072 37.349 1.00 42.42 ATOM 1001 CB GLU 64 1.436 -37.848 36.944 1.00 31.34 ATOM 1002 HB1 GLU 64 2.440 -38.100 36.631 1.00 38.37 ATOM 1003 HB2 GLU 64 0.742 -38.177 36.184 1.00 44.04 ATOM 1004 CG GLU 64 1.131 -38.611 38.228 1.00 24.34 ATOM 1005 HG1 GLU 64 0.254 -38.181 38.691 1.00 38.37 ATOM 1006 HG2 GLU 64 1.973 -38.513 38.900 1.00 64.24 ATOM 1007 CD GLU 64 0.879 -40.089 37.975 1.00 44.02 ATOM 1008 OE1 GLU 64 1.858 -40.855 37.847 1.00 2.31 ATOM 1009 OE2 GLU 64 -0.304 -40.487 37.891 1.00 44.11 ATOM 1010 C GLU 64 2.275 -35.809 38.173 1.00 40.40 ATOM 1011 O GLU 64 1.824 -35.327 39.215 1.00 13.30 ATOM 1012 N LYS 65 3.583 -35.902 37.936 1.00 52.11 ATOM 1013 HN LYS 65 3.888 -36.300 37.093 1.00 38.37 ATOM 1014 CA LYS 65 4.576 -35.424 38.906 1.00 0.11 ATOM 1015 HA LYS 65 4.127 -34.607 39.456 1.00 64.02 ATOM 1016 CB LYS 65 4.939 -36.541 39.899 1.00 35.15 ATOM 1017 HB1 LYS 65 5.306 -37.394 39.345 1.00 38.37 ATOM 1018 HB2 LYS 65 4.046 -36.833 40.435 1.00 55.34 ATOM 1019 CG LYS 65 6.003 -36.144 40.926 1.00 0.41 ATOM 1020 HG1 LYS 65 6.925 -35.919 40.405 1.00 38.37 ATOM 1021 HG2 LYS 65 6.168 -36.976 41.598 1.00 74.41 ATOM 1022 CD LYS 65 5.588 -34.925 41.749 1.00 55.24 ATOM 1023 HD1 LYS 65 4.672 -35.153 42.277 1.00 38.37 ATOM 1024 HD2 LYS 65 5.421 -34.091 41.082 1.00 2.12 ATOM 1025 CE LYS 65 6.660 -34.538 42.760 1.00 45.14 ATOM 1026 HE1 LYS 65 7.589 -34.370 42.235 1.00 38.37 ATOM 1027 HE2 LYS 65 6.785 -35.347 43.464 1.00 71.44 ATOM 1028 NZ LYS 65 6.297 -33.306 43.504 1.00 75.13 ATOM 1029 HZ1 LYS 65 6.212 -32.504 42.848 1.00 43.54 ATOM 1030 HZ2 LYS 65 7.030 -33.084 44.208 1.00 71.04 ATOM 1031 HZ3 LYS 65 5.390 -33.435 43.995 1.00 42.51 ATOM 1032 C LYS 65 5.842 -34.898 38.209 1.00 61.35 ATOM 1033 O LYS 65 6.653 -35.672 37.702 1.00 35.31 ATOM 1034 N VAL 66 5.991 -33.574 38.180 1.00 33.41 ATOM 1035 HN VAL 66 5.269 -33.008 38.525 1.00 38.37 ATOM 1036 CA VAL 66 7.197 -32.938 37.640 1.00 55.04 ATOM 1037 HA VAL 66 7.703 -33.655 37.005 1.00 15.33 ATOM 1038 CB VAL 66 6.849 -31.693 36.782 1.00 64.22 ATOM 1039 HB VAL 66 6.182 -32.008 35.992 1.00 1.31 ATOM 1040 CG1 VAL 66 6.124 -30.637 37.616 1.00 14.32 ATOM 1041 HG11 VAL 66 5.227 -31.064 38.041 1.00 12.34 ATOM 1042 HG12 VAL 66 5.859 -29.799 36.986 1.00 53.35 ATOM 1043 HG13 VAL 66 6.773 -30.295 38.412 1.00 43.25 ATOM 1044 CG2 VAL 66 8.106 -31.103 36.137 1.00 62.35 ATOM 1045 HG21 VAL 66 7.834 -30.260 35.518 1.00 54.41 ATOM 1046 HG22 VAL 66 8.588 -31.854 35.528 1.00 31.43 ATOM 1047 HG23 VAL 66 8.789 -30.775 36.909 1.00 3.21 ATOM 1048 C VAL 66 8.147 -32.511 38.766 1.00 44.53 ATOM 1049 O VAL 66 7.709 -32.141 39.859 1.00 70.31 ATOM 1050 N TYR 67 9.445 -32.582 38.502 1.00 41.22 ATOM 1051 HN TYR 67 9.735 -32.977 37.654 1.00 38.37 ATOM 1052 CA TYR 67 10.457 -32.096 39.439 1.00 62.53 ATOM 1053 HA TYR 67 9.976 -31.904 40.389 1.00 3.22 ATOM 1054 CB TYR 67 11.551 -33.155 39.637 1.00 4.12 ATOM 1055 HB1 TYR 67 12.215 -32.836 40.429 1.00 38.37 ATOM 1056 HB2 TYR 67 12.117 -33.255 38.721 1.00 55.24 ATOM 1057 CG TYR 67 11.013 -34.525 40.005 1.00 45.10 ATOM 1058 CD1 TYR 67 11.039 -35.575 39.091 1.00 62.34 ATOM 1059 HD1 TYR 67 11.454 -35.404 38.108 1.00 31.52 ATOM 1060 CD2 TYR 67 10.473 -34.767 41.264 1.00 42.04 ATOM 1061 HD2 TYR 67 10.439 -33.962 41.986 1.00 32.31 ATOM 1062 CE1 TYR 67 10.546 -36.822 39.421 1.00 72.53 ATOM 1063 HE1 TYR 67 10.577 -37.622 38.697 1.00 32.35 ATOM 1064 CE2 TYR 67 9.979 -36.014 41.601 1.00 3.20 ATOM 1065 HE2 TYR 67 9.565 -36.181 42.585 1.00 0.43 ATOM 1066 CZ TYR 67 10.016 -37.037 40.677 1.00 4.41 ATOM 1067 OH TYR 67 9.523 -38.281 41.011 1.00 20.21 ATOM 1068 HH TYR 67 10.148 -38.957 40.716 1.00 2.14 ATOM 1069 C TYR 67 11.072 -30.787 38.918 1.00 23.44 ATOM 1070 O TYR 67 11.996 -30.811 38.100 1.00 52.01 ATOM 1071 N PRO 68 10.549 -29.620 39.362 1.00 25.23 ATOM 1072 CA PRO 68 11.054 -28.304 38.922 1.00 51.33 ATOM 1073 HA PRO 68 10.953 -28.186 37.852 1.00 41.11 ATOM 1074 CB PRO 68 10.131 -27.302 39.640 1.00 61.21 ATOM 1075 HB1 PRO 68 9.357 -26.971 38.961 1.00 38.37 ATOM 1076 HB2 PRO 68 10.704 -26.447 39.977 1.00 44.11 ATOM 1077 CG PRO 68 9.557 -28.064 40.788 1.00 1.14 ATOM 1078 HG1 PRO 68 8.588 -27.663 41.050 1.00 38.37 ATOM 1079 HG2 PRO 68 10.227 -28.013 41.636 1.00 42.11 ATOM 1080 CD PRO 68 9.425 -29.484 40.308 1.00 74.44 ATOM 1081 HD1 PRO 68 8.479 -29.629 39.805 1.00 38.37 ATOM 1082 HD2 PRO 68 9.527 -30.175 41.134 1.00 44.32 ATOM 1083 C PRO 68 12.521 -28.075 39.315 1.00 60.01 ATOM 1084 O PRO 68 13.205 -27.226 38.742 1.00 35.44 ATOM 1085 N GLU 69 12.995 -28.840 40.294 1.00 44.25 ATOM 1086 HN GLU 69 12.388 -29.466 40.738 1.00 38.37 ATOM 1087 CA GLU 69 14.394 -28.782 40.729 1.00 53.20 ATOM 1088 HA GLU 69 14.923 -28.120 40.054 1.00 12.31 ATOM 1089 CB GLU 69 14.475 -28.200 42.151 1.00 2.03 ATOM 1090 HB1 GLU 69 14.220 -27.150 42.111 1.00 38.37 ATOM 1091 HB2 GLU 69 15.489 -28.299 42.511 1.00 5.20 ATOM 1092 CG GLU 69 13.541 -28.880 43.153 1.00 60.33 ATOM 1093 HG1 GLU 69 13.836 -29.916 43.251 1.00 38.37 ATOM 1094 HG2 GLU 69 12.531 -28.833 42.770 1.00 42.25 ATOM 1095 CD GLU 69 13.568 -28.231 44.526 1.00 51.42 ATOM 1096 OE1 GLU 69 12.897 -27.193 44.710 1.00 65.31 ATOM 1097 OE2 GLU 69 14.260 -28.750 45.425 1.00 4.20 ATOM 1098 C GLU 69 15.053 -30.175 40.660 1.00 65.14 ATOM 1099 O GLU 69 15.243 -30.841 41.680 1.00 24.25 ATOM 1100 N PRO 70 15.395 -30.646 39.444 1.00 30.30 ATOM 1101 CA PRO 70 16.002 -31.971 39.255 1.00 3.42 ATOM 1102 HA PRO 70 15.480 -32.728 39.824 1.00 41.31 ATOM 1103 CB PRO 70 15.802 -32.227 37.756 1.00 23.25 ATOM 1104 HB1 PRO 70 14.858 -32.730 37.596 1.00 38.37 ATOM 1105 HB2 PRO 70 16.609 -32.840 37.377 1.00 43.24 ATOM 1106 CG PRO 70 15.806 -30.868 37.135 1.00 24.20 ATOM 1107 HG1 PRO 70 15.201 -30.870 36.239 1.00 38.37 ATOM 1108 HG2 PRO 70 16.820 -30.576 36.899 1.00 35.03 ATOM 1109 CD PRO 70 15.218 -29.930 38.161 1.00 54.20 ATOM 1110 HD1 PRO 70 14.170 -29.760 37.959 1.00 38.37 ATOM 1111 HD2 PRO 70 15.756 -28.993 38.167 1.00 33.00 ATOM 1112 C PRO 70 17.493 -31.995 39.629 1.00 22.33 ATOM 1113 O PRO 70 18.336 -31.440 38.921 1.00 71.31 ATOM 1114 N ARG 71 17.815 -32.629 40.756 1.00 61.11 ATOM 1115 HN ARG 71 17.107 -33.072 41.275 1.00 38.37 ATOM 1116 CA ARG 71 19.200 -32.685 41.242 1.00 21.21 ATOM 1117 HA ARG 71 19.704 -31.791 40.900 1.00 42.43 ATOM 1118 CB ARG 71 19.222 -32.706 42.776 1.00 60.43 ATOM 1119 HB1 ARG 71 20.250 -32.700 43.109 1.00 38.37 ATOM 1120 HB2 ARG 71 18.748 -33.614 43.121 1.00 1.44 ATOM 1121 CG ARG 71 18.506 -31.516 43.415 1.00 62.25 ATOM 1122 HG1 ARG 71 18.616 -31.578 44.489 1.00 38.37 ATOM 1123 HG2 ARG 71 17.457 -31.555 43.158 1.00 2.21 ATOM 1124 CD ARG 71 19.084 -30.190 42.935 1.00 51.21 ATOM 1125 HD1 ARG 71 19.062 -30.172 41.854 1.00 38.37 ATOM 1126 HD2 ARG 71 20.107 -30.115 43.274 1.00 55.55 ATOM 1127 NE ARG 71 18.336 -29.044 43.445 1.00 20.01 ATOM 1128 HE ARG 71 17.985 -29.100 44.358 1.00 70.42 ATOM 1129 CZ ARG 71 18.114 -27.953 42.764 1.00 41.44 ATOM 1130 NH1 ARG 71 18.541 -27.841 41.545 1.00 60.51 ATOM 1131 HH11 ARG 71 19.039 -28.590 41.122 1.00 40.15 ATOM 1132 HH12 ARG 71 18.371 -27.000 41.035 1.00 73.20 ATOM 1133 NH2 ARG 71 17.462 -26.974 43.301 1.00 53.12 ATOM 1134 HH21 ARG 71 17.132 -27.050 44.242 1.00 50.14 ATOM 1135 HH22 ARG 71 17.278 -26.147 42.770 1.00 52.00 ATOM 1136 C ARG 71 19.946 -33.904 40.679 1.00 53.33 ATOM 1137 O ARG 71 21.180 -33.939 40.654 1.00 64.30 ATOM 1138 N SER 72 19.193 -34.903 40.228 1.00 11.51 ATOM 1139 HN SER 72 18.217 -34.844 40.327 1.00 38.37 ATOM 1140 CA SER 72 19.776 -36.097 39.596 1.00 75.43 ATOM 1141 HA SER 72 20.848 -35.958 39.548 1.00 75.03 ATOM 1142 CB SER 72 19.479 -37.354 40.426 1.00 53.22 ATOM 1143 HB1 SER 72 19.896 -38.219 39.930 1.00 38.37 ATOM 1144 HB2 SER 72 18.410 -37.478 40.521 1.00 24.23 ATOM 1145 OG SER 72 20.041 -37.262 41.727 1.00 60.53 ATOM 1146 HG SER 72 19.379 -37.531 42.380 1.00 70.25 ATOM 1147 C SER 72 19.244 -36.288 38.171 1.00 43.11 ATOM 1148 O SER 72 18.100 -35.939 37.871 1.00 51.43 ATOM 1149 N GLU 73 20.081 -36.865 37.307 1.00 74.23 ATOM 1150 HN GLU 73 20.973 -37.128 37.620 1.00 38.37 ATOM 1151 CA GLU 73 19.731 -37.108 35.898 1.00 64.33 ATOM 1152 HA GLU 73 19.677 -36.147 35.406 1.00 34.11 ATOM 1153 CB GLU 73 20.841 -37.938 35.233 1.00 32.04 ATOM 1154 HB1 GLU 73 20.960 -38.863 35.780 1.00 38.37 ATOM 1155 HB2 GLU 73 21.767 -37.382 35.284 1.00 51.31 ATOM 1156 CG GLU 73 20.575 -38.279 33.772 1.00 2.11 ATOM 1157 HG1 GLU 73 20.281 -37.378 33.253 1.00 38.37 ATOM 1158 HG2 GLU 73 19.767 -38.996 33.724 1.00 21.14 ATOM 1159 CD GLU 73 21.793 -38.868 33.076 1.00 54.11 ATOM 1160 OE1 GLU 73 22.698 -38.096 32.697 1.00 42.34 ATOM 1161 OE2 GLU 73 21.850 -40.103 32.904 1.00 71.20 ATOM 1162 C GLU 73 18.368 -37.812 35.748 1.00 73.50 ATOM 1163 O GLU 73 17.561 -37.450 34.887 1.00 21.23 ATOM 1164 N SER 74 18.116 -38.805 36.602 1.00 23.32 ATOM 1165 HN SER 74 18.805 -39.051 37.253 1.00 38.37 ATOM 1166 CA SER 74 16.849 -39.561 36.585 1.00 63.22 ATOM 1167 HA SER 74 16.806 -40.106 35.652 1.00 72.54 ATOM 1168 CB SER 74 16.818 -40.566 37.745 1.00 22.44 ATOM 1169 HB1 SER 74 15.957 -41.211 37.638 1.00 38.37 ATOM 1170 HB2 SER 74 16.752 -40.034 38.683 1.00 3.32 ATOM 1171 OG SER 74 17.988 -41.369 37.763 1.00 61.24 ATOM 1172 HG SER 74 17.833 -42.151 38.313 1.00 70.04 ATOM 1173 C SER 74 15.620 -38.639 36.679 1.00 41.33 ATOM 1174 O SER 74 14.618 -38.852 35.993 1.00 33.21 ATOM 1175 N GLU 75 15.704 -37.613 37.529 1.00 40.31 ATOM 1176 HN GLU 75 16.526 -37.491 38.046 1.00 38.37 ATOM 1177 CA GLU 75 14.603 -36.655 37.703 1.00 13.43 ATOM 1178 HA GLU 75 13.716 -37.215 37.962 1.00 2.24 ATOM 1179 CB GLU 75 14.921 -35.673 38.840 1.00 10.33 ATOM 1180 HB1 GLU 75 14.121 -34.949 38.909 1.00 38.37 ATOM 1181 HB2 GLU 75 15.840 -35.154 38.607 1.00 33.11 ATOM 1182 CG GLU 75 15.080 -36.338 40.202 1.00 2.31 ATOM 1183 HG1 GLU 75 15.856 -37.089 40.136 1.00 38.37 ATOM 1184 HG2 GLU 75 14.146 -36.813 40.466 1.00 54.22 ATOM 1185 CD GLU 75 15.449 -35.348 41.295 1.00 61.44 ATOM 1186 OE1 GLU 75 14.537 -34.737 41.886 1.00 75.33 ATOM 1187 OE2 GLU 75 16.657 -35.175 41.565 1.00 63.34 ATOM 1188 C GLU 75 14.330 -35.883 36.404 1.00 15.30 ATOM 1189 O GLU 75 13.184 -35.774 35.964 1.00 13.13 ATOM 1190 N CYS 76 15.394 -35.364 35.791 1.00 11.44 ATOM 1191 HN CYS 76 16.275 -35.450 36.213 1.00 38.37 ATOM 1192 CA CYS 76 15.285 -34.660 34.507 1.00 33.41 ATOM 1193 HA CYS 76 14.701 -33.765 34.665 1.00 32.13 ATOM 1194 CB CYS 76 16.676 -34.270 33.997 1.00 22.50 ATOM 1195 HB1 CYS 76 16.568 -33.676 33.101 1.00 38.37 ATOM 1196 HB2 CYS 76 17.232 -35.166 33.763 1.00 61.40 ATOM 1197 SG CYS 76 17.666 -33.313 35.172 1.00 32.02 ATOM 1198 HG CYS 76 18.944 -33.428 34.822 1.00 14.32 ATOM 1199 C CYS 76 14.587 -35.540 33.460 1.00 35.33 ATOM 1200 O CYS 76 13.647 -35.107 32.789 1.00 11.41 ATOM 1201 N LEU 77 15.049 -36.786 33.345 1.00 11.35 ATOM 1202 HN LEU 77 15.812 -37.060 33.898 1.00 38.37 ATOM 1203 CA LEU 77 14.459 -37.760 32.417 1.00 55.24 ATOM 1204 HA LEU 77 14.507 -37.338 31.424 1.00 45.44 ATOM 1205 CB LEU 77 15.273 -39.062 32.442 1.00 73.54 ATOM 1206 HB1 LEU 77 14.795 -39.777 31.787 1.00 38.37 ATOM 1207 HB2 LEU 77 15.249 -39.454 33.451 1.00 61.13 ATOM 1208 CG LEU 77 16.745 -38.923 32.012 1.00 30.52 ATOM 1209 HG LEU 77 17.222 -38.178 32.636 1.00 31.13 ATOM 1210 CD1 LEU 77 17.495 -40.237 32.205 1.00 33.05 ATOM 1211 HD11 LEU 77 17.055 -41.002 31.583 1.00 34.44 ATOM 1212 HD12 LEU 77 17.434 -40.536 33.242 1.00 21.24 ATOM 1213 HD13 LEU 77 18.532 -40.102 31.932 1.00 3.21 ATOM 1214 CD2 LEU 77 16.844 -38.453 30.562 1.00 63.33 ATOM 1215 HD21 LEU 77 17.884 -38.335 30.292 1.00 12.25 ATOM 1216 HD22 LEU 77 16.338 -37.505 30.454 1.00 22.40 ATOM 1217 HD23 LEU 77 16.384 -39.182 29.910 1.00 22.14 ATOM 1218 C LEU 77 12.987 -38.049 32.759 1.00 11.12 ATOM 1219 O LEU 77 12.159 -38.243 31.869 1.00 15.24 ATOM 1220 N SER 78 12.668 -38.072 34.053 1.00 55.31 ATOM 1221 HN SER 78 13.376 -37.944 34.719 1.00 38.37 ATOM 1222 CA SER 78 11.285 -38.292 34.507 1.00 23.23 ATOM 1223 HA SER 78 10.938 -39.214 34.062 1.00 51.02 ATOM 1224 CB SER 78 11.222 -38.430 36.035 1.00 1.33 ATOM 1225 HB1 SER 78 11.607 -37.530 36.493 1.00 38.37 ATOM 1226 HB2 SER 78 11.823 -39.273 36.342 1.00 3.52 ATOM 1227 OG SER 78 9.885 -38.637 36.482 1.00 12.51 ATOM 1228 HG SER 78 9.433 -37.783 36.546 1.00 23.43 ATOM 1229 C SER 78 10.359 -37.156 34.057 1.00 1.35 ATOM 1230 O SER 78 9.215 -37.395 33.665 1.00 20.44 ATOM 1231 N ASN 79 10.853 -35.919 34.115 1.00 35.40 ATOM 1232 HN ASN 79 11.752 -35.779 34.488 1.00 38.37 ATOM 1233 CA ASN 79 10.081 -34.757 33.651 1.00 30.12 ATOM 1234 HA ASN 79 9.170 -34.714 34.231 1.00 31.33 ATOM 1235 CB ASN 79 10.872 -33.463 33.867 1.00 4.25 ATOM 1236 HB1 ASN 79 10.278 -32.625 33.530 1.00 38.37 ATOM 1237 HB2 ASN 79 11.783 -33.506 33.290 1.00 73.43 ATOM 1238 CG ASN 79 11.239 -33.237 35.321 1.00 54.31 ATOM 1239 OD1 ASN 79 10.568 -33.715 36.226 1.00 3.02 ATOM 1240 ND2 ASN 79 12.300 -32.492 35.559 1.00 71.13 ATOM 1241 HD21 ASN 79 12.792 -32.130 34.794 1.00 31.10 ATOM 1242 HD22 ASN 79 12.544 -32.326 36.492 1.00 34.33 ATOM 1243 C ASN 79 9.714 -34.897 32.164 1.00 52.43 ATOM 1244 O ASN 79 8.558 -34.709 31.772 1.00 21.03 ATOM 1245 N ILE 80 10.712 -35.227 31.343 1.00 43.44 ATOM 1246 HN ILE 80 11.621 -35.298 31.707 1.00 38.37 ATOM 1247 CA ILE 80 10.493 -35.480 29.914 1.00 12.32 ATOM 1248 HA ILE 80 10.038 -34.596 29.483 1.00 32.51 ATOM 1249 CB ILE 80 11.835 -35.750 29.182 1.00 63.52 ATOM 1250 HB ILE 80 12.256 -36.665 29.577 1.00 21.51 ATOM 1251 CG1 ILE 80 12.823 -34.596 29.428 1.00 33.12 ATOM 1252 HG11 ILE 80 12.963 -34.472 30.492 1.00 38.37 ATOM 1253 HG12 ILE 80 12.414 -33.685 29.017 1.00 14.12 ATOM 1254 CG2 ILE 80 11.600 -35.946 27.684 1.00 51.24 ATOM 1255 HG21 ILE 80 10.925 -36.776 27.528 1.00 74.43 ATOM 1256 HG22 ILE 80 12.540 -36.154 27.193 1.00 63.41 ATOM 1257 HG23 ILE 80 11.170 -35.048 27.265 1.00 54.15 ATOM 1258 CD1 ILE 80 14.188 -34.810 28.802 1.00 30.14 ATOM 1259 HD11 ILE 80 14.837 -33.988 29.068 1.00 44.30 ATOM 1260 HD12 ILE 80 14.091 -34.855 27.727 1.00 35.13 ATOM 1261 HD13 ILE 80 14.611 -35.735 29.166 1.00 35.44 ATOM 1262 C ILE 80 9.550 -36.680 29.710 1.00 64.24 ATOM 1263 O ILE 80 8.659 -36.651 28.861 1.00 20.04 ATOM 1264 N ARG 81 9.758 -37.727 30.511 1.00 5.33 ATOM 1265 HN ARG 81 10.508 -37.693 31.141 1.00 38.37 ATOM 1266 CA ARG 81 8.914 -38.929 30.486 1.00 2.23 ATOM 1267 HA ARG 81 9.055 -39.408 29.528 1.00 45.01 ATOM 1268 CB ARG 81 9.368 -39.899 31.591 1.00 73.45 ATOM 1269 HB1 ARG 81 9.629 -39.322 32.469 1.00 38.37 ATOM 1270 HB2 ARG 81 10.252 -40.420 31.250 1.00 53.42 ATOM 1271 CG ARG 81 8.331 -40.943 32.003 1.00 33.05 ATOM 1272 HG1 ARG 81 7.430 -40.432 32.316 1.00 38.37 ATOM 1273 HG2 ARG 81 8.724 -41.508 32.834 1.00 5.42 ATOM 1274 CD ARG 81 7.978 -41.917 30.884 1.00 43.51 ATOM 1275 HD1 ARG 81 8.867 -42.458 30.595 1.00 38.37 ATOM 1276 HD2 ARG 81 7.601 -41.359 30.037 1.00 73.04 ATOM 1277 NE ARG 81 6.959 -42.868 31.323 1.00 45.24 ATOM 1278 HE ARG 81 6.488 -42.666 32.157 1.00 41.11 ATOM 1279 CZ ARG 81 6.645 -43.965 30.695 1.00 72.22 ATOM 1280 NH1 ARG 81 7.211 -44.274 29.575 1.00 31.42 ATOM 1281 HH11 ARG 81 7.895 -43.668 29.176 1.00 63.03 ATOM 1282 HH12 ARG 81 6.966 -45.124 29.114 1.00 22.13 ATOM 1283 NH2 ARG 81 5.747 -44.747 31.193 1.00 72.01 ATOM 1284 HH21 ARG 81 5.303 -44.510 32.055 1.00 64.50 ATOM 1285 HH22 ARG 81 5.492 -45.585 30.713 1.00 10.13 ATOM 1286 C ARG 81 7.422 -38.590 30.647 1.00 14.14 ATOM 1287 O ARG 81 6.600 -39.012 29.835 1.00 15.23 ATOM 1288 N GLU 82 7.071 -37.837 31.689 1.00 12.23 ATOM 1289 HN GLU 82 7.763 -37.524 32.313 1.00 38.37 ATOM 1290 CA GLU 82 5.666 -37.469 31.924 1.00 64.00 ATOM 1291 HA GLU 82 5.106 -38.388 32.029 1.00 10.22 ATOM 1292 CB GLU 82 5.520 -36.658 33.218 1.00 54.10 ATOM 1293 HB1 GLU 82 4.489 -36.346 33.319 1.00 38.37 ATOM 1294 HB2 GLU 82 6.145 -35.777 33.149 1.00 12.24 ATOM 1295 CG GLU 82 5.912 -37.425 34.478 1.00 70.10 ATOM 1296 HG1 GLU 82 5.648 -36.830 35.339 1.00 38.37 ATOM 1297 HG2 GLU 82 6.981 -37.582 34.470 1.00 50.01 ATOM 1298 CD GLU 82 5.216 -38.775 34.591 1.00 3.24 ATOM 1299 OE1 GLU 82 5.914 -39.814 34.585 1.00 51.11 ATOM 1300 OE2 GLU 82 3.966 -38.806 34.675 1.00 13.12 ATOM 1301 C GLU 82 5.083 -36.683 30.741 1.00 11.00 ATOM 1302 O GLU 82 3.905 -36.831 30.404 1.00 14.15 ATOM 1303 N PHE 83 5.914 -35.852 30.114 1.00 44.21 ATOM 1304 HN PHE 83 6.818 -35.724 30.474 1.00 38.37 ATOM 1305 CA PHE 83 5.517 -35.120 28.906 1.00 65.24 ATOM 1306 HA PHE 83 4.632 -34.543 29.144 1.00 62.51 ATOM 1307 CB PHE 83 6.640 -34.159 28.482 1.00 32.24 ATOM 1308 HB1 PHE 83 7.554 -34.722 28.353 1.00 38.37 ATOM 1309 HB2 PHE 83 6.787 -33.428 29.265 1.00 42.31 ATOM 1310 CG PHE 83 6.365 -33.411 27.200 1.00 72.04 ATOM 1311 CD1 PHE 83 6.979 -33.789 26.012 1.00 1.33 ATOM 1312 HD1 PHE 83 7.659 -34.628 26.009 1.00 32.31 ATOM 1313 CD2 PHE 83 5.494 -32.330 27.183 1.00 44.44 ATOM 1314 HD2 PHE 83 5.010 -32.024 28.100 1.00 5.21 ATOM 1315 CE1 PHE 83 6.729 -33.103 24.838 1.00 13.24 ATOM 1316 HE1 PHE 83 7.213 -33.407 23.922 1.00 34.32 ATOM 1317 CE2 PHE 83 5.243 -31.643 26.011 1.00 42.22 ATOM 1318 HE2 PHE 83 4.563 -30.803 26.011 1.00 54.13 ATOM 1319 CZ PHE 83 5.861 -32.030 24.838 1.00 5.34 ATOM 1320 HZ PHE 83 5.665 -31.495 23.921 1.00 74.41 ATOM 1321 C PHE 83 5.182 -36.095 27.762 1.00 74.21 ATOM 1322 O PHE 83 4.153 -35.961 27.094 1.00 14.34 ATOM 1323 N LEU 84 6.057 -37.077 27.555 1.00 25.10 ATOM 1324 HN LEU 84 6.871 -37.108 28.104 1.00 38.37 ATOM 1325 CA LEU 84 5.849 -38.114 26.535 1.00 3.15 ATOM 1326 HA LEU 84 5.746 -37.625 25.576 1.00 34.21 ATOM 1327 CB LEU 84 7.064 -39.052 26.493 1.00 72.01 ATOM 1328 HB1 LEU 84 6.886 -39.807 25.739 1.00 38.37 ATOM 1329 HB2 LEU 84 7.144 -39.542 27.454 1.00 71.22 ATOM 1330 CG LEU 84 8.407 -38.375 26.185 1.00 74.04 ATOM 1331 HG LEU 84 8.562 -37.566 26.885 1.00 72.43 ATOM 1332 CD1 LEU 84 9.560 -39.361 26.355 1.00 63.41 ATOM 1333 HD11 LEU 84 9.442 -40.182 25.660 1.00 60.12 ATOM 1334 HD12 LEU 84 9.558 -39.744 27.365 1.00 33.34 ATOM 1335 HD13 LEU 84 10.496 -38.858 26.163 1.00 32.42 ATOM 1336 CD2 LEU 84 8.401 -37.783 24.778 1.00 22.02 ATOM 1337 HD21 LEU 84 8.256 -38.571 24.052 1.00 65.44 ATOM 1338 HD22 LEU 84 9.344 -37.291 24.590 1.00 14.24 ATOM 1339 HD23 LEU 84 7.600 -37.063 24.694 1.00 24.24 ATOM 1340 C LEU 84 4.581 -38.931 26.822 1.00 23.44 ATOM 1341 O LEU 84 3.739 -39.130 25.945 1.00 24.24 ATOM 1342 N ARG 85 4.457 -39.385 28.066 1.00 35.02 ATOM 1343 HN ARG 85 5.152 -39.159 28.718 1.00 38.37 ATOM 1344 CA ARG 85 3.330 -40.216 28.496 1.00 74.25 ATOM 1345 HA ARG 85 3.306 -41.089 27.858 1.00 44.12 ATOM 1346 CB ARG 85 3.564 -40.670 29.951 1.00 12.54 ATOM 1347 HB1 ARG 85 3.500 -39.803 30.596 1.00 38.37 ATOM 1348 HB2 ARG 85 4.561 -41.080 30.029 1.00 41.53 ATOM 1349 CG ARG 85 2.575 -41.722 30.464 1.00 52.05 ATOM 1350 HG1 ARG 85 3.076 -42.346 31.192 1.00 38.37 ATOM 1351 HG2 ARG 85 2.252 -42.333 29.632 1.00 30.23 ATOM 1352 CD ARG 85 1.349 -41.089 31.115 1.00 3.11 ATOM 1353 HD1 ARG 85 0.688 -41.876 31.451 1.00 38.37 ATOM 1354 HD2 ARG 85 0.838 -40.480 30.382 1.00 21.44 ATOM 1355 NE ARG 85 1.716 -40.254 32.260 1.00 74.51 ATOM 1356 HE ARG 85 2.666 -40.170 32.472 1.00 5.45 ATOM 1357 CZ ARG 85 0.859 -39.629 33.019 1.00 55.11 ATOM 1358 NH1 ARG 85 -0.413 -39.702 32.785 1.00 60.22 ATOM 1359 HH11 ARG 85 -0.749 -40.236 32.017 1.00 1.32 ATOM 1360 HH12 ARG 85 -1.053 -39.228 33.388 1.00 11.14 ATOM 1361 NH2 ARG 85 1.273 -38.930 34.022 1.00 54.02 ATOM 1362 HH21 ARG 85 2.253 -38.865 34.219 1.00 51.11 ATOM 1363 HH22 ARG 85 0.610 -38.459 34.601 1.00 54.14 ATOM 1364 C ARG 85 1.992 -39.465 28.357 1.00 42.41 ATOM 1365 O ARG 85 1.003 -40.022 27.881 1.00 42.45 ATOM 1366 N GLY 86 1.971 -38.199 28.774 1.00 42.30 ATOM 1367 HN GLY 86 2.782 -37.812 29.167 1.00 38.37 ATOM 1368 CA GLY 86 0.763 -37.384 28.654 1.00 13.12 ATOM 1369 HA1 GLY 86 0.940 -36.429 29.128 1.00 38.37 ATOM 1370 HA2 GLY 86 -0.047 -37.882 29.169 1.00 73.04 ATOM 1371 C GLY 86 0.353 -37.144 27.202 1.00 60.02 ATOM 1372 O GLY 86 -0.781 -37.444 26.802 1.00 45.34 ATOM 1373 N CYS 87 1.281 -36.611 26.405 1.00 34.11 ATOM 1374 HN CYS 87 2.153 -36.362 26.788 1.00 38.37 ATOM 1375 CA CYS 87 1.042 -36.379 24.973 1.00 64.53 ATOM 1376 HA CYS 87 0.219 -35.685 24.885 1.00 13.30 ATOM 1377 CB CYS 87 2.283 -35.763 24.314 1.00 14.15 ATOM 1378 HB1 CYS 87 2.096 -35.635 23.259 1.00 38.37 ATOM 1379 HB2 CYS 87 3.122 -36.432 24.444 1.00 62.25 ATOM 1380 SG CYS 87 2.760 -34.152 24.988 1.00 10.15 ATOM 1381 HG CYS 87 4.078 -34.146 25.115 1.00 10.11 ATOM 1382 C CYS 87 0.666 -37.681 24.254 1.00 12.44 ATOM 1383 O CYS 87 -0.208 -37.695 23.386 1.00 40.11 ATOM 1384 N GLY 88 1.325 -38.772 24.630 1.00 2.32 ATOM 1385 HN GLY 88 2.019 -38.696 25.320 1.00 38.37 ATOM 1386 CA GLY 88 1.045 -40.074 24.033 1.00 73.31 ATOM 1387 HA1 GLY 88 1.857 -40.743 24.276 1.00 38.37 ATOM 1388 HA2 GLY 88 1.000 -39.960 22.959 1.00 22.44 ATOM 1389 C GLY 88 -0.265 -40.700 24.514 1.00 65.42 ATOM 1390 O GLY 88 -0.785 -41.622 23.885 1.00 11.15 ATOM 1391 N ALA 89 -0.795 -40.209 25.633 1.00 24.31 ATOM 1392 HN ALA 89 -0.312 -39.506 26.118 1.00 38.37 ATOM 1393 CA ALA 89 -2.066 -40.706 26.176 1.00 40.32 ATOM 1394 HA ALA 89 -2.085 -41.781 26.046 1.00 34.34 ATOM 1395 CB ALA 89 -2.145 -40.413 27.672 1.00 75.03 ATOM 1396 HB1 ALA 89 -1.295 -40.856 28.171 1.00 20.22 ATOM 1397 HB2 ALA 89 -3.056 -40.830 28.075 1.00 4.20 ATOM 1398 HB3 ALA 89 -2.137 -39.344 27.833 1.00 55.43 ATOM 1399 C ALA 89 -3.275 -40.100 25.444 1.00 2.43 ATOM 1400 O ALA 89 -4.129 -40.823 24.925 1.00 41.00 ATOM 1401 N SER 90 -3.339 -38.770 25.402 1.00 74.34 ATOM 1402 HN SER 90 -2.616 -38.245 25.818 1.00 38.37 ATOM 1403 CA SER 90 -4.465 -38.066 24.759 1.00 61.02 ATOM 1404 HA SER 90 -5.349 -38.678 24.880 1.00 71.23 ATOM 1405 CB SER 90 -4.712 -36.711 25.441 1.00 31.15 ATOM 1406 HB1 SER 90 -3.823 -36.100 25.355 1.00 38.37 ATOM 1407 HB2 SER 90 -4.935 -36.872 26.485 1.00 61.14 ATOM 1408 OG SER 90 -5.802 -36.016 24.848 1.00 12.03 ATOM 1409 HG SER 90 -6.559 -36.615 24.769 1.00 65.42 ATOM 1410 C SER 90 -4.222 -37.853 23.256 1.00 74.03 ATOM 1411 O SER 90 -4.949 -38.383 22.411 1.00 74.53 ATOM 1412 N LEU 91 -3.189 -37.080 22.927 1.00 50.35 ATOM 1413 HN LEU 91 -2.618 -36.721 23.638 1.00 38.37 ATOM 1414 CA LEU 91 -2.878 -36.755 21.528 1.00 12.32 ATOM 1415 HA LEU 91 -3.797 -36.434 21.058 1.00 55.03 ATOM 1416 CB LEU 91 -1.874 -35.599 21.474 1.00 14.24 ATOM 1417 HB1 LEU 91 -1.562 -35.464 20.448 1.00 38.37 ATOM 1418 HB2 LEU 91 -1.009 -35.875 22.062 1.00 41.54 ATOM 1419 CG LEU 91 -2.408 -34.255 21.994 1.00 2.41 ATOM 1420 HG LEU 91 -2.814 -34.396 22.987 1.00 73.53 ATOM 1421 CD1 LEU 91 -1.286 -33.229 22.090 1.00 33.51 ATOM 1422 HD11 LEU 91 -0.820 -33.106 21.121 1.00 73.42 ATOM 1423 HD12 LEU 91 -0.548 -33.567 22.803 1.00 21.41 ATOM 1424 HD13 LEU 91 -1.689 -32.281 22.415 1.00 14.01 ATOM 1425 CD2 LEU 91 -3.532 -33.742 21.094 1.00 23.32 ATOM 1426 HD21 LEU 91 -3.154 -33.596 20.091 1.00 12.14 ATOM 1427 HD22 LEU 91 -3.903 -32.804 21.480 1.00 63.23 ATOM 1428 HD23 LEU 91 -4.335 -34.464 21.074 1.00 2.04 ATOM 1429 C LEU 91 -2.341 -37.972 20.757 1.00 33.35 ATOM 1430 O LEU 91 -2.513 -38.067 19.540 1.00 70.42 ATOM 1431 N ARG 92 -1.673 -38.884 21.470 1.00 21.10 ATOM 1432 HN ARG 92 -1.484 -38.695 22.413 1.00 38.37 ATOM 1433 CA ARG 92 -1.212 -40.162 20.899 1.00 23.13 ATOM 1434 HA ARG 92 -0.610 -40.650 21.650 1.00 15.32 ATOM 1435 CB ARG 92 -2.434 -41.050 20.598 1.00 21.54 ATOM 1436 HB1 ARG 92 -2.094 -41.999 20.208 1.00 38.37 ATOM 1437 HB2 ARG 92 -3.050 -40.561 19.855 1.00 34.10 ATOM 1438 CG ARG 92 -3.287 -41.316 21.837 1.00 64.21 ATOM 1439 HG1 ARG 92 -3.511 -40.370 22.313 1.00 38.37 ATOM 1440 HG2 ARG 92 -2.722 -41.932 22.522 1.00 64.14 ATOM 1441 CD ARG 92 -4.599 -42.026 21.515 1.00 44.15 ATOM 1442 HD1 ARG 92 -4.376 -42.992 21.084 1.00 38.37 ATOM 1443 HD2 ARG 92 -5.154 -41.431 20.803 1.00 64.34 ATOM 1444 NE ARG 92 -5.409 -42.213 22.718 1.00 2.22 ATOM 1445 HE ARG 92 -4.989 -42.003 23.577 1.00 4.44 ATOM 1446 CZ ARG 92 -6.638 -42.658 22.732 1.00 73.55 ATOM 1447 NH1 ARG 92 -7.267 -42.924 21.629 1.00 71.31 ATOM 1448 HH11 ARG 92 -6.813 -42.796 20.752 1.00 30.12 ATOM 1449 HH12 ARG 92 -8.205 -43.265 21.661 1.00 13.13 ATOM 1450 NH2 ARG 92 -7.244 -42.810 23.862 1.00 51.42 ATOM 1451 HH21 ARG 92 -6.770 -42.594 24.712 1.00 62.42 ATOM 1452 HH22 ARG 92 -8.176 -43.163 23.887 1.00 1.44 ATOM 1453 C ARG 92 -0.343 -39.962 19.643 1.00 51.21 ATOM 1454 O ARG 92 -0.275 -40.831 18.770 1.00 12.24 ATOM 1455 N LEU 93 0.342 -38.819 19.577 1.00 1.12 ATOM 1456 HN LEU 93 0.258 -38.180 20.307 1.00 38.37 ATOM 1457 CA LEU 93 1.215 -38.498 18.441 1.00 15.03 ATOM 1458 HA LEU 93 0.695 -38.785 17.538 1.00 61.13 ATOM 1459 CB LEU 93 1.518 -36.988 18.373 1.00 51.15 ATOM 1460 HB1 LEU 93 0.576 -36.456 18.397 1.00 38.37 ATOM 1461 HB2 LEU 93 1.993 -36.788 17.422 1.00 63.24 ATOM 1462 CG LEU 93 2.422 -36.419 19.494 1.00 32.13 ATOM 1463 HG LEU 93 3.154 -37.164 19.776 1.00 40.03 ATOM 1464 CD1 LEU 93 3.176 -35.185 19.005 1.00 21.14 ATOM 1465 HD11 LEU 93 3.798 -35.451 18.162 1.00 4.02 ATOM 1466 HD12 LEU 93 3.797 -34.802 19.800 1.00 51.45 ATOM 1467 HD13 LEU 93 2.469 -34.425 18.703 1.00 0.25 ATOM 1468 CD2 LEU 93 1.607 -36.066 20.734 1.00 71.41 ATOM 1469 HD21 LEU 93 2.244 -35.574 21.455 1.00 10.33 ATOM 1470 HD22 LEU 93 1.202 -36.966 21.170 1.00 1.04 ATOM 1471 HD23 LEU 93 0.799 -35.402 20.457 1.00 73.04 ATOM 1472 C LEU 93 2.539 -39.275 18.507 1.00 32.30 ATOM 1473 O LEU 93 2.813 -39.989 19.474 1.00 32.43 ATOM 1474 N GLU 94 3.357 -39.119 17.472 1.00 41.32 ATOM 1475 HN GLU 94 3.063 -38.567 16.716 1.00 38.37 ATOM 1476 CA GLU 94 4.677 -39.750 17.415 1.00 51.12 ATOM 1477 HA GLU 94 4.560 -40.791 17.685 1.00 33.10 ATOM 1478 CB GLU 94 5.219 -39.665 15.980 1.00 51.11 ATOM 1479 HB1 GLU 94 6.157 -40.201 15.923 1.00 38.37 ATOM 1480 HB2 GLU 94 5.389 -38.626 15.728 1.00 12.25 ATOM 1481 CG GLU 94 4.262 -40.260 14.948 1.00 30.42 ATOM 1482 HG1 GLU 94 3.307 -39.758 15.033 1.00 38.37 ATOM 1483 HG2 GLU 94 4.129 -41.310 15.170 1.00 33.02 ATOM 1484 CD GLU 94 4.757 -40.128 13.517 1.00 50.13 ATOM 1485 OE1 GLU 94 5.526 -41.003 13.068 1.00 42.12 ATOM 1486 OE2 GLU 94 4.362 -39.164 12.824 1.00 62.34 ATOM 1487 C GLU 94 5.643 -39.083 18.411 1.00 14.21 ATOM 1488 O GLU 94 6.147 -37.985 18.167 1.00 25.41 ATOM 1489 N THR 95 5.884 -39.746 19.544 1.00 32.24 ATOM 1490 HN THR 95 5.500 -40.639 19.659 1.00 38.37 ATOM 1491 CA THR 95 6.711 -39.182 20.622 1.00 4.21 ATOM 1492 HA THR 95 6.596 -38.107 20.598 1.00 53.13 ATOM 1493 CB THR 95 6.250 -39.683 22.014 1.00 13.50 ATOM 1494 HB THR 95 6.866 -39.213 22.771 1.00 1.10 ATOM 1495 OG1 THR 95 6.406 -41.110 22.109 1.00 34.51 ATOM 1496 HG1 THR 95 7.246 -41.316 22.543 1.00 33.14 ATOM 1497 CG2 THR 95 4.792 -39.310 22.275 1.00 23.53 ATOM 1498 HG21 THR 95 4.682 -38.235 22.249 1.00 61.02 ATOM 1499 HG22 THR 95 4.494 -39.677 23.246 1.00 35.44 ATOM 1500 HG23 THR 95 4.164 -39.754 21.516 1.00 62.32 ATOM 1501 C THR 95 8.198 -39.519 20.455 1.00 2.11 ATOM 1502 O THR 95 8.569 -40.398 19.676 1.00 20.33 ATOM 1503 N PHE 96 9.042 -38.818 21.209 1.00 52.54 ATOM 1504 HN PHE 96 8.678 -38.140 21.813 1.00 38.37 ATOM 1505 CA PHE 96 10.497 -39.028 21.175 1.00 62.24 ATOM 1506 HA PHE 96 10.719 -39.663 20.327 1.00 15.22 ATOM 1507 CB PHE 96 11.226 -37.685 20.988 1.00 44.00 ATOM 1508 HB1 PHE 96 10.916 -37.246 20.050 1.00 38.37 ATOM 1509 HB2 PHE 96 12.291 -37.866 20.952 1.00 65.50 ATOM 1510 CG PHE 96 10.966 -36.672 22.082 1.00 22.35 ATOM 1511 CD1 PHE 96 9.871 -35.823 22.013 1.00 54.35 ATOM 1512 HD1 PHE 96 9.194 -35.897 21.173 1.00 55.01 ATOM 1513 CD2 PHE 96 11.822 -36.561 23.169 1.00 62.11 ATOM 1514 HD2 PHE 96 12.680 -37.215 23.236 1.00 32.40 ATOM 1515 CE1 PHE 96 9.635 -34.888 23.003 1.00 53.30 ATOM 1516 HE1 PHE 96 8.778 -34.233 22.935 1.00 53.04 ATOM 1517 CE2 PHE 96 11.590 -35.629 24.162 1.00 10.34 ATOM 1518 HE2 PHE 96 12.265 -35.555 25.003 1.00 0.32 ATOM 1519 CZ PHE 96 10.496 -34.791 24.079 1.00 11.22 ATOM 1520 HZ PHE 96 10.313 -34.060 24.854 1.00 41.13 ATOM 1521 C PHE 96 10.994 -39.730 22.450 1.00 32.10 ATOM 1522 O PHE 96 10.204 -40.083 23.327 1.00 71.51 ATOM 1523 N ASP 97 12.303 -39.958 22.533 1.00 65.20 ATOM 1524 HN ASP 97 12.875 -39.730 21.772 1.00 38.37 ATOM 1525 CA ASP 97 12.916 -40.559 23.724 1.00 51.00 ATOM 1526 HA ASP 97 12.140 -41.065 24.283 1.00 3.45 ATOM 1527 CB ASP 97 13.973 -41.585 23.303 1.00 34.33 ATOM 1528 HB1 ASP 97 14.298 -42.141 24.174 1.00 38.37 ATOM 1529 HB2 ASP 97 14.822 -41.069 22.876 1.00 61.20 ATOM 1530 CG ASP 97 13.437 -42.566 22.276 1.00 43.32 ATOM 1531 OD1 ASP 97 13.452 -42.237 21.071 1.00 41.31 ATOM 1532 OD2 ASP 97 12.990 -43.663 22.669 1.00 12.21 ATOM 1533 C ASP 97 13.552 -39.481 24.624 1.00 50.44 ATOM 1534 O ASP 97 14.130 -38.508 24.134 1.00 32.44 ATOM 1535 N ALA 98 13.452 -39.671 25.939 1.00 15.14 ATOM 1536 HN ALA 98 13.022 -40.490 26.266 1.00 38.37 ATOM 1537 CA ALA 98 13.966 -38.698 26.916 1.00 53.11 ATOM 1538 HA ALA 98 13.470 -37.754 26.734 1.00 25.54 ATOM 1539 CB ALA 98 13.617 -39.148 28.332 1.00 52.31 ATOM 1540 HB1 ALA 98 13.939 -38.397 29.041 1.00 72.35 ATOM 1541 HB2 ALA 98 14.115 -40.083 28.548 1.00 35.44 ATOM 1542 HB3 ALA 98 12.548 -39.284 28.415 1.00 15.23 ATOM 1543 C ALA 98 15.484 -38.493 26.788 1.00 75.12 ATOM 1544 O ALA 98 15.979 -37.362 26.809 1.00 65.13 ATOM 1545 N ASN 99 16.213 -39.600 26.652 1.00 21.13 ATOM 1546 HN ASN 99 15.751 -40.465 26.611 1.00 38.37 ATOM 1547 CA ASN 99 17.680 -39.573 26.576 1.00 4.24 ATOM 1548 HA ASN 99 18.048 -39.176 27.512 1.00 45.22 ATOM 1549 CB ASN 99 18.222 -40.997 26.394 1.00 62.11 ATOM 1550 HB1 ASN 99 19.304 -40.965 26.391 1.00 38.37 ATOM 1551 HB2 ASN 99 17.878 -41.388 25.449 1.00 21.21 ATOM 1552 CG ASN 99 17.768 -41.945 27.491 1.00 32.32 ATOM 1553 OD1 ASN 99 16.679 -41.809 28.038 1.00 21.31 ATOM 1554 ND2 ASN 99 18.595 -42.915 27.821 1.00 54.33 ATOM 1555 HD21 ASN 99 19.450 -42.977 27.347 1.00 13.22 ATOM 1556 HD22 ASN 99 18.323 -43.528 28.536 1.00 61.02 ATOM 1557 C ASN 99 18.185 -38.677 25.431 1.00 33.04 ATOM 1558 O ASN 99 19.146 -37.926 25.597 1.00 42.21 ATOM 1559 N ASP 100 17.530 -38.758 24.275 1.00 73.02 ATOM 1560 HN ASP 100 16.764 -39.365 24.205 1.00 38.37 ATOM 1561 CA ASP 100 17.921 -37.969 23.102 1.00 64.34 ATOM 1562 HA ASP 100 18.934 -38.251 22.846 1.00 25.13 ATOM 1563 CB ASP 100 17.018 -38.307 21.919 1.00 41.25 ATOM 1564 HB1 ASP 100 17.179 -37.590 21.123 1.00 38.37 ATOM 1565 HB2 ASP 100 15.983 -38.267 22.231 1.00 62.53 ATOM 1566 CG ASP 100 17.317 -39.692 21.388 1.00 70.33 ATOM 1567 OD1 ASP 100 18.266 -39.825 20.596 1.00 2.32 ATOM 1568 OD2 ASP 100 16.625 -40.652 21.772 1.00 32.32 ATOM 1569 C ASP 100 17.901 -36.462 23.380 1.00 30.23 ATOM 1570 O ASP 100 18.828 -35.745 23.004 1.00 75.42 ATOM 1571 N LEU 101 16.856 -35.989 24.047 1.00 1.31 ATOM 1572 HN LEU 101 16.143 -36.606 24.323 1.00 38.37 ATOM 1573 CA LEU 101 16.743 -34.567 24.379 1.00 22.13 ATOM 1574 HA LEU 101 16.973 -34.001 23.485 1.00 72.11 ATOM 1575 CB LEU 101 15.310 -34.232 24.816 1.00 63.22 ATOM 1576 HB1 LEU 101 15.062 -34.850 25.667 1.00 38.37 ATOM 1577 HB2 LEU 101 14.640 -34.486 24.005 1.00 55.12 ATOM 1578 CG LEU 101 15.066 -32.763 25.205 1.00 60.50 ATOM 1579 HG LEU 101 15.717 -32.505 26.030 1.00 20.53 ATOM 1580 CD1 LEU 101 15.393 -31.826 24.042 1.00 65.05 ATOM 1581 HD11 LEU 101 14.777 -32.076 23.190 1.00 34.31 ATOM 1582 HD12 LEU 101 16.435 -31.931 23.776 1.00 73.14 ATOM 1583 HD13 LEU 101 15.202 -30.804 24.337 1.00 2.13 ATOM 1584 CD2 LEU 101 13.626 -32.567 25.667 1.00 21.34 ATOM 1585 HD21 LEU 101 13.475 -31.537 25.952 1.00 41.22 ATOM 1586 HD22 LEU 101 13.429 -33.205 26.516 1.00 21.13 ATOM 1587 HD23 LEU 101 12.949 -32.821 24.864 1.00 53.12 ATOM 1588 C LEU 101 17.738 -34.168 25.482 1.00 22.40 ATOM 1589 O LEU 101 18.510 -33.220 25.323 1.00 53.24 ATOM 1590 N TYR 102 17.734 -34.914 26.588 1.00 21.44 ATOM 1591 HN TYR 102 17.147 -35.700 26.632 1.00 38.37 ATOM 1592 CA TYR 102 18.576 -34.581 27.744 1.00 21.43 ATOM 1593 HA TYR 102 18.353 -33.560 28.023 1.00 73.14 ATOM 1594 CB TYR 102 18.244 -35.493 28.933 1.00 41.42 ATOM 1595 HB1 TYR 102 18.555 -36.503 28.703 1.00 38.37 ATOM 1596 HB2 TYR 102 17.178 -35.483 29.105 1.00 15.35 ATOM 1597 CG TYR 102 18.933 -35.066 30.215 1.00 55.02 ATOM 1598 CD1 TYR 102 18.585 -33.875 30.837 1.00 61.04 ATOM 1599 HD1 TYR 102 17.811 -33.262 30.400 1.00 0.44 ATOM 1600 CD2 TYR 102 19.930 -35.840 30.795 1.00 50.35 ATOM 1601 HD2 TYR 102 20.215 -36.772 30.325 1.00 72.40 ATOM 1602 CE1 TYR 102 19.206 -33.466 31.998 1.00 53.55 ATOM 1603 HE1 TYR 102 18.919 -32.536 32.461 1.00 41.45 ATOM 1604 CE2 TYR 102 20.554 -35.436 31.960 1.00 11.10 ATOM 1605 HE2 TYR 102 21.325 -36.053 32.397 1.00 53.34 ATOM 1606 CZ TYR 102 20.189 -34.248 32.557 1.00 2.05 ATOM 1607 OH TYR 102 20.804 -33.840 33.721 1.00 75.43 ATOM 1608 HH TYR 102 21.750 -34.030 33.663 1.00 21.34 ATOM 1609 C TYR 102 20.078 -34.678 27.420 1.00 35.42 ATOM 1610 O TYR 102 20.884 -33.886 27.913 1.00 1.30 ATOM 1611 N GLN 103 20.454 -35.658 26.604 1.00 70.42 ATOM 1612 HN GLN 103 19.772 -36.261 26.241 1.00 38.37 ATOM 1613 CA GLN 103 21.862 -35.865 26.238 1.00 53.23 ATOM 1614 HA GLN 103 22.471 -35.436 27.022 1.00 53.41 ATOM 1615 CB GLN 103 22.178 -37.368 26.146 1.00 33.34 ATOM 1616 HB1 GLN 103 23.210 -37.489 25.846 1.00 38.37 ATOM 1617 HB2 GLN 103 21.543 -37.812 25.392 1.00 33.31 ATOM 1618 CG GLN 103 21.970 -38.135 27.454 1.00 40.04 ATOM 1619 HG1 GLN 103 22.278 -39.162 27.308 1.00 38.37 ATOM 1620 HG2 GLN 103 20.920 -38.112 27.707 1.00 65.52 ATOM 1621 CD GLN 103 22.760 -37.554 28.619 1.00 52.42 ATOM 1622 OE1 GLN 103 23.811 -36.945 28.436 1.00 21.32 ATOM 1623 NE2 GLN 103 22.268 -37.748 29.826 1.00 35.25 ATOM 1624 HE21 GLN 103 21.432 -38.250 29.911 1.00 44.50 ATOM 1625 HE22 GLN 103 22.763 -37.384 30.592 1.00 21.11 ATOM 1626 C GLN 103 22.224 -35.170 24.914 1.00 21.32 ATOM 1627 O GLN 103 23.400 -35.061 24.561 1.00 74.01 ATOM 1628 N GLY 104 21.214 -34.693 24.187 1.00 21.33 ATOM 1629 HN GLY 104 20.297 -34.775 24.525 1.00 38.37 ATOM 1630 CA GLY 104 21.458 -34.042 22.902 1.00 65.24 ATOM 1631 HA1 GLY 104 22.226 -33.291 23.029 1.00 38.37 ATOM 1632 HA2 GLY 104 20.548 -33.555 22.584 1.00 73.15 ATOM 1633 C GLY 104 21.898 -35.019 21.811 1.00 52.12 ATOM 1634 O GLY 104 22.762 -34.703 20.991 1.00 61.23 ATOM 1635 N GLN 105 21.305 -36.212 21.806 1.00 13.24 ATOM 1636 HN GLN 105 20.625 -36.403 22.486 1.00 38.37 ATOM 1637 CA GLN 105 21.637 -37.245 20.815 1.00 54.32 ATOM 1638 HA GLN 105 22.707 -37.229 20.664 1.00 31.15 ATOM 1639 CB GLN 105 21.226 -38.635 21.332 1.00 20.45 ATOM 1640 HB1 GLN 105 21.605 -39.385 20.652 1.00 38.37 ATOM 1641 HB2 GLN 105 20.147 -38.692 21.350 1.00 34.02 ATOM 1642 CG GLN 105 21.743 -38.955 22.734 1.00 65.44 ATOM 1643 HG1 GLN 105 21.401 -38.186 23.412 1.00 38.37 ATOM 1644 HG2 GLN 105 22.824 -38.956 22.711 1.00 75.50 ATOM 1645 CD GLN 105 21.272 -40.309 23.258 1.00 32.31 ATOM 1646 OE1 GLN 105 21.948 -40.948 24.060 1.00 30.42 ATOM 1647 NE2 GLN 105 20.117 -40.767 22.812 1.00 35.34 ATOM 1648 HE21 GLN 105 19.615 -40.226 22.168 1.00 52.05 ATOM 1649 HE22 GLN 105 19.810 -41.638 23.138 1.00 15.14 ATOM 1650 C GLN 105 20.945 -36.956 19.470 1.00 43.52 ATOM 1651 O GLN 105 21.581 -36.514 18.510 1.00 2.04 ATOM 1652 N ASN 106 19.640 -37.214 19.409 1.00 52.23 ATOM 1653 HN ASN 106 19.200 -37.624 20.184 1.00 38.37 ATOM 1654 CA ASN 106 18.841 -36.923 18.214 1.00 72.41 ATOM 1655 HA ASN 106 19.495 -36.494 17.467 1.00 13.14 ATOM 1656 CB ASN 106 18.230 -38.214 17.662 1.00 12.31 ATOM 1657 HB1 ASN 106 17.599 -37.978 16.817 1.00 38.37 ATOM 1658 HB2 ASN 106 17.630 -38.674 18.437 1.00 3.42 ATOM 1659 CG ASN 106 19.281 -39.212 17.216 1.00 73.15 ATOM 1660 OD1 ASN 106 19.762 -39.165 16.092 1.00 10.30 ATOM 1661 ND2 ASN 106 19.632 -40.136 18.084 1.00 54.12 ATOM 1662 HD21 ASN 106 19.203 -40.131 18.966 1.00 4.20 ATOM 1663 HD22 ASN 106 20.302 -40.792 17.810 1.00 63.32 ATOM 1664 C ASN 106 17.722 -35.918 18.529 1.00 14.42 ATOM 1665 O ASN 106 16.677 -36.289 19.070 1.00 30.31 ATOM 1666 N PHE 107 17.940 -34.647 18.192 1.00 54.21 ATOM 1667 HN PHE 107 18.780 -34.405 17.750 1.00 38.37 ATOM 1668 CA PHE 107 16.947 -33.599 18.469 1.00 74.33 ATOM 1669 HA PHE 107 16.540 -33.788 19.454 1.00 42.25 ATOM 1670 CB PHE 107 17.608 -32.210 18.472 1.00 4.54 ATOM 1671 HB1 PHE 107 18.010 -32.006 17.489 1.00 38.37 ATOM 1672 HB2 PHE 107 18.415 -32.203 19.192 1.00 61.11 ATOM 1673 CG PHE 107 16.656 -31.094 18.831 1.00 33.01 ATOM 1674 CD1 PHE 107 16.232 -30.923 20.142 1.00 3.54 ATOM 1675 HD1 PHE 107 16.597 -31.592 20.908 1.00 75.24 ATOM 1676 CD2 PHE 107 16.179 -30.224 17.860 1.00 3.44 ATOM 1677 HD2 PHE 107 16.500 -30.344 16.835 1.00 71.30 ATOM 1678 CE1 PHE 107 15.352 -29.910 20.475 1.00 40.11 ATOM 1679 HE1 PHE 107 15.030 -29.790 21.499 1.00 40.42 ATOM 1680 CE2 PHE 107 15.302 -29.209 18.189 1.00 23.44 ATOM 1681 HE2 PHE 107 14.939 -28.538 17.423 1.00 1.43 ATOM 1682 CZ PHE 107 14.887 -29.052 19.498 1.00 11.42 ATOM 1683 HZ PHE 107 14.199 -28.260 19.755 1.00 13.22 ATOM 1684 C PHE 107 15.791 -33.634 17.454 1.00 60.10 ATOM 1685 O PHE 107 14.667 -33.246 17.771 1.00 72.10 ATOM 1686 N ASN 108 16.074 -34.110 16.241 1.00 11.12 ATOM 1687 HN ASN 108 16.989 -34.409 16.053 1.00 38.37 ATOM 1688 CA ASN 108 15.064 -34.191 15.176 1.00 13.22 ATOM 1689 HA ASN 108 14.812 -33.176 14.900 1.00 63.54 ATOM 1690 CB ASN 108 15.645 -34.898 13.939 1.00 50.11 ATOM 1691 HB1 ASN 108 16.333 -34.226 13.444 1.00 38.37 ATOM 1692 HB2 ASN 108 14.842 -35.142 13.258 1.00 65.03 ATOM 1693 CG ASN 108 16.393 -36.179 14.276 1.00 2.32 ATOM 1694 OD1 ASN 108 16.107 -36.848 15.262 1.00 44.14 ATOM 1695 ND2 ASN 108 17.362 -36.529 13.458 1.00 15.22 ATOM 1696 HD21 ASN 108 17.549 -35.954 12.687 1.00 20.53 ATOM 1697 HD22 ASN 108 17.856 -37.349 13.657 1.00 64.42 ATOM 1698 C ASN 108 13.772 -34.892 15.644 1.00 20.43 ATOM 1699 O ASN 108 12.665 -34.440 15.332 1.00 54.50 ATOM 1700 N LYS 109 13.915 -35.986 16.394 1.00 3.45 ATOM 1701 HN LYS 109 14.818 -36.325 16.571 1.00 38.37 ATOM 1702 CA LYS 109 12.758 -36.702 16.946 1.00 44.24 ATOM 1703 HA LYS 109 12.119 -36.985 16.119 1.00 1.40 ATOM 1704 CB LYS 109 13.212 -37.976 17.682 1.00 22.24 ATOM 1705 HB1 LYS 109 12.342 -38.475 18.086 1.00 38.37 ATOM 1706 HB2 LYS 109 13.862 -37.692 18.499 1.00 61.54 ATOM 1707 CG LYS 109 13.966 -38.972 16.798 1.00 40.33 ATOM 1708 HG1 LYS 109 14.919 -38.541 16.518 1.00 38.37 ATOM 1709 HG2 LYS 109 13.383 -39.159 15.906 1.00 41.34 ATOM 1710 CD LYS 109 14.217 -40.304 17.510 1.00 70.31 ATOM 1711 HD1 LYS 109 14.712 -40.978 16.824 1.00 38.37 ATOM 1712 HD2 LYS 109 13.268 -40.728 17.806 1.00 15.53 ATOM 1713 CE LYS 109 15.088 -40.138 18.751 1.00 32.02 ATOM 1714 HE1 LYS 109 14.571 -39.503 19.457 1.00 38.37 ATOM 1715 HE2 LYS 109 16.018 -39.670 18.464 1.00 34.31 ATOM 1716 NZ LYS 109 15.385 -41.442 19.402 1.00 55.04 ATOM 1717 HZ1 LYS 109 15.970 -41.295 20.250 1.00 0.14 ATOM 1718 HZ2 LYS 109 15.900 -42.063 18.749 1.00 61.00 ATOM 1719 HZ3 LYS 109 14.502 -41.915 19.685 1.00 65.23 ATOM 1720 C LYS 109 11.958 -35.799 17.901 1.00 73.15 ATOM 1721 O LYS 109 10.723 -35.810 17.904 1.00 43.33 ATOM 1722 N VAL 110 12.675 -35.013 18.701 1.00 3.41 ATOM 1723 HN VAL 110 13.651 -35.056 18.654 1.00 38.37 ATOM 1724 CA VAL 110 12.050 -34.074 19.638 1.00 2.13 ATOM 1725 HA VAL 110 11.354 -34.627 20.254 1.00 54.13 ATOM 1726 CB VAL 110 13.105 -33.410 20.563 1.00 31.32 ATOM 1727 HB VAL 110 13.731 -32.772 19.951 1.00 23.03 ATOM 1728 CG1 VAL 110 12.431 -32.530 21.617 1.00 32.33 ATOM 1729 HG11 VAL 110 11.762 -33.131 22.216 1.00 55.11 ATOM 1730 HG12 VAL 110 11.869 -31.747 21.127 1.00 73.24 ATOM 1731 HG13 VAL 110 13.183 -32.086 22.254 1.00 63.14 ATOM 1732 CG2 VAL 110 13.999 -34.466 21.214 1.00 70.12 ATOM 1733 HG21 VAL 110 14.733 -33.981 21.841 1.00 11.43 ATOM 1734 HG22 VAL 110 14.504 -35.035 20.446 1.00 10.34 ATOM 1735 HG23 VAL 110 13.395 -35.130 21.814 1.00 24.35 ATOM 1736 C VAL 110 11.288 -32.975 18.884 1.00 54.44 ATOM 1737 O VAL 110 10.122 -32.698 19.170 1.00 40.32 ATOM 1738 N LEU 111 11.959 -32.371 17.906 1.00 65.21 ATOM 1739 HN LEU 111 12.867 -32.676 17.700 1.00 38.37 ATOM 1740 CA LEU 111 11.393 -31.261 17.135 1.00 73.24 ATOM 1741 HA LEU 111 11.158 -30.471 17.833 1.00 32.13 ATOM 1742 CB LEU 111 12.435 -30.737 16.135 1.00 63.05 ATOM 1743 HB1 LEU 111 12.573 -31.487 15.368 1.00 38.37 ATOM 1744 HB2 LEU 111 13.372 -30.611 16.660 1.00 14.34 ATOM 1745 CG LEU 111 12.082 -29.407 15.447 1.00 43.50 ATOM 1746 HG LEU 111 11.174 -29.534 14.875 1.00 25.44 ATOM 1747 CD1 LEU 111 11.829 -28.313 16.485 1.00 21.11 ATOM 1748 HD11 LEU 111 12.716 -28.172 17.087 1.00 53.02 ATOM 1749 HD12 LEU 111 11.005 -28.601 17.120 1.00 55.31 ATOM 1750 HD13 LEU 111 11.587 -27.388 15.981 1.00 21.31 ATOM 1751 CD2 LEU 111 13.193 -28.988 14.483 1.00 3.41 ATOM 1752 HD21 LEU 111 13.348 -29.768 13.751 1.00 23.14 ATOM 1753 HD22 LEU 111 14.109 -28.823 15.033 1.00 4.14 ATOM 1754 HD23 LEU 111 12.907 -28.076 13.979 1.00 54.55 ATOM 1755 C LEU 111 10.099 -31.671 16.406 1.00 34.21 ATOM 1756 O LEU 111 9.126 -30.918 16.391 1.00 0.50 ATOM 1757 N SER 112 10.090 -32.867 15.811 1.00 54.54 ATOM 1758 HN SER 112 10.913 -33.403 15.800 1.00 38.37 ATOM 1759 CA SER 112 8.878 -33.394 15.154 1.00 43.30 ATOM 1760 HA SER 112 8.603 -32.699 14.372 1.00 21.21 ATOM 1761 CB SER 112 9.142 -34.768 14.520 1.00 35.32 ATOM 1762 HB1 SER 112 8.202 -35.214 14.224 1.00 38.37 ATOM 1763 HB2 SER 112 9.632 -35.407 15.240 1.00 71.52 ATOM 1764 OG SER 112 9.972 -34.660 13.374 1.00 4.22 ATOM 1765 HG SER 112 9.449 -34.856 12.583 1.00 62.22 ATOM 1766 C SER 112 7.706 -33.503 16.139 1.00 72.04 ATOM 1767 O SER 112 6.557 -33.224 15.788 1.00 25.53 ATOM 1768 N SER 113 8.004 -33.907 17.372 1.00 33.35 ATOM 1769 HN SER 113 8.936 -34.139 17.587 1.00 38.37 ATOM 1770 CA SER 113 6.979 -34.013 18.419 1.00 20.45 ATOM 1771 HA SER 113 6.149 -34.575 18.010 1.00 71.53 ATOM 1772 CB SER 113 7.525 -34.760 19.643 1.00 52.54 ATOM 1773 HB1 SER 113 8.384 -34.229 20.031 1.00 38.37 ATOM 1774 HB2 SER 113 7.824 -35.754 19.349 1.00 11.24 ATOM 1775 OG SER 113 6.549 -34.867 20.674 1.00 61.11 ATOM 1776 HG SER 113 5.743 -34.412 20.409 1.00 41.44 ATOM 1777 C SER 113 6.474 -32.627 18.839 1.00 42.22 ATOM 1778 O SER 113 5.282 -32.444 19.084 1.00 43.31 ATOM 1779 N LEU 114 7.388 -31.658 18.920 1.00 61.15 ATOM 1780 HN LEU 114 8.331 -31.880 18.750 1.00 38.37 ATOM 1781 CA LEU 114 7.033 -30.273 19.269 1.00 2.42 ATOM 1782 HA LEU 114 6.501 -30.294 20.210 1.00 1.35 ATOM 1783 CB LEU 114 8.304 -29.426 19.438 1.00 51.04 ATOM 1784 HB1 LEU 114 8.009 -28.405 19.637 1.00 38.37 ATOM 1785 HB2 LEU 114 8.850 -29.447 18.504 1.00 32.33 ATOM 1786 CG LEU 114 9.253 -29.877 20.560 1.00 63.52 ATOM 1787 HG LEU 114 9.544 -30.902 20.381 1.00 34.23 ATOM 1788 CD1 LEU 114 10.521 -29.029 20.562 1.00 41.43 ATOM 1789 HD11 LEU 114 10.264 -27.991 20.720 1.00 35.14 ATOM 1790 HD12 LEU 114 11.025 -29.134 19.612 1.00 32.44 ATOM 1791 HD13 LEU 114 11.178 -29.362 21.353 1.00 43.54 ATOM 1792 CD2 LEU 114 8.556 -29.815 21.920 1.00 72.30 ATOM 1793 HD21 LEU 114 7.700 -30.474 21.916 1.00 31.23 ATOM 1794 HD22 LEU 114 8.229 -28.802 22.115 1.00 24.14 ATOM 1795 HD23 LEU 114 9.244 -30.125 22.693 1.00 15.05 ATOM 1796 C LEU 114 6.123 -29.639 18.201 1.00 4.12 ATOM 1797 O LEU 114 5.058 -29.100 18.514 1.00 51.53 ATOM 1798 N VAL 115 6.548 -29.716 16.939 1.00 74.45 ATOM 1799 HN VAL 115 7.407 -30.149 16.756 1.00 38.37 ATOM 1800 CA VAL 115 5.771 -29.170 15.819 1.00 0.42 ATOM 1801 HA VAL 115 5.647 -28.108 15.990 1.00 45.25 ATOM 1802 CB VAL 115 6.513 -29.358 14.470 1.00 21.43 ATOM 1803 HB VAL 115 6.644 -30.419 14.301 1.00 50.21 ATOM 1804 CG1 VAL 115 5.698 -28.789 13.307 1.00 24.23 ATOM 1805 HG11 VAL 115 6.246 -28.915 12.384 1.00 0.31 ATOM 1806 HG12 VAL 115 5.514 -27.737 13.474 1.00 35.13 ATOM 1807 HG13 VAL 115 4.755 -29.311 13.238 1.00 35.20 ATOM 1808 CG2 VAL 115 7.896 -28.711 14.527 1.00 1.50 ATOM 1809 HG21 VAL 115 8.404 -28.860 13.585 1.00 32.41 ATOM 1810 HG22 VAL 115 8.473 -29.162 15.321 1.00 43.44 ATOM 1811 HG23 VAL 115 7.792 -27.651 14.715 1.00 51.25 ATOM 1812 C VAL 115 4.383 -29.822 15.734 1.00 33.43 ATOM 1813 O VAL 115 3.366 -29.132 15.634 1.00 72.40 ATOM 1814 N THR 116 4.343 -31.155 15.782 1.00 42.22 ATOM 1815 HN THR 116 5.185 -31.658 15.827 1.00 38.37 ATOM 1816 CA THR 116 3.067 -31.886 15.761 1.00 73.41 ATOM 1817 HA THR 116 2.548 -31.608 14.853 1.00 11.54 ATOM 1818 CB THR 116 3.275 -33.421 15.746 1.00 2.52 ATOM 1819 HB THR 116 3.851 -33.699 16.620 1.00 34.11 ATOM 1820 OG1 THR 116 4.007 -33.803 14.568 1.00 22.34 ATOM 1821 HG1 THR 116 4.914 -34.027 14.815 1.00 10.42 ATOM 1822 CG2 THR 116 1.939 -34.167 15.784 1.00 14.55 ATOM 1823 HG21 THR 116 1.409 -33.920 16.697 1.00 52.01 ATOM 1824 HG22 THR 116 2.119 -35.232 15.754 1.00 44.31 ATOM 1825 HG23 THR 116 1.340 -33.879 14.933 1.00 52.34 ATOM 1826 C THR 116 2.190 -31.504 16.961 1.00 41.04 ATOM 1827 O THR 116 0.981 -31.339 16.819 1.00 25.31 ATOM 1828 N LEU 117 2.806 -31.359 18.137 1.00 63.11 ATOM 1829 HN LEU 117 3.761 -31.572 18.203 1.00 38.37 ATOM 1830 CA LEU 117 2.098 -30.897 19.340 1.00 11.53 ATOM 1831 HA LEU 117 1.366 -31.648 19.602 1.00 71.52 ATOM 1832 CB LEU 117 3.089 -30.733 20.504 1.00 55.03 ATOM 1833 HB1 LEU 117 3.834 -30.004 20.211 1.00 38.37 ATOM 1834 HB2 LEU 117 3.586 -31.681 20.660 1.00 14.12 ATOM 1835 CG LEU 117 2.477 -30.281 21.841 1.00 52.22 ATOM 1836 HG LEU 117 1.944 -29.353 21.687 1.00 5.44 ATOM 1837 CD1 LEU 117 1.478 -31.308 22.361 1.00 5.04 ATOM 1838 HD11 LEU 117 1.974 -32.257 22.511 1.00 32.55 ATOM 1839 HD12 LEU 117 0.682 -31.429 21.642 1.00 14.14 ATOM 1840 HD13 LEU 117 1.063 -30.966 23.299 1.00 34.13 ATOM 1841 CD2 LEU 117 3.570 -30.026 22.875 1.00 62.14 ATOM 1842 HD21 LEU 117 3.120 -29.706 23.804 1.00 3.33 ATOM 1843 HD22 LEU 117 4.234 -29.253 22.516 1.00 13.22 ATOM 1844 HD23 LEU 117 4.132 -30.934 23.041 1.00 23.43 ATOM 1845 C LEU 117 1.372 -29.566 19.074 1.00 72.42 ATOM 1846 O LEU 117 0.199 -29.404 19.417 1.00 52.43 ATOM 1847 N ASN 118 2.080 -28.618 18.458 1.00 62.23 ATOM 1848 HN ASN 118 3.030 -28.781 18.271 1.00 38.37 ATOM 1849 CA ASN 118 1.486 -27.335 18.064 1.00 12.30 ATOM 1850 HA ASN 118 1.103 -26.858 18.956 1.00 1.23 ATOM 1851 CB ASN 118 2.553 -26.429 17.432 1.00 62.41 ATOM 1852 HB1 ASN 118 2.952 -26.915 16.552 1.00 38.37 ATOM 1853 HB2 ASN 118 3.351 -26.276 18.143 1.00 63.44 ATOM 1854 CG ASN 118 2.009 -25.066 17.024 1.00 20.02 ATOM 1855 OD1 ASN 118 2.331 -24.550 15.959 1.00 1.24 ATOM 1856 ND2 ASN 118 1.209 -24.454 17.880 1.00 41.33 ATOM 1857 HD21 ASN 118 1.008 -24.893 18.728 1.00 22.12 ATOM 1858 HD22 ASN 118 0.852 -23.576 17.626 1.00 20.11 ATOM 1859 C ASN 118 0.330 -27.540 17.070 1.00 21.50 ATOM 1860 O ASN 118 -0.764 -27.019 17.259 1.00 13.14 ATOM 1861 N LYS 119 0.588 -28.317 16.020 1.00 23.42 ATOM 1862 HN LYS 119 1.467 -28.744 15.958 1.00 38.37 ATOM 1863 CA LYS 119 -0.394 -28.551 14.950 1.00 64.53 ATOM 1864 HA LYS 119 -0.634 -27.591 14.515 1.00 61.40 ATOM 1865 CB LYS 119 0.227 -29.438 13.862 1.00 12.54 ATOM 1866 HB1 LYS 119 -0.533 -29.677 13.130 1.00 38.37 ATOM 1867 HB2 LYS 119 0.576 -30.355 14.317 1.00 5.14 ATOM 1868 CG LYS 119 1.401 -28.785 13.137 1.00 5.42 ATOM 1869 HG1 LYS 119 2.109 -28.427 13.871 1.00 38.37 ATOM 1870 HG2 LYS 119 1.032 -27.950 12.558 1.00 35.52 ATOM 1871 CD LYS 119 2.110 -29.758 12.199 1.00 61.43 ATOM 1872 HD1 LYS 119 2.518 -30.571 12.783 1.00 38.37 ATOM 1873 HD2 LYS 119 2.915 -29.237 11.700 1.00 22.15 ATOM 1874 CE LYS 119 1.169 -30.329 11.145 1.00 22.34 ATOM 1875 HE1 LYS 119 0.724 -29.512 10.595 1.00 38.37 ATOM 1876 HE2 LYS 119 0.393 -30.896 11.638 1.00 61.42 ATOM 1877 NZ LYS 119 1.885 -31.219 10.194 1.00 41.22 ATOM 1878 HZ1 LYS 119 2.328 -32.009 10.707 1.00 10.14 ATOM 1879 HZ2 LYS 119 2.624 -30.685 9.693 1.00 42.15 ATOM 1880 HZ3 LYS 119 1.219 -31.603 9.495 1.00 31.14 ATOM 1881 C LYS 119 -1.695 -29.191 15.465 1.00 34.42 ATOM 1882 O LYS 119 -2.787 -28.692 15.192 1.00 4.40 ATOM 1883 N VAL 120 -1.578 -30.294 16.205 1.00 25.44 ATOM 1884 HN VAL 120 -0.683 -30.623 16.432 1.00 38.37 ATOM 1885 CA VAL 120 -2.757 -31.029 16.686 1.00 63.33 ATOM 1886 HA VAL 120 -3.365 -31.260 15.820 1.00 42.05 ATOM 1887 CB VAL 120 -2.365 -32.369 17.359 1.00 15.22 ATOM 1888 HB VAL 120 -3.270 -32.853 17.704 1.00 24.25 ATOM 1889 CG1 VAL 120 -1.692 -33.299 16.350 1.00 13.33 ATOM 1890 HG11 VAL 120 -0.809 -32.821 15.951 1.00 74.13 ATOM 1891 HG12 VAL 120 -2.378 -33.516 15.545 1.00 54.11 ATOM 1892 HG13 VAL 120 -1.411 -34.222 16.839 1.00 72.02 ATOM 1893 CG2 VAL 120 -1.461 -32.132 18.568 1.00 72.52 ATOM 1894 HG21 VAL 120 -1.982 -31.523 19.294 1.00 52.01 ATOM 1895 HG22 VAL 120 -0.562 -31.624 18.254 1.00 71.22 ATOM 1896 HG23 VAL 120 -1.200 -33.080 19.017 1.00 45.34 ATOM 1897 C VAL 120 -3.610 -30.195 17.659 1.00 11.33 ATOM 1898 O VAL 120 -4.841 -30.272 17.639 1.00 60.11 ATOM 1899 N THR 121 -2.958 -29.393 18.503 1.00 61.15 ATOM 1900 HN THR 121 -1.976 -29.380 18.489 1.00 38.37 ATOM 1901 CA THR 121 -3.675 -28.527 19.452 1.00 64.31 ATOM 1902 HA THR 121 -4.514 -29.091 19.840 1.00 11.41 ATOM 1903 CB THR 121 -2.785 -28.114 20.647 1.00 34.41 ATOM 1904 HB THR 121 -3.340 -27.425 21.271 1.00 53.31 ATOM 1905 OG1 THR 121 -1.598 -27.459 20.177 1.00 55.22 ATOM 1906 HG1 THR 121 -0.850 -28.064 20.240 1.00 33.13 ATOM 1907 CG2 THR 121 -2.405 -29.331 21.486 1.00 23.02 ATOM 1908 HG21 THR 121 -1.833 -29.013 22.344 1.00 62.23 ATOM 1909 HG22 THR 121 -1.811 -30.010 20.891 1.00 21.25 ATOM 1910 HG23 THR 121 -3.301 -29.835 21.819 1.00 64.24 ATOM 1911 C THR 121 -4.218 -27.271 18.758 1.00 14.52 ATOM 1912 O THR 121 -5.314 -26.803 19.068 1.00 40.23 ATOM 1913 N ALA 122 -3.451 -26.729 17.813 1.00 3.24 ATOM 1914 HN ALA 122 -2.539 -27.065 17.692 1.00 38.37 ATOM 1915 CA ALA 122 -3.930 -25.631 16.965 1.00 60.12 ATOM 1916 HA ALA 122 -4.173 -24.794 17.606 1.00 34.43 ATOM 1917 CB ALA 122 -2.841 -25.191 15.992 1.00 22.52 ATOM 1918 HB1 ALA 122 -1.963 -24.889 16.546 1.00 13.20 ATOM 1919 HB2 ALA 122 -3.197 -24.358 15.404 1.00 0.13 ATOM 1920 HB3 ALA 122 -2.586 -26.012 15.337 1.00 21.31 ATOM 1921 C ALA 122 -5.190 -26.059 16.207 1.00 53.44 ATOM 1922 O ALA 122 -6.150 -25.298 16.087 1.00 54.41 ATOM 1923 N ASP 123 -5.172 -27.299 15.724 1.00 13.44 ATOM 1924 HN ASP 123 -4.348 -27.822 15.811 1.00 38.37 ATOM 1925 CA ASP 123 -6.322 -27.908 15.055 1.00 31.22 ATOM 1926 HA ASP 123 -6.578 -27.293 14.204 1.00 52.22 ATOM 1927 CB ASP 123 -5.930 -29.307 14.562 1.00 31.24 ATOM 1928 HB1 ASP 123 -5.762 -29.949 15.417 1.00 38.37 ATOM 1929 HB2 ASP 123 -5.014 -29.236 13.991 1.00 50.22 ATOM 1930 CG ASP 123 -6.990 -29.941 13.683 1.00 25.41 ATOM 1931 OD1 ASP 123 -7.772 -30.776 14.188 1.00 41.03 ATOM 1932 OD2 ASP 123 -7.038 -29.613 12.479 1.00 51.03 ATOM 1933 C ASP 123 -7.539 -27.985 16.001 1.00 72.15 ATOM 1934 O ASP 123 -8.689 -27.996 15.556 1.00 10.20 ATOM 1935 N ILE 124 -7.276 -28.051 17.307 1.00 5.23 ATOM 1936 HN ILE 124 -6.345 -28.136 17.598 1.00 38.37 ATOM 1937 CA ILE 124 -8.340 -28.001 18.318 1.00 4.11 ATOM 1938 HA ILE 124 -9.155 -28.628 17.974 1.00 11.32 ATOM 1939 CB ILE 124 -7.853 -28.546 19.691 1.00 4.11 ATOM 1940 HB ILE 124 -7.018 -27.939 20.014 1.00 70.32 ATOM 1941 CG1 ILE 124 -7.383 -30.005 19.554 1.00 52.14 ATOM 1942 HG11 ILE 124 -6.592 -30.051 18.819 1.00 38.37 ATOM 1943 HG12 ILE 124 -8.210 -30.614 19.221 1.00 51.55 ATOM 1944 CG2 ILE 124 -8.953 -28.430 20.751 1.00 72.33 ATOM 1945 HG21 ILE 124 -8.588 -28.810 21.694 1.00 3.13 ATOM 1946 HG22 ILE 124 -9.817 -29.004 20.444 1.00 42.43 ATOM 1947 HG23 ILE 124 -9.234 -27.393 20.868 1.00 72.04 ATOM 1948 CD1 ILE 124 -6.854 -30.609 20.841 1.00 1.45 ATOM 1949 HD11 ILE 124 -7.627 -30.589 21.596 1.00 32.12 ATOM 1950 HD12 ILE 124 -6.001 -30.042 21.183 1.00 0.43 ATOM 1951 HD13 ILE 124 -6.556 -31.632 20.660 1.00 31.41 ATOM 1952 C ILE 124 -8.862 -26.563 18.489 1.00 63.44 ATOM 1953 O ILE 124 -10.061 -26.346 18.684 1.00 13.42 ATOM 1954 N GLY 125 -7.957 -25.581 18.416 1.00 21.42 ATOM 1955 HN GLY 125 -7.008 -25.811 18.318 1.00 38.37 ATOM 1956 CA GLY 125 -8.367 -24.179 18.474 1.00 40.13 ATOM 1957 HA1 GLY 125 -9.349 -24.123 18.927 1.00 38.37 ATOM 1958 HA2 GLY 125 -8.437 -23.802 17.465 1.00 25.11 ATOM 1959 C GLY 125 -7.416 -23.275 19.261 1.00 4.44 ATOM 1960 O GLY 125 -7.787 -22.738 20.309 1.00 52.13 ATOM 1961 N LEU 126 -6.197 -23.084 18.751 1.00 43.53 ATOM 1962 HN LEU 126 -5.940 -23.569 17.939 1.00 38.37 ATOM 1963 HA LEU 126 -5.502 -22.049 20.413 1.00 14.11 ATOM 1964 CB LEU 126 -3.796 -22.708 19.293 1.00 73.30 ATOM 1965 HB1 LEU 126 -3.113 -21.920 19.582 1.00 38.37 ATOM 1966 HB2 LEU 126 -3.594 -22.972 18.264 1.00 51.23 ATOM 1967 CG LEU 126 -3.504 -23.937 20.170 1.00 73.04 ATOM 1968 HG LEU 126 -4.116 -24.763 19.832 1.00 54.32 ATOM 1969 CD1 LEU 126 -2.040 -24.355 20.033 1.00 14.11 ATOM 1970 HD11 LEU 126 -1.400 -23.546 20.358 1.00 65.52 ATOM 1971 HD12 LEU 126 -1.826 -24.588 19.000 1.00 4.51 ATOM 1972 HD13 LEU 126 -1.853 -25.228 20.642 1.00 22.44 ATOM 1973 CD2 LEU 126 -3.854 -23.657 21.633 1.00 24.12 ATOM 1974 HD21 LEU 126 -3.287 -22.806 21.984 1.00 42.31 ATOM 1975 HD22 LEU 126 -3.614 -24.522 22.235 1.00 43.01 ATOM 1976 HD23 LEU 126 -4.910 -23.445 21.717 1.00 52.21 ATOM 1977 CA LEU 126 -5.229 -22.154 19.370 1.00 44.05 ATOM 1978 C LEU 126 -5.282 -20.761 18.710 1.00 23.35 ATOM 1979 OT1 LEU 126 -4.858 -20.637 17.537 1.00 38.37 ATOM 1980 OT2 LEU 126 -5.735 -19.797 19.370 1.00 38.37 ATOM 1981 OH2 TIP3 1 -5.619 -47.384 18.716 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -5.063 -47.632 17.966 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -5.612 -46.397 18.702 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -5.277 -39.289 19.656 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.205 -39.556 19.493 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -5.260 -39.048 20.601 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.867 -39.891 18.951 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.788 -39.358 18.125 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -8.450 -39.351 19.527 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.025 -45.711 19.832 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -7.245 -45.663 20.426 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.039 -46.633 19.535 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -6.232 -49.977 19.207 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.210 -49.037 18.930 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -5.383 -50.339 18.869 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -0.222 -46.522 18.601 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -0.641 -45.813 19.100 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 0.149 -46.067 17.810 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -7.352 -38.196 16.870 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -6.961 -38.457 16.001 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -6.683 -37.586 17.257 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -5.272 -44.676 18.515 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -5.938 -43.983 18.695 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -4.544 -44.202 18.101 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -8.413 -47.262 22.587 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.653 -46.688 22.337 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -8.554 -47.829 21.791 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.101 -42.569 18.890 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -7.325 -41.609 18.873 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -7.863 -42.995 18.478 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -12.393 -42.827 25.927 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -12.938 -42.046 25.792 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -12.131 -43.099 25.020 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.101 -47.958 24.943 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.624 -47.831 24.127 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -6.805 -48.900 24.894 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -9.063 -51.293 21.903 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -9.443 -50.645 22.551 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -9.609 -52.078 22.010 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -10.002 -49.349 23.465 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -9.580 -48.489 23.290 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -10.618 -49.165 24.212 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -6.390 -50.722 21.837 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -6.258 -50.705 20.868 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -7.330 -50.993 21.943 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -11.393 -43.938 23.605 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -11.309 -43.880 22.644 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.506 -44.252 23.900 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -0.601 -39.679 15.718 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -1.322 -39.206 15.248 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -0.994 -39.910 16.575 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -6.169 -45.896 21.875 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.601 -46.687 21.750 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -5.725 -45.398 22.603 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -8.452 -39.845 24.961 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -8.115 -39.192 24.323 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -8.778 -39.299 25.709 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -9.844 -44.043 20.911 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -10.581 -44.084 20.294 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -9.224 -44.741 20.589 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -4.149 -39.611 12.743 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -4.238 -39.314 11.829 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -3.469 -40.313 12.703 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -8.502 -48.943 20.423 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -7.821 -49.331 19.844 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -8.926 -49.718 20.838 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -5.980 -50.344 24.509 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -6.025 -50.514 23.542 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -5.603 -51.148 24.873 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -3.694 -50.216 18.260 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -3.375 -50.896 17.660 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -2.874 -49.767 18.570 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.634 -42.280 26.201 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.723 -41.482 25.630 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -8.005 -41.999 26.900 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -11.673 -45.900 25.772 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -11.904 -45.360 24.997 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -11.301 -45.262 26.401 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.490 -45.621 26.316 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -7.275 -46.499 25.928 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.999 -45.838 27.130 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -11.676 -48.593 25.450 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -11.665 -47.616 25.566 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -12.406 -48.887 25.997 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -5.368 -44.444 30.842 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.171 -44.972 30.760 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -4.882 -44.614 30.002 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -4.477 -47.299 25.449 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -5.412 -47.572 25.340 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -3.998 -47.800 24.754 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -3.003 -48.302 23.319 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -3.700 -48.234 22.629 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -2.267 -48.732 22.868 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -4.966 -48.276 21.407 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.063 -48.161 20.442 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -5.463 -49.097 21.602 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -3.234 -39.460 17.437 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -4.047 -39.802 17.836 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -2.814 -38.949 18.159 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -9.268 -38.208 26.967 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -8.978 -38.746 27.738 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -9.313 -37.294 27.319 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -9.380 -38.063 20.433 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -9.031 -37.188 20.708 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -9.871 -38.373 21.205 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -2.855 -38.416 14.866 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.502 -38.803 14.241 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.172 -38.706 15.749 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 0.718 -42.584 34.453 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 1.014 -43.433 34.074 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 1.544 -42.167 34.772 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -5.709 -38.922 37.967 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.028 -39.615 37.817 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -5.186 -38.100 38.084 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -2.043 -42.049 39.244 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -1.420 -41.437 38.784 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -2.916 -41.802 38.896 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.077 -39.081 33.791 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.353 -39.729 33.938 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.649 -38.215 33.910 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.890 -40.758 34.420 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -2.940 -40.849 34.659 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.080 -41.564 33.887 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 1.663 -44.163 40.562 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 0.876 -44.260 40.001 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 2.359 -43.866 39.940 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -9.173 -46.085 28.389 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.666 -45.258 28.193 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.857 -46.759 28.447 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -5.747 -43.511 26.207 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -6.452 -44.188 26.346 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -6.007 -42.768 26.791 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 1.357 -41.526 41.451 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 1.507 -42.468 41.243 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 0.396 -41.473 41.627 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.821 -35.594 32.731 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.286 -35.121 33.454 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.034 -35.068 31.929 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -6.754 -34.565 27.076 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -6.116 -34.399 27.798 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -6.218 -34.977 26.373 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.821 -38.314 31.647 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -7.957 -37.417 31.997 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -7.295 -38.762 32.338 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -4.133 -44.640 28.371 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.493 -44.376 27.504 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.580 -45.428 28.170 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.593 -37.237 43.769 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -5.140 -37.774 44.377 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -3.679 -37.576 43.909 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -10.441 -43.840 27.479 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -9.696 -43.419 26.982 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -11.247 -43.418 27.096 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.548 -39.138 39.945 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.060 -38.492 40.497 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -7.085 -39.103 39.078 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 2.431 -44.171 43.245 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 2.105 -44.387 42.347 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 3.401 -44.188 43.156 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -6.679 -41.379 27.857 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.881 -41.494 28.420 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.165 -40.641 28.283 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.739 -39.565 40.790 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -3.491 -39.911 41.672 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -4.414 -40.206 40.466 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -4.550 -42.107 29.408 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -4.152 -42.877 28.958 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -4.818 -42.452 30.270 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -3.577 -40.443 37.227 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -3.903 -40.662 36.332 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -2.624 -40.320 37.106 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -9.760 -41.922 29.466 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -10.025 -42.542 28.762 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -10.043 -42.352 30.277 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -8.982 -44.973 24.105 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -8.466 -45.132 24.926 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -8.923 -45.820 23.619 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -0.328 -44.162 24.658 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 0.266 -44.416 23.946 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -0.625 -43.264 24.415 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -8.321 -39.541 29.192 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -8.872 -40.328 29.403 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -8.196 -39.094 30.062 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -3.698 -40.926 43.192 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -4.673 -41.051 43.193 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -3.492 -40.666 44.109 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -4.200 -43.074 32.953 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -4.734 -43.494 32.246 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -3.682 -43.797 33.316 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 1.585 -45.674 30.971 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 1.506 -45.440 31.915 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 0.671 -45.922 30.703 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 2.193 -44.836 33.751 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 2.169 -44.861 34.734 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 3.142 -44.783 33.541 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 2.319 -44.501 36.568 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 2.947 -44.215 37.248 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 1.449 -44.224 36.920 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -0.679 -46.205 29.471 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -0.374 -46.017 28.560 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -1.569 -46.568 29.347 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -2.822 -46.973 27.601 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -3.557 -47.120 26.967 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.033 -47.259 27.111 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.152 -37.664 34.619 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -1.918 -37.346 35.143 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -0.886 -36.882 34.088 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.863 -40.494 41.955 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -9.754 -40.748 41.701 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.532 -39.977 41.189 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -5.818 -41.294 40.557 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -6.580 -40.790 40.228 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -6.015 -41.434 41.500 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.961 -38.226 39.260 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -1.426 -38.928 38.852 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.561 -38.709 39.876 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -9.213 -35.576 27.863 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -9.281 -35.289 28.787 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -8.344 -35.227 27.568 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -1.391 -41.662 41.910 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -1.629 -41.913 40.989 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.260 -41.558 42.358 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -3.222 -39.972 45.764 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.505 -40.494 46.146 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.760 -39.227 45.310 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -0.482 -40.436 44.240 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -0.774 -40.839 43.398 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 0.314 -40.950 44.484 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -5.787 -39.125 45.442 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -4.916 -39.528 45.663 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -6.208 -38.988 46.298 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.429 -31.205 7.181 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -3.786 -31.662 6.604 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -5.299 -31.425 6.787 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -6.811 -31.902 5.962 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -7.373 -32.655 5.751 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -7.285 -31.448 6.689 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -7.646 -30.775 8.312 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -8.188 -30.421 9.060 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -6.759 -30.437 8.483 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -8.861 -29.902 10.554 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -9.702 -29.986 11.032 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -8.191 -29.790 11.271 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.830 -32.433 5.303 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.392 -32.582 4.535 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -1.970 -32.137 4.919 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -9.093 -33.149 7.859 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -8.618 -33.709 8.515 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -8.758 -32.249 8.032 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -8.048 -34.644 9.878 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -8.868 -35.142 10.091 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -7.489 -34.760 10.672 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -6.766 -35.170 12.273 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -5.915 -35.621 12.060 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -6.513 -34.472 12.914 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -1.914 -26.409 11.377 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -2.721 -26.005 11.783 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -1.294 -25.657 11.280 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -0.544 -31.438 4.184 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -0.056 -31.821 3.449 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 0.118 -30.883 4.647 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.347 -33.848 7.231 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -2.081 -33.651 6.619 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.640 -34.650 7.712 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -1.517 -36.036 8.910 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -1.996 -36.844 9.117 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -1.648 -35.466 9.708 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -4.404 -36.364 11.678 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -3.701 -36.762 12.224 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -3.951 -35.650 11.200 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -15.538 -28.137 23.638 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -14.793 -28.095 23.018 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -15.269 -28.812 24.285 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -11.844 -24.648 17.712 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -11.105 -25.258 17.907 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -12.103 -24.303 18.595 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -12.008 -31.017 22.032 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -12.261 -30.078 21.994 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -11.655 -31.207 21.132 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -12.167 -26.699 20.394 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -12.177 -25.723 20.515 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -11.462 -26.844 19.735 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -12.129 -23.962 20.364 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -11.385 -23.512 20.825 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -12.936 -23.545 20.754 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -16.261 -23.100 23.613 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -16.824 -23.001 24.381 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -16.374 -24.045 23.352 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -14.856 -25.829 20.628 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -15.066 -25.439 19.747 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -14.039 -26.336 20.475 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -12.867 -28.374 22.467 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -12.374 -27.985 23.218 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -12.644 -27.791 21.704 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -14.408 -23.181 21.578 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -14.996 -22.914 22.315 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -14.739 -24.058 21.317 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -6.424 -38.723 14.354 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -7.069 -38.267 13.778 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.737 -39.040 13.741 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -11.882 -33.358 14.268 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -11.942 -33.764 13.378 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.918 -33.320 14.450 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -4.139 -21.665 7.660 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -4.495 -21.442 6.798 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -4.096 -22.648 7.655 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -10.102 -22.658 21.664 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -9.197 -22.721 21.305 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.219 -21.708 21.855 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -9.216 -18.112 13.692 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -8.722 -17.342 13.385 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -9.284 -17.984 14.667 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -5.425 -17.589 10.141 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -4.953 -18.442 10.173 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -5.252 -17.258 9.261 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -5.619 -20.932 12.013 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -4.972 -20.526 12.620 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -6.468 -20.838 12.479 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.532 -37.178 24.672 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -10.310 -37.697 25.469 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -10.958 -36.368 25.027 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -10.240 -29.804 13.094 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -9.372 -30.100 13.441 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -10.188 -28.826 13.124 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -5.381 -31.451 11.175 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -5.976 -30.782 11.578 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -5.938 -31.907 10.533 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -12.492 -32.418 24.367 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -12.295 -32.000 23.495 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -11.993 -33.246 24.349 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -12.980 -28.312 15.919 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -13.555 -28.568 16.644 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -12.768 -29.159 15.468 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -7.244 -29.066 27.731 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -7.556 -28.249 28.192 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -6.418 -28.793 27.302 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -10.413 -35.828 10.471 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -11.059 -35.508 11.141 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -10.824 -35.597 9.618 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -11.035 -31.476 19.492 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -10.876 -31.065 18.615 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -10.733 -32.388 19.383 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -10.526 -30.403 16.959 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.041 -29.647 16.607 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.175 -30.615 16.260 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -8.987 -33.406 17.432 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -9.364 -33.372 16.534 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -8.149 -32.913 17.354 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -13.374 -33.834 9.593 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -12.634 -34.141 9.028 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -13.989 -33.431 8.979 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -8.830 -35.589 21.642 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -9.046 -34.986 22.367 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -9.296 -35.198 20.860 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.033 -27.058 13.549 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -9.523 -27.363 14.332 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.842 -26.658 13.935 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -15.467 -24.389 18.394 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -14.878 -23.966 17.731 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -16.165 -23.743 18.531 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -8.612 -24.715 13.150 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -9.070 -25.575 13.260 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -7.921 -24.898 12.502 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -11.868 -27.827 25.100 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -12.622 -28.427 25.266 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -11.163 -28.159 25.702 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -3.918 -19.925 14.016 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -4.060 -20.800 14.437 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -3.868 -19.311 14.758 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -10.361 -20.554 17.193 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -10.000 -19.774 16.725 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -10.924 -20.999 16.518 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -11.899 -25.907 15.201 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -11.992 -25.433 16.052 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -12.355 -26.767 15.358 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.107 -21.325 15.246 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -11.730 -22.135 14.823 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -12.032 -20.637 14.547 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -4.258 -25.589 12.499 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.599 -24.755 12.845 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -5.061 -26.090 12.242 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -0.614 -21.718 10.343 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -1.173 -21.559 9.576 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -0.989 -21.129 11.037 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -10.968 -23.504 14.123 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -10.125 -23.776 13.714 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.380 -24.346 14.401 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -7.003 -34.117 23.421 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -6.454 -34.778 23.889 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -6.943 -34.372 22.493 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -9.171 -33.090 14.607 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -8.829 -32.181 14.446 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.488 -33.667 14.242 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -6.946 -22.908 14.514 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -7.600 -23.549 14.174 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.312 -22.034 14.264 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -10.186 -34.660 19.503 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.663 -35.389 19.060 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -9.699 -34.213 18.771 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -12.429 -37.013 15.955 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -12.359 -36.978 16.922 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -11.511 -37.161 15.657 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -12.409 -34.769 11.959 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -12.923 -34.377 11.217 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -13.094 -35.162 12.547 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -5.375 -25.021 26.796 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -5.451 -25.988 26.776 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -4.542 -24.857 27.275 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -4.142 -20.037 9.902 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -4.759 -20.483 10.527 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.139 -20.620 9.110 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -9.220 -23.551 26.571 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -9.628 -24.275 26.036 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -9.927 -22.905 26.664 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -6.526 -27.006 11.641 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -6.723 -27.894 12.019 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -6.870 -27.052 10.744 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.222 -30.689 14.764 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.328 -31.657 14.626 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.619 -30.410 14.037 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -13.710 -29.929 24.678 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -13.432 -29.692 23.774 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -13.483 -30.875 24.755 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -11.295 -34.740 8.013 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.180 -35.267 7.215 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.572 -34.066 7.961 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -10.782 -25.222 25.085 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -11.198 -26.107 25.165 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -11.035 -24.921 24.206 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -2.875 -28.973 11.133 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -3.536 -29.225 11.790 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -2.634 -28.052 11.372 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.062 -37.386 23.599 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -8.106 -36.849 22.785 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.970 -37.320 23.977 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.970 -31.563 27.102 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.079 -30.626 26.840 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -9.366 -31.938 26.416 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.009 -28.801 26.913 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -9.037 -28.754 26.910 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.245 -28.764 27.864 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -8.187 -32.789 25.493 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -7.727 -33.373 26.126 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -7.874 -33.097 24.617 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -11.281 -34.942 26.069 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.560 -35.118 26.708 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -11.833 -34.269 26.514 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -2.461 -29.882 8.584 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -3.280 -30.320 8.249 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -2.667 -29.681 9.529 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.491 -37.153 13.072 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -7.890 -36.418 12.820 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -9.204 -37.109 12.416 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -5.195 -37.054 18.101 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -4.262 -36.877 17.943 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -5.194 -37.828 18.700 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -3.808 -33.190 12.652 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -4.494 -33.311 13.332 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -4.178 -32.496 12.065 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -16.464 -25.692 22.850 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -16.020 -25.797 21.984 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -16.311 -26.550 23.300 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -7.103 -19.178 21.627 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -6.653 -19.377 20.770 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -7.334 -20.045 21.977 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -8.881 -17.662 19.220 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.626 -18.596 19.392 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.798 -17.599 19.578 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.509 -19.566 13.271 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.691 -19.037 13.383 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.583 -19.688 12.321 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -13.810 -22.987 16.703 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -13.419 -22.299 16.131 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -13.048 -23.542 16.962 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -6.774 -31.929 16.588 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -6.154 -31.316 17.028 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -7.239 -31.371 15.931 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -10.888 -37.098 18.319 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -10.394 -37.268 17.496 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -10.372 -37.558 19.009 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.684 -37.456 15.707 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.408 -37.346 14.776 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.856 -37.709 16.169 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -6.261 -33.205 14.113 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -6.707 -32.367 13.872 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -6.255 -33.196 15.089 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -13.817 -35.470 14.164 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -13.493 -36.179 14.760 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -13.383 -34.668 14.497 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -4.475 -22.229 15.379 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -4.749 -21.772 16.205 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -5.311 -22.624 15.033 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.002 -26.460 35.696 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -6.450 -27.288 35.441 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -6.502 -25.762 35.216 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -5.905 -29.610 37.865 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -5.963 -29.614 38.851 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -5.761 -30.556 37.632 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -2.366 -24.903 36.399 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -2.240 -25.810 36.084 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -2.040 -24.926 37.321 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.392 -33.394 39.374 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -6.797 -34.139 39.580 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -6.901 -32.616 39.656 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -6.764 -29.084 35.305 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -6.174 -29.702 34.845 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -6.545 -29.203 36.256 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -1.004 -35.489 39.404 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -1.324 -36.403 39.523 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -0.059 -35.536 39.621 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -7.492 -24.745 34.209 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -7.833 -24.713 33.294 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.223 -23.827 34.395 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -0.073 -26.873 36.099 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -0.199 -27.628 35.485 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 0.016 -27.293 36.972 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -5.266 -35.217 39.994 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -5.632 -35.967 40.513 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -4.868 -35.653 39.203 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.073 -22.885 31.630 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.866 -23.456 31.691 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -6.338 -22.055 32.093 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -4.241 -22.832 36.003 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -3.625 -22.275 35.486 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -3.726 -23.641 36.194 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.698 -31.614 33.315 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -7.550 -32.068 34.157 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -6.827 -31.225 33.095 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -8.227 -31.313 29.202 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -7.709 -30.611 28.759 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.910 -31.557 28.539 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -2.956 -30.064 39.416 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -2.511 -29.844 38.565 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -3.402 -30.911 39.245 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.761 -22.286 35.269 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -5.823 -22.482 35.524 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -7.265 -22.484 36.065 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -4.107 -21.495 27.333 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.738 -21.742 26.634 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -4.337 -22.095 28.079 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -4.924 -23.252 29.229 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -5.342 -23.190 30.119 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -4.362 -24.044 29.281 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -3.752 -32.786 39.278 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -3.371 -32.584 40.173 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.175 -33.657 39.396 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -3.575 -35.115 42.330 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -4.110 -35.116 41.515 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -4.016 -35.774 42.908 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -12.445 -32.647 27.153 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -11.546 -32.249 27.216 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -12.732 -32.440 26.244 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -5.514 -32.214 37.263 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.830 -33.083 36.922 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -4.825 -32.452 37.913 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.926 -29.929 40.609 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.199 -29.425 41.046 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -6.418 -30.307 41.341 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -8.934 -34.194 34.917 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.878 -33.463 35.577 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -8.925 -35.006 35.469 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -6.184 -34.758 36.468 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -5.880 -35.212 35.671 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -7.040 -35.186 36.675 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.529 -32.420 36.952 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.175 -32.881 37.743 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -8.370 -31.488 37.133 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -9.406 -27.218 31.249 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -9.959 -27.873 30.773 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -9.084 -27.711 32.040 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -4.062 -28.515 42.079 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -3.763 -27.811 41.479 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -3.236 -28.841 42.495 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -5.092 -34.159 29.441 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -5.734 -33.653 29.956 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -4.214 -33.861 29.788 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.229 -24.673 31.529 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.185 -24.449 30.574 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.707 -25.529 31.551 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -4.118 -27.636 37.214 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -4.656 -27.006 36.677 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -4.760 -28.331 37.475 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -8.515 -28.937 33.171 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -8.515 -29.901 33.054 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -7.978 -28.798 33.977 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -5.669 -37.611 41.294 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -4.971 -38.231 40.991 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -5.470 -37.478 42.246 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -5.477 -36.308 33.940 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -6.386 -36.209 33.566 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -4.941 -35.703 33.410 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -7.783 -24.126 28.873 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -6.898 -23.746 28.716 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -8.290 -23.893 28.065 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -10.088 -32.842 32.827 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -9.365 -32.180 32.854 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -9.911 -33.415 33.602 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -8.588 -33.789 30.682 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -9.295 -33.502 31.295 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -8.387 -32.987 30.160 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -4.005 -36.786 38.177 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.226 -37.230 38.581 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.696 -36.532 37.281 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -6.611 -22.598 26.392 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -7.546 -22.865 26.280 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -6.125 -23.452 26.437 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -8.143 -26.841 28.854 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -8.629 -26.953 29.698 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.990 -25.876 28.794 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.321 -29.348 29.688 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -9.576 -29.958 29.809 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -11.113 -29.938 29.679 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -12.192 -31.362 29.657 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -12.463 -31.927 30.411 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -12.484 -31.860 28.868 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -1.799 -29.011 37.253 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -2.575 -28.426 37.106 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.431 -29.161 36.346 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -2.739 -32.580 41.732 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -2.989 -33.427 42.152 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.985 -32.263 42.264 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -1.063 -32.783 38.365 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -0.823 -33.714 38.541 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.017 -32.748 38.555 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 1.320 -34.104 43.148 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 2.112 -33.707 43.567 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 1.623 -34.970 42.846 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 3.101 -39.439 41.466 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 2.367 -40.088 41.353 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 3.641 -39.549 40.652 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -3.420 -22.236 31.784 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -3.439 -21.905 30.880 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -4.339 -22.538 31.948 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -8.577 -36.184 36.747 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -8.333 -37.093 36.439 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -9.038 -36.335 37.580 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -3.303 -36.279 35.597 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.107 -36.531 35.097 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -3.240 -35.307 35.470 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -7.616 -38.581 36.044 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -7.221 -38.892 35.207 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -6.940 -38.793 36.722 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -4.109 -36.626 28.701 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -4.407 -35.743 28.998 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -4.751 -37.233 29.076 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -12.672 -32.870 31.917 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -13.167 -32.841 32.739 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -11.732 -32.855 32.200 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -9.329 -18.595 24.125 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -10.201 -18.719 24.511 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -9.415 -18.964 23.220 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -6.451 -40.781 43.245 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -6.430 -40.201 44.031 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -7.380 -40.722 42.928 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -1.036 -35.808 43.254 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -0.398 -35.075 43.277 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -1.820 -35.432 42.805 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -0.314 -31.858 42.897 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 0.307 -32.593 43.074 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -0.142 -31.618 41.962 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -1.465 -19.616 22.204 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -2.420 -19.598 21.985 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -1.434 -19.412 23.156 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -14.389 -12.183 17.908 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -14.259 -12.492 18.812 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -14.951 -11.409 17.998 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -2.647 -16.008 24.092 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -3.080 -16.411 23.306 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -2.812 -15.044 23.982 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -12.069 -15.202 19.588 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -12.351 -14.906 18.697 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -11.127 -14.932 19.640 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -4.082 -19.300 21.550 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -4.572 -19.516 20.728 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -4.075 -18.317 21.572 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -12.599 -19.211 18.142 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -13.299 -19.514 17.557 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -11.842 -19.788 17.928 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -6.190 -17.276 18.447 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -7.103 -17.174 18.778 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -5.914 -18.167 18.778 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -7.919 -14.383 21.971 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -7.516 -15.240 22.248 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -8.744 -14.339 22.465 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -7.514 -20.292 13.969 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -7.042 -19.847 14.701 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.202 -19.650 13.705 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -9.357 -14.914 19.649 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -9.023 -15.796 19.415 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -8.721 -14.585 20.310 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -12.664 -14.162 17.106 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -13.269 -13.403 17.243 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -12.613 -14.253 16.154 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.231 -16.614 21.937 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -5.146 -16.585 22.291 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.272 -16.052 21.131 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -8.898 -20.375 19.469 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -8.332 -21.161 19.563 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -9.433 -20.557 18.659 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.821 -16.709 22.769 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -6.861 -16.997 23.705 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -7.027 -17.528 22.259 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -6.897 -17.935 25.206 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -7.811 -18.144 24.897 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -6.759 -18.545 25.970 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -10.195 -19.793 21.757 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -10.855 -19.123 21.484 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -9.683 -19.965 20.937 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -3.495 -13.439 23.734 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -4.236 -13.456 23.081 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -3.938 -13.254 24.594 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.701 -15.121 19.716 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -3.945 -14.666 19.280 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -5.063 -15.708 19.025 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -5.361 -13.436 21.758 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -6.328 -13.558 21.860 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -5.136 -13.976 20.971 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -2.310 -20.862 16.476 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -2.724 -21.531 15.899 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -3.041 -20.577 17.066 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.913 -18.711 24.870 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.844 -17.755 24.705 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.870 -18.909 24.728 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -4.492 -19.072 24.275 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.481 -19.287 23.319 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -5.420 -18.845 24.459 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -9.077 -18.165 16.426 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -9.150 -17.790 17.326 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -8.153 -18.494 16.378 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -6.471 -18.943 16.209 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.926 -19.639 16.655 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -6.234 -18.123 16.683 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -11.461 -17.813 20.204 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -11.798 -16.888 20.160 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -11.999 -18.293 19.531 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -2.145 -20.034 11.864 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -2.802 -19.875 11.156 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -2.659 -19.947 12.689 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.413 -19.850 27.063 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.544 -19.993 27.469 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.697 -20.745 26.791 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -4.482 -16.153 26.233 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -3.825 -16.252 25.510 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -5.229 -16.711 25.953 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -2.727 -13.931 30.861 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.055 -14.378 30.057 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -1.936 -13.467 30.568 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.172 -15.525 28.599 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.632 -15.791 27.772 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -3.244 -16.308 29.175 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -4.780 -13.379 26.128 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -5.265 -13.037 26.884 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -4.714 -14.341 26.298 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -2.038 -19.043 33.589 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -2.244 -19.918 33.983 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -2.778 -18.470 33.882 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -2.098 -16.979 30.787 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.454 -16.300 30.518 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -2.409 -16.679 31.667 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -6.493 -20.634 33.134 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -6.040 -19.849 33.462 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -6.681 -21.160 33.942 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -4.110 -17.460 34.438 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.426 -17.025 35.233 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -3.726 -16.729 33.901 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -1.633 -20.294 27.168 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -2.511 -20.741 27.148 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.594 -19.806 26.315 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -0.648 -39.277 11.590 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 0.255 -39.535 11.870 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -1.191 -40.068 11.785 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 15.477 -33.166 9.465 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 16.268 -33.709 9.586 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 14.763 -33.696 9.863 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 1.781 -38.551 9.524 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 2.315 -39.362 9.397 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 1.001 -38.854 10.015 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -2.010 -41.563 12.402 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -2.385 -42.421 12.170 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -1.143 -41.787 12.823 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 10.483 -41.545 7.923 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 10.203 -42.176 7.253 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 10.053 -41.868 8.754 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 7.652 -42.370 15.654 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 7.506 -42.276 16.626 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 8.417 -41.798 15.473 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 8.153 -44.618 19.395 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 8.318 -44.954 20.299 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 9.017 -44.660 18.964 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 3.888 -47.221 20.660 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 4.256 -48.138 20.705 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 4.553 -46.724 20.133 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 1.304 -48.289 20.245 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 0.876 -47.617 19.684 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 2.229 -47.984 20.322 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 7.212 -42.213 18.297 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 7.430 -43.042 18.765 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 7.676 -41.518 18.811 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 11.147 -47.913 21.965 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 10.540 -47.160 22.071 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 10.737 -48.448 21.264 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 5.046 -49.644 20.526 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 5.847 -49.483 19.975 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 5.184 -50.521 20.891 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 9.503 -40.599 14.431 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 9.139 -39.706 14.458 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 9.074 -41.010 13.649 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 4.758 -43.201 22.332 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 3.930 -42.877 21.914 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 5.354 -42.424 22.307 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 2.574 -43.271 14.787 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 3.531 -43.239 14.977 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 2.166 -42.764 15.524 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 7.206 -46.839 12.919 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 6.270 -47.060 12.732 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 7.454 -47.440 13.628 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 10.744 -44.885 23.317 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 11.125 -45.526 23.943 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 11.537 -44.392 22.970 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 17.576 -42.509 17.961 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 18.014 -41.777 17.502 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 17.068 -42.962 17.256 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 9.090 -42.587 23.762 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 9.793 -43.240 23.583 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 9.546 -41.723 23.710 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 7.155 -48.990 18.948 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 6.811 -48.508 18.171 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 8.041 -48.600 19.102 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 5.657 -45.768 19.120 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 5.776 -46.372 18.357 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 6.514 -45.294 19.186 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 2.621 -42.205 20.891 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 2.720 -42.952 20.261 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 2.684 -41.406 20.329 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 8.024 -41.623 12.368 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 7.880 -42.596 12.410 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 7.173 -41.243 12.699 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 5.645 -47.597 17.058 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 5.440 -46.975 16.314 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 4.933 -48.246 17.022 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 15.011 -40.418 13.704 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 14.042 -40.455 13.814 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 15.137 -40.157 12.767 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 10.790 -38.735 7.928 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 11.500 -38.968 8.550 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 10.412 -39.596 7.674 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 13.702 -37.962 10.402 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 14.468 -38.467 10.747 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 13.078 -38.656 10.116 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 13.750 -42.461 26.675 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 13.174 -42.951 27.307 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 13.811 -43.048 25.909 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 12.387 -47.111 24.278 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 13.266 -46.718 24.086 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 12.126 -47.535 23.436 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 8.349 -47.014 24.500 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 7.548 -47.544 24.731 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 9.088 -47.515 24.903 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 0.920 -48.659 23.625 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 1.037 -48.704 22.665 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 1.834 -48.578 23.974 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 9.506 -47.609 19.556 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 10.256 -47.146 19.126 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 9.211 -46.990 20.254 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 4.480 -43.561 27.763 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 3.629 -43.919 28.090 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.634 -44.043 26.928 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 7.144 -44.182 12.446 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 6.634 -44.039 13.266 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 7.361 -45.144 12.467 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 7.035 -42.454 27.533 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 7.239 -42.973 26.743 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 6.105 -42.690 27.741 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 3.172 -44.563 19.592 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 4.072 -44.782 19.280 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 2.911 -45.333 20.111 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 4.937 -42.866 11.189 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 5.106 -42.122 11.811 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 5.726 -43.434 11.278 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 7.921 -44.432 25.501 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 8.252 -43.766 24.856 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 8.147 -45.297 25.089 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 17.054 -40.958 15.419 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 16.341 -40.636 14.817 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 17.850 -40.937 14.872 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 5.460 -43.325 14.501 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 6.231 -43.118 15.090 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 5.345 -42.500 13.972 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 12.922 -42.118 11.696 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 12.991 -43.036 12.023 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 12.648 -41.606 12.484 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 16.807 -35.487 10.640 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 15.838 -35.367 10.724 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 16.909 -36.416 10.396 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 12.249 -40.969 14.112 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 12.453 -41.651 14.786 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 11.294 -40.779 14.247 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 3.401 -40.836 9.885 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 3.685 -41.759 10.034 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 4.240 -40.327 9.893 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 4.902 -46.004 15.031 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 5.040 -45.053 14.849 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 4.678 -46.384 14.161 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 8.852 -46.036 21.764 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 9.441 -45.449 22.295 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 8.258 -46.434 22.427 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 11.872 -46.353 18.634 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 12.370 -45.539 18.884 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 12.382 -47.077 19.058 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 1.927 -40.108 12.063 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 2.694 -39.694 12.526 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 2.326 -40.494 11.251 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 0.848 -41.981 16.615 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 0.606 -41.673 17.514 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 0.457 -41.311 16.023 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 6.144 -36.905 10.051 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 6.252 -37.878 10.003 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 5.253 -36.787 10.438 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 15.498 -39.911 11.029 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 15.123 -40.673 10.567 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 16.453 -39.928 10.791 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -4.784 -44.957 24.041 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -5.057 -44.329 24.739 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -4.510 -45.754 24.535 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 3.349 -44.779 12.493 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 2.986 -44.299 13.261 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 3.784 -44.084 11.960 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 9.465 -42.477 10.219 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 9.750 -43.284 10.661 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 8.975 -41.986 10.910 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -0.006 -45.762 26.846 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -0.279 -46.582 26.379 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.177 -45.049 26.185 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 4.512 -47.197 12.539 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 4.031 -46.343 12.397 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 4.054 -47.822 11.967 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 3.489 -48.062 24.507 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 3.806 -47.267 24.031 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 3.336 -47.747 25.423 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 4.444 -45.856 23.062 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 4.235 -46.324 22.228 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 4.559 -44.914 22.785 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 10.476 -48.412 25.656 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 10.675 -49.358 25.475 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.254 -47.930 25.287 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 6.210 -48.490 25.262 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 5.359 -48.556 24.793 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 5.981 -48.666 26.194 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 0.528 -42.164 13.210 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 1.070 -41.432 12.854 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 1.163 -42.707 13.714 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -2.114 -34.750 11.207 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -1.886 -35.443 11.865 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -2.594 -34.069 11.733 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 15.707 -43.247 16.118 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 16.155 -42.498 15.664 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 14.757 -43.122 15.904 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 13.031 -43.215 15.517 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 12.816 -44.019 16.034 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 13.058 -43.535 14.590 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 13.018 -45.917 16.032 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 12.496 -46.205 16.805 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 13.939 -46.161 16.261 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 0.543 -44.767 16.620 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 1.142 -44.936 15.882 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 0.549 -43.793 16.712 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 15.386 -46.185 27.256 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 15.312 -45.540 26.532 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 16.291 -46.551 27.158 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 13.379 -47.836 20.380 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 14.098 -47.332 20.773 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 12.706 -47.887 21.085 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 14.548 -45.661 23.467 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 14.918 -45.202 24.249 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 13.965 -44.976 23.043 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -1.070 -47.820 25.386 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -1.827 -47.871 24.775 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -0.318 -48.176 24.862 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -1.251 -49.119 18.833 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -1.033 -48.194 18.604 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -0.460 -49.438 19.294 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 1.679 -38.159 15.199 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 0.862 -38.688 15.299 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 1.717 -37.954 14.262 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 9.604 -36.319 7.439 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 10.450 -35.846 7.470 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 9.856 -37.263 7.550 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 5.832 -39.632 10.514 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 6.529 -40.281 10.680 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 5.404 -39.507 11.399 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 10.845 -42.088 34.945 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 10.063 -41.514 35.081 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 10.488 -42.865 34.463 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 16.346 -42.493 34.621 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 16.247 -42.822 33.713 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 15.438 -42.282 34.892 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 3.019 -41.293 35.416 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.569 -41.135 36.281 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 3.429 -40.424 35.194 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 5.072 -44.593 33.974 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 5.891 -44.062 34.141 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 4.903 -45.032 34.816 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 7.800 -44.348 39.171 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 6.944 -44.533 39.620 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 8.422 -44.165 39.910 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 5.418 -44.300 40.523 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 5.281 -43.991 41.442 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 4.609 -44.037 40.059 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 13.498 -42.611 34.429 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.608 -42.209 34.395 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 13.490 -43.127 35.257 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 15.064 -43.242 32.216 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 14.773 -42.826 31.371 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 14.376 -42.979 32.865 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 14.033 -42.404 39.371 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 13.125 -42.161 39.653 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 13.908 -42.785 38.481 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 9.783 -44.292 33.675 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 10.056 -44.753 32.871 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 9.967 -44.942 34.401 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 9.598 -44.556 27.768 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 9.441 -45.460 28.067 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 9.009 -44.454 26.992 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 14.982 -44.010 41.543 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 14.418 -43.532 40.909 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 15.519 -44.614 40.973 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 10.280 -45.958 35.733 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 10.596 -46.868 35.923 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 10.343 -45.502 36.596 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 7.353 -43.178 34.412 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 7.647 -42.342 34.815 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 8.185 -43.621 34.145 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 10.412 -44.719 38.215 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 10.676 -44.500 39.122 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 9.434 -44.712 38.247 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 9.760 -40.209 38.651 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 9.771 -39.669 37.836 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 8.893 -40.671 38.623 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 7.240 -41.676 44.268 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 7.459 -40.870 43.768 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 6.750 -41.351 45.035 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 14.599 -42.354 29.678 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 15.298 -42.116 29.037 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 13.913 -42.780 29.137 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 5.908 -39.150 43.178 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 6.169 -39.309 42.237 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 5.234 -39.838 43.360 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 4.064 -46.761 30.418 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 3.971 -47.728 30.436 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 3.150 -46.429 30.538 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 3.398 -42.921 38.869 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 2.650 -42.378 38.529 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 4.083 -42.263 39.083 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -1.312 -40.967 35.379 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -0.896 -40.774 36.249 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -0.687 -41.598 34.953 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 18.539 -40.364 44.793 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 18.352 -40.338 43.840 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 19.346 -40.903 44.862 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 7.117 -39.528 40.775 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 7.972 -39.084 40.614 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 7.090 -40.246 40.109 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.087 -43.241 43.066 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 5.971 -42.990 43.386 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.543 -42.440 43.226 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 12.274 -43.881 28.462 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 11.338 -43.944 28.179 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 12.412 -44.694 28.998 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 6.728 -47.778 31.435 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 5.972 -48.358 31.209 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 6.641 -47.633 32.382 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 9.599 -48.327 28.194 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 9.947 -48.234 27.275 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 9.493 -49.276 28.309 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 5.409 -48.552 27.956 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 4.632 -48.009 27.682 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 6.084 -47.887 28.217 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 1.616 -42.186 44.888 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 1.533 -42.662 45.720 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 1.809 -42.894 44.224 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 16.113 -41.456 40.993 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 16.044 -42.276 41.510 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 15.424 -41.554 40.306 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.112 -51.049 25.153 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 10.843 -51.469 24.328 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.686 -51.697 25.575 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 9.704 -43.573 40.949 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 9.657 -43.454 41.919 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 10.338 -42.886 40.656 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 12.263 -46.315 29.810 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 11.780 -47.094 29.513 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 13.189 -46.624 29.898 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 4.877 -41.748 33.038 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 4.315 -42.159 33.707 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 5.309 -40.999 33.516 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 12.183 -39.571 41.667 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 12.962 -39.086 41.961 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 11.776 -39.900 42.504 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 18.221 -40.037 42.019 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 17.828 -39.174 42.277 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 17.472 -40.529 41.610 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 12.562 -43.260 36.997 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 11.952 -42.693 36.490 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 11.978 -43.919 37.415 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 2.143 -44.904 28.346 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 1.888 -45.116 29.268 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 1.335 -45.098 27.820 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 8.488 -40.594 35.232 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 7.621 -40.217 34.946 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 8.930 -39.851 35.689 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 7.385 -41.554 38.812 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 7.512 -42.520 38.907 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 6.772 -41.469 38.048 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 11.500 -41.657 40.095 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 11.796 -40.929 40.688 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.895 -41.211 39.456 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 3.558 -46.842 26.983 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 4.151 -46.200 26.531 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 3.001 -46.282 27.562 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 3.630 -37.507 43.409 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 4.525 -37.887 43.486 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 3.218 -38.019 42.682 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 10.855 -40.532 43.805 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 10.052 -39.968 43.857 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 10.506 -41.442 43.774 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 5.196 -45.165 25.621 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 4.954 -45.350 24.687 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 6.147 -44.943 25.579 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 9.519 -43.037 43.689 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 8.639 -42.644 43.892 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 9.627 -43.730 44.350 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 4.702 -49.493 30.411 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 4.339 -50.385 30.363 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 5.001 -49.304 29.490 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 7.398 -46.945 28.935 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 8.210 -47.424 28.650 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 7.267 -47.230 29.871 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 11.261 -48.322 36.683 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.206 -48.497 36.743 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 10.884 -48.781 37.439 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 17.527 -48.467 29.778 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 17.810 -47.961 30.569 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 18.013 -49.299 29.845 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 16.146 -45.649 31.692 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 15.538 -46.113 31.075 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.627 -44.867 31.998 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 14.937 -47.126 29.726 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 14.975 -46.741 28.815 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 15.681 -47.757 29.746 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 0.279 -43.306 38.143 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 -0.644 -43.252 38.449 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 0.523 -42.372 37.961 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 3.789 -40.915 43.674 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 3.011 -41.229 44.181 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 3.397 -40.426 42.917 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 4.194 -40.191 39.047 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 3.315 -40.308 38.618 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 4.832 -40.350 38.328 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 8.660 -38.947 43.436 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 7.697 -38.784 43.443 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 8.952 -38.625 42.555 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 5.521 -41.297 36.813 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 5.764 -40.707 36.059 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 4.786 -41.828 36.466 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 17.328 -37.549 42.799 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 16.980 -37.403 43.698 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 17.129 -36.706 42.327 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 10.534 -33.296 46.489 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 11.162 -32.679 46.053 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 10.867 -34.187 46.248 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 15.773 -37.060 45.150 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 15.426 -37.957 45.048 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 15.965 -36.987 46.118 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 11.237 -35.820 45.630 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 12.041 -35.833 45.051 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 10.585 -36.335 45.140 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 13.473 -35.808 44.140 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 14.307 -36.123 44.526 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 13.750 -35.357 43.305 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 3.718 -34.478 46.718 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 4.610 -34.683 47.081 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 3.310 -35.364 46.572 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 7.871 -33.697 45.719 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 7.405 -34.153 46.451 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 8.775 -33.544 46.067 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 -2.011 -38.150 44.173 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 -1.305 -38.830 44.092 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 -1.578 -37.315 43.866 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.962 -27.178 3.894 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.503 -28.007 4.175 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.896 -27.332 4.133 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 13.556 -24.077 0.969 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 13.039 -24.864 1.245 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 12.926 -23.332 1.085 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 9.483 -20.101 -0.649 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 9.254 -20.550 -1.468 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 9.200 -20.729 0.055 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 6.590 -25.955 3.142 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 7.458 -26.344 3.391 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 6.226 -26.580 2.506 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 5.955 -24.975 5.623 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 5.982 -25.275 4.690 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 5.022 -25.096 5.888 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 4.821 -22.128 3.823 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 4.054 -22.626 4.158 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 4.931 -21.412 4.467 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 14.876 -18.457 2.815 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 15.455 -19.174 2.461 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 13.965 -18.734 2.559 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.480 -22.348 1.445 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.400 -21.819 2.260 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.565 -22.408 1.114 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 11.899 -27.423 4.218 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 12.746 -27.185 4.645 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 11.614 -28.239 4.695 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 9.207 -28.169 8.375 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 10.054 -28.396 7.961 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 9.457 -27.815 9.248 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 6.531 -23.398 2.049 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 5.873 -22.934 2.610 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 6.570 -24.299 2.423 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 10.874 -20.600 3.540 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 11.275 -20.553 4.432 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 9.912 -20.643 3.712 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 -1.193 -29.283 6.202 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 -1.684 -29.490 7.021 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 -1.642 -29.796 5.519 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 6.722 -21.480 6.998 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 7.395 -22.032 6.565 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 7.057 -21.365 7.913 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 14.529 -27.381 5.377 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 15.052 -27.811 4.694 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 14.440 -28.071 6.079 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 2.819 -23.155 5.578 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 1.866 -23.080 5.703 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 3.021 -24.086 5.823 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 7.687 -30.325 9.205 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 8.057 -29.560 8.713 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 7.421 -30.953 8.510 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 2.910 -32.007 6.066 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 2.282 -31.279 5.858 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 2.344 -32.819 6.070 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 7.682 -29.451 4.782 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 8.225 -30.096 5.270 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 6.767 -29.777 4.893 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 3.262 -25.769 6.268 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 3.426 -26.691 5.980 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 2.664 -25.868 7.042 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 11.823 -26.013 1.883 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 11.235 -26.566 1.359 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 11.925 -26.504 2.729 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 1.289 -34.110 6.495 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 1.436 -34.953 6.968 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 0.343 -33.912 6.655 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 3.987 -28.448 5.899 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 4.801 -28.080 6.316 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.271 -29.317 5.562 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 9.775 -24.505 3.420 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 9.489 -25.432 3.516 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 10.562 -24.558 2.853 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 8.698 -21.921 1.221 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 8.650 -21.487 2.093 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 7.967 -22.581 1.247 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 7.949 -23.084 4.989 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 7.263 -23.713 5.297 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 8.551 -23.633 4.442 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 2.839 -33.145 12.157 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 3.255 -33.316 13.031 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 2.817 -34.015 11.734 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 5.334 -30.903 5.483 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 4.447 -31.327 5.508 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 5.891 -31.493 6.019 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 4.175 -20.835 6.345 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 3.712 -21.687 6.225 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 5.071 -21.090 6.675 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 -0.933 -27.419 8.972 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 -1.310 -27.257 9.863 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 -1.350 -28.253 8.686 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 4.941 -30.014 9.811 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 4.751 -30.844 9.332 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 5.915 -29.978 9.848 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 1.381 -29.843 5.487 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 0.555 -29.481 5.886 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 2.066 -29.187 5.720 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 4.106 -32.283 8.514 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 3.816 -33.163 8.858 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 3.645 -32.202 7.645 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 3.117 -34.625 9.561 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 3.505 -35.379 10.042 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 2.396 -35.028 9.032 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.358 -27.461 6.778 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 6.408 -26.529 6.493 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 7.277 -27.764 6.765 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 10.338 -30.691 9.972 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 9.374 -30.620 9.804 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 10.563 -31.589 9.675 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 11.928 -29.195 8.284 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.530 -29.735 9.001 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.276 -28.394 8.747 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 6.682 -32.432 7.521 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 6.978 -33.343 7.754 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 5.778 -32.376 7.900 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 9.004 -31.324 6.482 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 8.142 -31.741 6.674 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 9.648 -31.882 6.969 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 10.185 -33.224 8.174 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.988 -33.782 8.258 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 9.454 -33.853 8.259 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 12.403 -40.356 9.614 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 12.560 -40.982 10.357 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 11.875 -40.876 8.974 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 7.463 -34.994 8.380 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 6.896 -35.653 8.834 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 8.145 -35.544 7.920 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 16.198 -24.683 0.915 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 15.231 -24.487 0.972 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 16.236 -25.610 0.669 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 13.070 -26.984 9.300 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 14.015 -27.254 9.414 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 13.114 -26.207 8.704 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 14.475 -29.375 7.163 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 15.050 -29.824 7.817 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 13.579 -29.453 7.542 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -0.393 -31.731 8.663 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 -0.742 -32.508 8.172 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -1.115 -31.074 8.614 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 14.002 -35.249 10.626 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 13.437 -34.929 11.376 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 13.838 -36.225 10.604 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 15.803 -30.457 9.351 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 16.287 -30.357 10.204 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 15.637 -31.426 9.285 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 15.759 -22.064 -0.039 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 14.836 -22.325 0.106 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 16.261 -22.887 0.115 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 -3.914 -24.384 7.381 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 -4.117 -25.303 7.189 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 -2.993 -24.409 7.734 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 8.067 -20.741 3.635 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 8.060 -21.525 4.244 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 7.149 -20.675 3.334 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 12.319 -18.868 2.002 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 11.814 -19.609 2.406 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 11.790 -18.617 1.219 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 19.723 -22.597 0.797 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 20.464 -22.413 1.412 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 19.003 -22.910 1.381 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 1.206 -36.161 8.337 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 0.242 -36.125 8.514 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 1.475 -37.051 8.658 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 3.597 -37.062 11.106 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 3.887 -37.695 11.805 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 2.922 -37.558 10.602 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 12.020 -35.285 8.588 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 12.762 -35.004 9.156 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 12.006 -36.248 8.683 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 1.167 -24.706 13.366 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 0.389 -24.924 13.888 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 1.859 -24.533 14.033 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 8.139 -35.220 11.112 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.495 -35.947 11.028 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 8.109 -34.781 10.250 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 1.527 -26.263 8.379 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 1.437 -25.524 8.998 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 0.674 -26.746 8.460 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 2.578 -28.877 8.737 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 3.542 -28.838 8.861 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 2.328 -27.966 8.498 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 3.843 -16.995 13.114 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 3.289 -17.683 13.538 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 3.920 -16.301 13.796 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 -1.447 -24.783 8.423 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 -1.040 -24.466 9.250 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 -1.280 -25.746 8.432 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 0.297 -19.687 16.187 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 -0.650 -19.865 16.046 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 0.522 -20.222 16.965 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 -0.273 -21.921 18.010 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 -1.028 -21.682 17.440 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 -0.296 -21.248 18.730 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 10.976 -29.458 5.744 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 10.298 -30.149 5.865 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 11.448 -29.435 6.602 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 12.401 -34.483 12.655 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 12.712 -34.391 13.570 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 11.424 -34.548 12.749 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 -1.929 -37.066 12.649 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 -1.423 -37.796 12.232 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 -2.133 -37.401 13.550 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -0.050 -24.337 10.833 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 0.506 -24.439 11.636 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 -0.157 -23.358 10.739 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 7.725 -21.571 9.592 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 8.464 -22.100 9.258 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 7.338 -22.121 10.303 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 5.035 -15.896 10.719 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 4.837 -16.275 9.846 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 4.406 -16.339 11.325 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 2.560 -32.663 38.971 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 2.080 -32.376 38.174 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.224 -33.564 39.137 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 4.139 -27.903 34.743 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 3.847 -28.568 35.411 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 3.650 -28.141 33.946 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 3.289 -27.625 38.738 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 2.312 -27.577 38.720 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 3.506 -27.695 39.680 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 -1.140 -25.569 38.826 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 -1.923 -25.883 39.324 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 -0.525 -26.328 38.855 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 6.667 -25.483 39.953 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.000 -24.559 39.944 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.075 -25.512 40.733 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 3.531 -27.399 42.997 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 3.966 -26.612 42.600 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 2.596 -27.282 42.798 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 -3.088 -27.344 39.746 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 -2.977 -28.317 39.826 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 -3.587 -27.232 38.912 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 1.513 -23.621 33.173 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 1.653 -24.571 33.089 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 0.709 -23.547 33.738 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 16.411 -22.641 41.175 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 15.489 -22.504 41.461 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 16.561 -23.597 41.311 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 9.147 -21.929 42.062 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 8.568 -21.535 42.724 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 9.655 -22.609 42.564 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 3.125 -21.392 32.911 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 2.562 -22.132 33.227 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 3.517 -21.726 32.101 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 13.060 -18.123 38.935 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 12.300 -17.712 39.352 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 13.150 -18.983 39.394 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 3.150 -29.501 36.670 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 2.339 -30.026 36.841 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 3.273 -28.980 37.483 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 0.451 -27.854 38.745 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 0.052 -28.653 38.343 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 0.575 -28.102 39.690 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 5.693 -31.430 41.422 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 5.953 -30.576 41.838 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 6.421 -31.615 40.788 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 11.982 -24.853 41.558 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 11.337 -24.445 42.174 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 12.157 -25.722 41.943 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 13.512 -27.382 31.302 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.228 -27.291 31.941 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 13.906 -27.068 30.457 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 7.235 -22.810 40.160 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 7.003 -22.061 39.564 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 7.963 -22.462 40.712 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 10.702 -21.478 39.819 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 10.220 -21.533 40.673 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 11.503 -20.958 40.027 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 15.929 -18.181 34.558 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 15.713 -17.281 34.887 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 16.851 -18.106 34.238 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 10.568 -23.691 43.606 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 11.385 -23.473 44.105 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 10.328 -24.589 43.917 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 6.702 -29.159 42.513 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 6.413 -28.664 41.711 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 6.349 -28.626 43.264 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -1.488 -29.371 42.835 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -0.669 -28.958 42.528 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -1.221 -30.282 43.071 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 5.957 -28.148 40.065 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 6.312 -27.248 39.899 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 5.477 -28.366 39.256 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 12.480 -36.084 48.092 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 13.333 -36.469 47.872 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 12.026 -35.994 47.228 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 3.114 -30.654 40.765 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 4.006 -30.928 41.055 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 2.843 -31.357 40.135 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 -2.457 -21.638 34.244 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 -2.776 -21.872 33.339 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 -1.719 -22.260 34.406 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 15.226 -19.008 37.406 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 15.224 -18.728 36.473 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 14.467 -18.530 37.803 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 13.703 -22.616 41.863 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 13.301 -23.467 41.599 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 13.583 -22.590 42.834 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 14.731 -25.170 39.157 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 14.055 -24.480 39.016 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 14.267 -26.003 38.934 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 0.716 -30.728 37.065 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 0.262 -30.347 36.282 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 0.189 -31.521 37.282 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 -0.520 -30.947 40.333 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 -1.448 -30.627 40.297 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 -0.468 -31.602 39.604 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 19.330 -34.699 45.606 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 19.687 -33.787 45.740 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 18.489 -34.558 45.110 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 16.961 -34.682 44.289 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 16.462 -35.445 44.632 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 16.743 -34.664 43.332 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 4.568 -22.888 40.979 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 4.067 -22.535 40.238 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 5.502 -22.785 40.708 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 6.119 -20.958 38.480 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 5.502 -21.346 37.833 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 6.210 -20.027 38.185 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 10.243 -22.957 37.591 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.240 -22.275 38.299 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 10.994 -23.534 37.828 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 12.338 -23.750 39.123 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 12.149 -24.275 39.933 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 12.007 -22.859 39.337 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 -0.556 -23.502 34.923 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 0.061 -23.532 35.684 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 -1.321 -24.043 35.223 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 4.474 -26.055 36.734 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 4.425 -26.659 35.957 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 4.082 -26.576 37.465 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 7.212 -25.847 37.236 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 7.163 -25.697 38.196 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 6.281 -25.859 36.950 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 2.803 -36.894 45.942 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.084 -37.055 45.013 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 2.165 -37.589 46.117 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.410 -32.447 42.717 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 13.742 -33.345 42.454 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 14.119 -31.840 42.421 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 13.373 -20.633 39.985 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 13.585 -21.272 40.703 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 14.104 -20.733 39.356 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 4.830 -29.188 49.496 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 4.414 -29.113 50.357 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 5.294 -30.050 49.525 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 10.931 -31.091 42.934 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 11.138 -31.084 43.889 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 11.653 -31.621 42.545 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 10.214 -28.201 50.151 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.732 -27.484 49.681 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.283 -27.883 51.055 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 11.696 -25.500 46.464 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 12.346 -24.827 46.729 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 12.213 -26.130 45.910 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 12.426 -31.679 45.196 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 12.907 -32.102 44.450 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 13.073 -31.065 45.576 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 16.560 -23.116 47.166 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 15.677 -22.872 46.855 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 17.143 -22.386 46.840 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 7.560 -33.862 49.756 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 7.718 -34.712 50.215 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 8.464 -33.492 49.617 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 6.242 -34.905 47.593 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 6.605 -34.439 48.378 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 6.334 -35.861 47.821 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 4.865 -29.196 46.741 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 4.570 -30.129 46.756 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 4.817 -28.918 47.678 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 8.889 -26.044 49.075 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 8.217 -25.408 49.333 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 8.867 -26.030 48.093 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 9.983 -32.790 49.105 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 10.201 -32.870 48.148 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 10.508 -32.007 49.406 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 11.441 -30.602 49.759 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 12.360 -30.331 49.930 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 10.926 -29.771 49.860 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 9.005 -25.708 46.330 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 9.960 -25.530 46.499 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 9.003 -26.169 45.479 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 14.056 -29.436 50.022 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 13.775 -29.066 49.155 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 14.529 -28.696 50.452 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 13.589 -23.673 47.342 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 13.340 -23.116 48.088 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 13.900 -24.511 47.761 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 14.799 -25.201 44.227 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 15.623 -25.343 44.742 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 14.247 -25.983 44.436 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 14.153 -25.997 48.692 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 13.713 -26.755 48.240 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 14.361 -26.347 49.586 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 5.058 -25.262 42.227 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 5.653 -25.123 42.998 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 4.795 -24.351 41.958 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 10.616 -35.325 49.969 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 11.339 -35.640 49.381 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 10.537 -34.373 49.759 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 8.281 -36.398 50.667 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 9.177 -36.105 50.354 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 8.428 -36.660 51.581 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 4.317 -31.847 47.210 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 4.935 -31.805 47.967 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 3.968 -32.759 47.235 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 1.006 -28.920 41.174 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 1.887 -29.353 41.213 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 0.399 -29.650 40.910 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 6.815 -25.268 44.443 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 7.349 -25.100 45.235 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 6.449 -26.169 44.586 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 13.133 -23.162 44.595 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.775 -23.879 44.365 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 13.198 -23.092 45.566 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 5.687 -27.754 44.626 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 4.818 -27.671 44.170 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 5.480 -28.276 45.441 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 10.440 -26.507 43.878 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 11.334 -26.763 44.223 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 10.042 -27.342 43.612 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 6.279 -31.504 49.227 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 7.051 -31.066 48.843 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 6.635 -32.351 49.578 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 8.174 -31.407 43.129 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 7.817 -30.499 43.039 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 9.141 -31.298 43.004 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 15.352 -27.081 50.937 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 16.153 -26.546 50.820 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 15.414 -27.409 51.868 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 15.591 -28.211 53.411 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 15.097 -29.062 53.467 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 16.108 -28.188 54.219 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 16.919 -28.421 45.864 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 17.074 -28.079 46.760 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 15.940 -28.569 45.824 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 13.058 -28.296 47.770 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 12.115 -28.368 47.572 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 13.503 -28.453 46.894 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 20.732 -32.421 45.997 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 21.083 -31.543 45.739 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 21.531 -32.943 46.212 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 22.912 -34.143 46.297 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 23.366 -34.518 47.091 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 22.528 -34.927 45.857 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 3.605 -33.028 44.424 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 3.440 -32.121 44.728 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 3.533 -33.571 45.246 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 6.585 -37.331 48.722 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 6.130 -38.077 49.118 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 7.234 -37.054 49.405 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 11.410 -8.229 1.138 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 10.810 -9.012 1.067 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 11.140 -7.660 0.408 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 15.956 -12.795 3.164 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 16.692 -12.305 2.779 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 15.888 -13.599 2.608 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 14.959 -17.165 0.296 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 14.666 -17.463 1.175 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 15.241 -17.995 -0.155 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 8.577 -17.954 3.447 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 8.422 -18.919 3.392 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 8.131 -17.692 4.279 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 12.956 -9.104 4.723 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 12.209 -9.432 5.262 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 13.210 -9.880 4.165 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.291 -8.942 1.288 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 15.364 -9.150 1.054 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 16.224 -8.117 1.816 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 14.298 -5.166 4.432 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 13.989 -4.868 5.314 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 13.542 -5.675 4.074 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 10.588 -17.629 6.613 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 11.488 -17.332 6.357 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 10.646 -18.600 6.589 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 9.694 -10.313 0.864 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 9.410 -10.804 1.649 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 9.425 -10.883 0.114 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 10.999 -13.966 -1.286 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 11.041 -14.925 -1.341 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 11.925 -13.676 -1.432 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 11.112 -16.830 3.479 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 11.675 -17.498 3.042 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 10.240 -17.270 3.558 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 16.216 -2.548 10.981 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 15.440 -3.141 10.910 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 16.317 -2.400 11.946 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 9.023 -12.124 -1.159 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 8.630 -12.062 -2.037 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 9.799 -12.725 -1.283 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 8.441 -13.399 1.177 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 8.443 -14.366 1.006 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 8.490 -12.996 0.281 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 13.700 -9.706 0.514 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 13.306 -10.578 0.718 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 13.008 -9.066 0.778 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 9.357 -10.388 3.691 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 9.541 -9.549 3.250 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 9.798 -10.300 4.563 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 8.532 -13.695 7.035 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 8.461 -14.005 6.108 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 7.602 -13.725 7.368 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.461 -5.147 4.876 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.137 -5.690 4.404 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 9.725 -5.098 4.255 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 15.426 -9.151 7.741 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 14.566 -8.687 7.816 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 15.683 -9.018 6.807 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 13.684 -11.240 3.249 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 13.304 -11.610 2.424 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 14.568 -11.657 3.307 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 12.189 -6.797 3.522 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 12.020 -7.177 2.636 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 12.491 -7.569 4.056 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 10.606 -7.251 6.811 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 10.481 -6.449 6.277 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 10.825 -6.912 7.706 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 12.788 -12.347 0.968 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 12.125 -12.980 1.323 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 13.039 -12.729 0.099 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.109 -4.418 10.777 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.575 -5.161 11.131 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 13.451 -3.761 10.504 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 7.618 -8.849 10.147 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 7.994 -8.778 9.265 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 7.724 -9.799 10.377 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.713 -7.035 8.009 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 12.874 -6.895 8.495 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 13.791 -6.243 7.445 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 10.934 -14.109 2.062 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 10.126 -13.623 1.804 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 10.721 -15.039 1.866 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 10.653 -9.880 6.101 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 10.131 -10.321 6.807 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 10.659 -8.926 6.370 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 5.385 -13.088 5.070 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 4.600 -13.005 4.522 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.109 -12.729 4.511 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.531 -14.685 4.441 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 8.017 -13.900 4.140 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 8.924 -15.035 3.628 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 7.463 -12.369 3.489 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 8.020 -11.569 3.615 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 7.670 -12.664 2.574 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 5.889 -13.787 7.641 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.661 -14.746 7.659 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 5.575 -13.482 6.756 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 7.967 -16.878 5.969 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 8.129 -16.053 5.467 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 8.857 -17.156 6.268 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 5.618 -16.487 7.693 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 4.894 -17.101 7.427 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 6.379 -16.768 7.148 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 10.472 -15.299 8.200 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 10.383 -16.155 7.737 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 9.749 -14.750 7.831 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 11.323 -3.393 9.409 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 11.988 -2.677 9.525 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 11.075 -3.333 8.461 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 19.622 -7.842 3.646 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 20.598 -7.835 3.669 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 19.400 -8.775 3.448 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 16.035 -6.706 2.929 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 15.366 -6.083 3.280 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 16.885 -6.238 3.055 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 15.993 -16.209 3.924 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.530 -17.034 3.667 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 16.140 -15.748 3.078 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.371 -14.715 -3.665 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 14.595 -14.855 -4.589 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.372 -15.622 -3.277 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 13.653 -4.377 6.997 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 12.774 -3.943 6.973 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 14.168 -3.835 7.609 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 9.033 -16.135 1.327 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.693 -16.779 1.982 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.605 -16.675 0.739 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 14.362 -17.130 -2.424 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 14.708 -18.038 -2.456 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 14.481 -16.867 -1.492 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 10.763 -17.797 -0.106 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 11.443 -17.791 -0.791 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 10.222 -18.602 -0.311 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 3.659 -18.238 6.926 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 2.711 -18.338 7.037 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 3.968 -19.142 6.684 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 12.195 -11.784 13.448 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 13.137 -11.639 13.309 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 12.159 -12.580 14.028 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 11.326 -11.573 19.595 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 10.495 -11.155 19.283 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 11.108 -11.902 20.478 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 -0.166 -12.183 20.337 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 -0.901 -11.967 20.957 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 0.495 -11.486 20.499 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 14.450 -15.065 17.950 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 14.405 -15.755 17.282 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 13.792 -14.404 17.658 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 4.121 -15.638 15.649 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 3.382 -15.726 16.262 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 4.633 -16.472 15.770 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 12.150 -14.126 14.905 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 11.256 -14.529 15.027 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 12.724 -14.888 14.683 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 0.928 -14.696 20.148 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 0.349 -13.912 20.247 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 1.832 -14.317 20.147 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 5.395 -12.340 19.168 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 6.286 -12.356 19.572 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 5.526 -12.736 18.274 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 9.996 -8.659 15.235 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.484 -8.019 14.683 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 10.176 -8.176 16.048 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 9.794 -15.418 15.208 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 9.121 -15.148 14.549 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 9.285 -15.880 15.898 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 11.076 -6.202 19.870 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 10.533 -6.935 20.190 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 11.846 -6.632 19.476 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 12.095 -2.176 13.257 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 11.931 -2.327 14.191 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.613 -2.902 12.808 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 16.339 -5.797 21.401 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 16.921 -6.467 21.822 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 15.751 -5.516 22.109 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 6.771 -7.018 11.895 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 5.897 -7.368 12.101 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 7.127 -7.647 11.213 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 11.776 -11.986 8.602 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 10.883 -11.587 8.593 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 11.767 -12.579 9.379 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 15.780 -12.104 13.157 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 15.584 -12.553 12.306 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 15.770 -12.818 13.808 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 3.108 -13.080 20.519 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 3.989 -12.943 20.105 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 2.764 -12.183 20.643 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 16.015 -4.858 18.869 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 16.613 -4.085 18.831 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 16.083 -5.168 19.800 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 11.799 -8.832 13.107 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 11.903 -9.785 12.953 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 11.217 -8.782 13.891 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 1.955 -10.256 20.627 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 1.705 -9.326 20.659 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 2.471 -10.339 19.786 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.732 -3.429 19.439 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 10.970 -2.815 19.389 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.329 -4.300 19.623 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 17.965 -7.715 22.580 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 18.933 -7.775 22.412 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 17.638 -8.633 22.445 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 13.486 -1.771 9.627 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 14.231 -1.466 9.078 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 13.609 -1.300 10.480 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 13.908 -0.509 12.097 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 13.215 -1.052 12.544 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 14.447 -0.157 12.837 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 11.754 -14.174 10.330 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 12.338 -14.874 10.712 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 11.223 -14.650 9.650 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 2.101 -13.058 23.298 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 2.280 -13.523 22.466 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 1.353 -13.548 23.690 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 5.350 -13.201 16.568 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 4.980 -14.007 16.160 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 6.018 -12.889 15.921 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 12.716 -12.896 17.374 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 11.963 -12.566 17.899 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 12.320 -13.162 16.519 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 8.640 -10.854 16.456 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 8.096 -11.399 15.852 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 9.144 -10.266 15.861 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 0.066 -14.787 24.327 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 0.608 -15.407 23.787 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 -0.817 -15.195 24.337 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 7.654 -16.201 11.278 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 6.706 -16.000 11.106 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 8.017 -16.386 10.405 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 0.144 -17.141 19.290 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 -0.363 -16.965 18.494 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 0.427 -16.252 19.596 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 7.746 -12.090 20.807 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.579 -12.074 21.306 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 7.051 -12.178 21.507 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 3.418 -10.609 18.396 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 4.165 -11.174 18.696 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 3.392 -10.742 17.443 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 7.104 -12.357 14.629 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 6.706 -11.891 13.885 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 7.517 -13.154 14.219 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 6.118 -13.364 10.309 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 5.973 -13.375 9.337 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 5.664 -14.170 10.624 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 8.942 -10.294 19.118 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 8.742 -10.474 18.167 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 8.305 -10.860 19.607 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 5.096 -18.169 15.718 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 4.269 -18.623 15.475 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 5.696 -18.338 14.961 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 9.981 -11.340 22.465 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.475 -11.707 23.234 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 9.246 -10.828 22.876 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 17.274 -16.733 11.126 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 17.845 -17.268 11.722 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 16.368 -17.009 11.358 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 8.696 -6.735 13.843 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 8.909 -5.817 13.627 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 7.982 -6.967 13.217 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 -2.410 -11.844 21.812 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 -2.597 -12.424 22.585 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 -3.119 -11.192 21.832 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 5.526 -9.200 23.857 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 5.334 -9.322 24.811 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 4.823 -9.714 23.406 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 10.923 -7.621 23.359 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.165 -6.708 23.169 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 10.708 -8.001 22.480 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 12.707 -9.044 19.615 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 11.967 -8.874 20.221 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 12.579 -9.967 19.342 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 10.333 -8.962 21.051 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 10.281 -9.767 21.610 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 9.761 -9.177 20.276 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 10.105 -12.731 11.938 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 10.708 -13.267 11.376 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.712 -12.248 12.541 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 8.105 -4.613 11.946 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 7.641 -5.470 11.820 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 7.470 -3.955 11.643 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 8.100 -11.509 10.496 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 7.364 -12.168 10.495 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 8.784 -11.914 11.073 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 6.364 -18.194 13.305 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 5.531 -17.749 13.054 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 7.009 -17.873 12.658 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 14.980 -12.383 18.784 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 15.178 -13.331 18.872 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 14.114 -12.366 18.321 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 17.231 -2.309 19.079 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 17.893 -1.781 19.573 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 16.376 -1.926 19.342 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 11.429 -6.162 9.232 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 11.272 -5.203 9.340 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 11.692 -6.462 10.129 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 12.423 -6.471 11.787 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 11.801 -5.841 12.199 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 12.257 -7.321 12.262 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 16.651 -10.127 22.172 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 15.996 -10.344 21.500 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 16.460 -10.750 22.899 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 5.345 -9.786 26.538 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 5.509 -9.070 27.160 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 4.845 -10.454 27.071 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.600 -10.851 22.833 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 3.094 -11.619 23.190 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.030 -10.504 22.122 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.227 -11.225 8.025 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 8.910 -12.057 7.609 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.762 -11.201 8.892 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 8.232 -9.531 23.539 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 7.263 -9.354 23.444 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 8.621 -8.654 23.661 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 6.034 -12.252 22.860 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 5.166 -11.805 22.824 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 6.284 -12.213 23.800 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 4.145 -11.468 28.292 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 4.521 -11.680 29.175 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 3.443 -12.119 28.176 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 17.266 -1.844 16.353 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 17.331 -2.204 17.263 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 16.687 -1.061 16.449 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 21.158 -3.305 20.716 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 21.544 -3.874 21.421 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 20.486 -2.787 21.171 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 12.428 -9.438 24.794 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 11.762 -10.142 24.809 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 11.964 -8.680 24.374 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 14.367 1.736 21.482 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 14.172 2.676 21.397 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.090 1.516 22.378 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 16.588 -10.270 15.240 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.266 -10.856 14.535 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 17.459 -9.968 14.924 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.254 -16.629 14.071 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.422 -17.008 13.770 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 13.936 -17.192 13.659 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 1.167 -14.912 26.986 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 1.461 -15.758 26.578 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 0.794 -14.412 26.235 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 -0.573 -19.794 19.654 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 -0.253 -18.876 19.540 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 -0.871 -19.825 20.591 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 -2.508 -13.462 19.390 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 -2.788 -13.082 20.239 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 -1.618 -13.099 19.254 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 15.209 0.178 19.375 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 14.827 0.663 20.144 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 14.714 -0.675 19.359 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 18.942 -0.547 20.510 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 18.786 -0.409 21.450 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 19.833 -0.147 20.352 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 2.515 -18.897 14.743 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.716 -18.981 15.316 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 2.538 -19.728 14.255 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 8.270 -14.336 13.187 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 8.053 -15.021 12.515 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 8.939 -13.768 12.743 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 10.786 -4.213 11.971 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 9.817 -4.354 12.053 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 10.899 -3.872 11.058 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 14.270 -2.411 19.172 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 13.328 -2.667 19.315 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 14.690 -3.231 18.863 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 4.130 -17.071 35.766 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 3.426 -17.052 36.422 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 3.691 -16.784 34.935 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.152 -19.360 30.932 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 13.034 -19.137 31.310 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.988 -20.256 31.234 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 9.208 -15.291 34.475 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.268 -15.365 34.753 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 9.610 -16.107 34.791 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 4.940 -21.535 36.017 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 4.410 -20.921 35.494 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 4.321 -22.282 36.218 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 7.226 -11.415 25.296 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 6.542 -10.871 25.746 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 7.665 -10.789 24.688 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 8.230 -13.786 30.844 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 9.023 -13.989 31.383 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 7.558 -13.510 31.504 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 9.777 -13.124 28.691 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 9.079 -13.405 29.324 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 10.422 -12.652 29.248 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 3.327 -23.559 36.659 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 2.408 -23.820 36.882 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 3.835 -24.400 36.717 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 11.660 -12.450 30.632 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 11.291 -13.157 31.212 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 11.864 -11.731 31.240 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 6.421 -15.686 30.092 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 7.046 -14.937 30.216 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 5.965 -15.477 29.247 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 10.510 -14.375 32.260 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 10.074 -14.511 33.136 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 10.779 -15.280 31.990 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 -2.768 -15.546 33.072 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 -1.826 -15.453 33.347 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 -2.913 -14.792 32.460 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 3.035 -14.280 28.984 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 3.878 -14.512 28.529 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 2.350 -14.412 28.294 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 6.578 -15.784 35.045 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 5.887 -16.122 35.640 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 6.318 -16.126 34.163 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 -0.063 -15.369 33.359 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 0.591 -15.845 33.892 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 0.429 -15.107 32.563 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 6.296 -13.711 32.838 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 6.042 -14.655 32.809 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 6.428 -13.531 33.780 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 4.706 -12.645 30.696 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 5.195 -12.998 31.463 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 4.132 -13.376 30.418 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 4.006 -18.727 32.692 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 4.512 -18.944 31.876 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 3.538 -19.561 32.909 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 7.489 -13.462 27.102 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 7.432 -12.774 26.404 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 8.349 -13.296 27.530 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 5.647 -16.436 32.580 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.998 -17.165 32.576 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 5.858 -16.296 31.628 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 8.480 -19.722 32.056 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 8.721 -20.417 31.423 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 8.501 -18.899 31.528 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 -0.476 -15.207 29.207 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 -1.369 -15.219 28.804 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 0.128 -15.090 28.442 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 0.800 -24.494 37.110 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 0.636 -25.334 36.624 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 0.211 -24.554 37.886 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 5.329 -14.954 27.702 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.367 -15.546 26.920 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.036 -14.284 27.526 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 15.097 -9.588 25.374 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 14.168 -9.421 25.091 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 15.348 -10.399 24.900 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 16.092 -8.492 30.038 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 15.528 -8.802 29.291 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 15.463 -8.225 30.713 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 14.015 -13.187 29.317 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 13.163 -12.916 29.712 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 13.884 -13.073 28.355 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 14.424 -9.258 27.998 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 14.866 -9.378 27.129 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 13.505 -9.092 27.771 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 14.814 -15.815 35.368 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 14.596 -14.963 35.751 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 14.152 -15.936 34.656 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 1.632 -15.391 31.064 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 2.284 -14.974 30.461 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 0.830 -15.480 30.513 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 6.111 -18.822 36.739 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 6.411 -19.220 35.899 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 5.425 -18.186 36.467 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 13.294 -16.414 33.114 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 13.701 -17.269 32.862 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 12.370 -16.494 32.808 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 14.516 -18.699 32.150 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 15.087 -18.312 31.440 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 15.106 -18.756 32.931 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 2.616 -16.477 33.464 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 2.936 -17.353 33.168 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.357 -16.024 32.634 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 6.551 -19.776 34.088 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 7.337 -19.790 33.496 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.924 -19.199 33.633 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 10.879 -17.046 31.784 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 9.969 -17.147 31.433 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 11.341 -17.857 31.478 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 8.523 -17.426 30.394 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 8.766 -17.384 29.449 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 7.701 -16.896 30.450 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 18.554 -1.525 10.032 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 17.717 -1.911 10.383 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 18.549 -1.770 9.090 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 18.406 -5.414 3.586 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 18.872 -6.284 3.633 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 18.985 -4.865 3.046 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 11.156 -3.204 6.694 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 10.827 -3.886 6.064 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 10.953 -2.366 6.262 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 16.879 -2.071 13.601 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 17.002 -2.302 14.548 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 16.449 -1.192 13.628 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 15.927 0.586 16.725 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 16.659 1.157 17.005 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 15.438 0.406 17.555 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 17.742 0.763 11.302 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 18.080 -0.025 10.831 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 16.880 0.939 10.881 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 9.889 -1.354 19.212 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 9.120 -1.016 19.680 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 10.130 -0.645 18.606 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 17.668 1.366 18.972 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 18.202 0.663 19.398 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 16.741 1.103 19.160 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 15.180 0.946 10.191 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 14.717 1.791 10.224 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 14.755 0.412 10.904 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 18.205 -39.995 10.584 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 18.452 -40.561 11.348 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 19.043 -39.635 10.279 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 17.035 -45.221 22.436 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 17.585 -45.470 23.200 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 16.130 -45.507 22.690 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 15.767 -45.945 16.586 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 16.656 -46.136 16.950 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 15.724 -44.965 16.565 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 23.964 -37.781 18.177 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 24.472 -37.329 18.881 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 23.105 -37.327 18.175 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 25.514 -42.057 21.453 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 24.748 -42.413 21.957 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 25.528 -41.103 21.687 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 22.085 -44.186 20.326 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 22.695 -43.616 20.828 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 22.655 -44.606 19.649 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 13.152 -44.569 13.127 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 12.879 -45.290 13.718 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 13.937 -44.931 12.656 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 22.088 -49.772 9.873 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 22.861 -49.382 10.282 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 22.432 -50.512 9.368 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 20.783 -45.281 18.033 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 21.723 -45.377 17.809 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 20.792 -44.822 18.890 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 28.193 -41.377 21.059 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 28.418 -41.245 21.998 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 27.328 -41.824 21.084 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 18.133 -42.745 22.682 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 17.568 -42.011 22.335 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 17.563 -43.535 22.618 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 21.879 -34.981 16.233 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 21.773 -35.527 17.035 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 21.006 -35.046 15.778 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 25.289 -40.633 12.190 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 25.970 -41.263 11.948 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 25.621 -39.773 11.841 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 18.317 -45.055 25.213 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 19.088 -44.474 25.368 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 18.433 -45.782 25.854 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 25.678 -39.464 22.309 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 25.327 -39.248 23.210 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 25.754 -38.604 21.874 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 18.499 -46.377 16.949 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 19.266 -45.839 17.259 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 18.666 -47.251 17.312 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 15.765 -44.151 25.438 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 16.716 -44.365 25.280 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.790 -43.412 26.064 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 25.063 -38.967 24.877 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 25.184 -38.074 25.272 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 25.107 -39.572 25.645 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 25.494 -44.487 20.218 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 26.031 -44.971 20.855 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 25.563 -43.551 20.511 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 23.694 -45.234 18.312 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 24.400 -45.029 18.972 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 24.170 -45.311 17.478 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 27.741 -40.727 23.725 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 27.004 -40.310 23.238 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 27.314 -41.465 24.217 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 28.460 -38.314 24.874 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 28.192 -39.211 24.579 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 29.187 -38.073 24.267 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 20.839 -41.187 14.853 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 20.573 -40.404 15.371 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 21.724 -40.952 14.497 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 17.214 -45.856 14.249 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 18.051 -46.148 14.645 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 16.559 -45.977 14.968 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 23.040 -40.157 13.584 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 23.847 -40.415 13.075 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 23.383 -39.541 14.278 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 17.320 -43.260 13.226 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 17.414 -44.138 13.645 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 16.433 -43.274 12.847 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 25.173 -40.492 27.121 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 24.833 -40.515 28.043 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 24.725 -41.247 26.685 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 23.183 -42.827 22.631 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 22.392 -43.393 22.724 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 22.981 -42.048 23.182 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 26.372 -42.643 25.129 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 25.398 -42.695 25.208 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 26.689 -42.793 26.024 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 17.962 -47.071 27.334 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 17.796 -47.679 28.081 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 18.810 -46.630 27.570 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 20.609 -43.898 22.655 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 20.895 -44.190 21.764 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 19.675 -43.617 22.527 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 20.478 -43.127 25.307 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 20.612 -43.534 24.423 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 20.801 -42.220 25.200 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 22.139 -36.906 11.391 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 21.677 -37.732 11.653 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 22.331 -37.029 10.457 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 15.463 -45.651 12.142 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.862 -46.091 11.386 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 16.096 -45.813 12.876 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 16.287 -44.125 19.940 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 17.056 -43.820 19.426 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 16.677 -44.525 20.744 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 13.580 -44.435 19.504 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 14.551 -44.507 19.604 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 13.319 -43.776 20.191 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 25.335 -36.675 26.243 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 25.632 -35.753 26.322 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 24.921 -36.867 27.107 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 24.823 -36.284 20.380 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 24.087 -35.645 20.473 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 25.123 -36.434 21.299 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 30.361 -37.535 22.927 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 31.038 -38.202 22.774 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 30.007 -37.341 22.030 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 19.203 -41.383 12.733 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 19.802 -41.471 13.513 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 18.553 -42.117 12.847 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 18.452 -44.167 38.443 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 18.807 -44.029 37.538 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 19.246 -44.155 39.020 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 19.682 -49.432 32.300 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 19.364 -49.922 33.062 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 19.162 -48.597 32.316 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 27.090 -37.958 36.078 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 26.347 -37.840 35.451 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 27.400 -38.873 35.911 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 23.509 -41.040 34.934 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 22.821 -40.759 34.287 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 23.324 -41.984 35.085 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 27.533 -40.614 35.480 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 26.977 -40.502 34.672 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 28.153 -41.313 35.246 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 22.628 -45.207 40.527 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 23.015 -44.611 41.206 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 21.685 -44.947 40.497 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 23.325 -43.292 42.328 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 23.132 -42.411 41.956 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 23.393 -43.137 43.288 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 23.239 -42.082 31.743 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 23.641 -42.571 32.500 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 22.704 -41.368 32.175 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 18.762 -43.106 35.944 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 18.643 -42.320 36.509 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 17.979 -43.099 35.364 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 24.257 -43.526 36.348 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 24.651 -42.798 36.865 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 24.090 -44.233 37.015 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 23.800 -45.518 38.122 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 23.513 -46.420 37.981 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 23.465 -45.298 39.024 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.467 -42.749 45.046 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 23.281 -43.277 45.859 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 24.356 -42.408 45.187 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 20.072 -44.193 40.682 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 19.472 -44.737 41.236 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 20.204 -43.375 41.206 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 25.288 -41.050 37.083 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 26.165 -40.882 36.686 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 24.656 -40.849 36.361 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 22.268 -38.960 45.383 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 21.507 -39.558 45.313 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 21.866 -38.061 45.437 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 21.750 -47.643 31.881 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 21.187 -48.434 32.010 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 21.168 -47.009 31.429 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 18.424 -45.756 42.238 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 18.834 -46.490 42.704 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 17.689 -45.474 42.832 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 24.847 -38.817 31.315 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 25.382 -39.346 31.936 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 24.005 -38.641 31.811 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 27.605 -35.667 24.565 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 27.754 -36.599 24.840 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 28.496 -35.350 24.305 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 25.668 -40.042 33.627 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 25.386 -39.146 33.923 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 24.932 -40.626 33.910 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 20.318 -41.813 42.047 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 21.136 -41.398 41.695 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 19.627 -41.128 41.922 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 20.889 -41.816 44.719 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 20.668 -41.978 43.773 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 21.825 -42.105 44.797 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 22.829 -44.563 30.720 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 23.001 -43.661 31.074 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 23.374 -45.152 31.292 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 18.413 -47.074 32.004 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 19.042 -46.394 31.678 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 17.571 -46.577 32.131 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 22.448 -43.996 28.019 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 22.085 -43.091 28.147 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 22.754 -44.261 28.912 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 16.232 -45.111 43.719 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 15.739 -44.675 42.986 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 15.591 -45.171 44.430 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 17.918 -43.797 30.648 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 17.436 -42.999 30.904 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 17.332 -44.529 30.938 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 24.158 -43.719 33.662 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 24.222 -43.787 34.643 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 24.140 -44.647 33.357 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 24.698 -40.077 39.558 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 25.101 -39.220 39.298 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 24.840 -40.649 38.771 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 20.464 -40.045 30.445 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 21.100 -40.064 31.199 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 19.651 -40.401 30.818 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 20.210 -45.375 30.788 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 19.602 -44.601 30.802 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 21.111 -44.978 30.838 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 23.950 -40.650 29.539 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 23.776 -41.269 30.284 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 24.282 -39.836 29.982 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 20.127 -45.588 27.997 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 20.184 -45.626 28.970 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 20.957 -45.143 27.727 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 23.672 -38.376 47.686 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 23.659 -39.218 48.144 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 23.267 -38.570 46.815 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 27.309 -38.615 27.601 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 27.739 -38.535 26.729 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 26.615 -39.288 27.464 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 21.599 -41.459 28.382 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 22.498 -41.117 28.573 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 21.033 -41.015 29.046 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 23.733 -42.534 25.940 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 22.991 -42.144 25.457 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 23.313 -43.194 26.534 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 23.999 -46.242 32.482 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 24.602 -46.832 32.942 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 23.218 -46.812 32.270 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 16.683 -45.442 40.055 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 17.366 -45.681 40.709 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 17.191 -45.038 39.317 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 20.286 -42.908 47.172 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 19.351 -42.772 47.352 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 20.420 -42.508 46.287 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 22.767 -40.721 41.372 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 22.959 -39.935 41.926 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 23.402 -40.643 40.624 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 26.182 -37.974 38.688 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 26.577 -38.007 37.790 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 26.942 -37.797 39.279 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 22.837 -43.884 47.449 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 21.907 -43.559 47.442 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 22.839 -44.578 48.112 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 24.491 -21.783 2.438 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 24.656 -20.815 2.451 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 25.360 -22.172 2.554 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 22.914 -21.680 7.376 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.370 -21.626 8.196 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 23.218 -22.594 7.356 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 18.996 -22.034 5.090 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 18.937 -22.597 4.301 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 19.921 -21.715 5.091 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 17.855 -23.341 2.694 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 17.376 -23.873 2.026 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 17.235 -23.311 3.459 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 18.905 -18.689 1.014 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 19.709 -19.218 0.808 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 19.264 -17.838 1.357 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 21.352 -21.638 9.643 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 21.390 -22.174 10.465 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 20.458 -21.833 9.272 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 16.127 -23.046 7.479 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 16.164 -22.992 8.452 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 16.093 -24.018 7.295 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 16.080 -23.485 4.737 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 16.334 -23.190 5.631 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 15.643 -24.334 4.887 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 20.305 -19.638 -2.728 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 21.026 -19.523 -3.352 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 20.477 -20.516 -2.323 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 24.002 -19.140 7.091 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 23.782 -20.092 7.144 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 23.834 -18.811 7.985 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 21.454 -23.150 11.989 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 22.064 -23.860 12.221 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.578 -23.475 12.313 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 16.099 -25.661 6.914 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 16.569 -26.234 7.545 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 15.435 -26.249 6.501 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.900 -22.292 8.560 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.589 -22.336 7.640 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 18.102 -22.454 9.089 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 22.817 -31.436 11.759 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 22.782 -32.410 11.700 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 23.012 -31.262 12.689 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 15.600 -19.412 -1.155 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 16.517 -19.187 -1.430 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 15.637 -20.371 -0.963 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 16.683 -20.223 1.794 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 16.459 -20.918 1.137 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 17.439 -19.745 1.391 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 15.640 -27.695 9.547 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 16.537 -27.402 9.291 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 15.691 -28.676 9.515 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.061 -20.104 9.315 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 15.300 -19.958 9.940 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 16.381 -20.995 9.544 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 21.790 -21.798 2.420 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 21.655 -21.592 3.368 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 22.759 -21.975 2.352 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 21.556 -20.942 5.060 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 22.007 -21.210 5.889 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 21.980 -20.088 4.826 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 20.996 -21.954 -1.491 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 21.506 -22.735 -1.735 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 20.407 -22.269 -0.760 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 24.818 -19.029 2.465 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 25.616 -18.565 2.188 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.095 -18.597 1.942 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 21.004 -39.375 11.998 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 21.836 -39.646 12.458 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 20.407 -40.141 12.123 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 25.910 -27.286 19.990 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 26.248 -26.879 19.163 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 24.980 -27.452 19.808 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 30.184 -27.193 21.361 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 30.778 -27.806 21.798 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 29.327 -27.685 21.312 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 27.666 -23.935 18.866 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 27.242 -24.649 18.333 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 28.538 -24.322 19.127 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.120 -20.904 20.408 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.387 -21.848 20.534 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 24.164 -20.898 20.644 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 22.616 -28.322 22.302 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 22.517 -27.368 22.307 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 21.956 -28.634 22.960 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 29.214 -34.636 21.314 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 29.212 -35.468 20.800 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 28.623 -34.050 20.827 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 25.356 -34.023 16.926 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 25.466 -34.139 17.876 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 24.919 -33.169 16.839 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 22.588 -23.595 19.657 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 23.524 -23.821 19.595 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 22.176 -24.066 18.896 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 29.861 -20.335 17.900 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 28.965 -20.675 18.117 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 30.456 -20.910 18.392 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 27.683 -26.585 15.160 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.969 -26.894 14.590 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 28.484 -26.768 14.661 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 22.221 -30.151 14.481 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 21.634 -29.838 15.185 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 22.305 -31.119 14.648 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 25.708 -23.522 20.695 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 25.663 -24.304 21.255 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 26.432 -23.724 20.059 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.079 -22.136 26.890 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.509 -21.907 27.648 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 20.433 -23.010 27.119 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 20.898 -27.222 15.244 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.819 -26.373 15.737 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 20.119 -27.235 14.675 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 18.840 -21.747 29.489 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 18.603 -20.812 29.608 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 18.857 -22.107 30.404 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.498 -21.445 24.213 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 22.961 -22.292 24.415 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 21.732 -21.448 24.806 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 26.283 -18.987 17.134 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 26.824 -19.771 17.359 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 26.549 -18.765 16.219 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 30.145 -17.065 13.692 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 31.023 -16.664 13.664 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 30.078 -17.437 14.600 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 25.242 -36.332 23.087 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 26.019 -36.363 23.678 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 24.517 -36.017 23.666 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 29.487 -32.162 23.712 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 29.706 -31.726 24.538 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 29.775 -33.085 23.842 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 22.559 -32.837 14.622 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 22.627 -33.318 13.772 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 22.323 -33.532 15.268 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 23.029 -30.616 26.763 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 23.278 -30.100 25.969 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 23.711 -31.323 26.811 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 18.754 -34.150 12.420 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 18.204 -34.237 11.626 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 18.924 -33.182 12.492 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 27.960 -28.717 21.250 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 27.175 -28.313 20.827 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 27.709 -29.657 21.380 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 23.810 -38.412 15.486 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 23.918 -38.458 16.457 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 24.072 -37.497 15.263 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 19.103 -31.469 12.671 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 18.361 -30.983 12.247 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 19.870 -30.877 12.551 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 29.578 -37.166 20.272 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 28.809 -37.780 20.147 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 30.106 -37.289 19.475 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 20.984 -29.472 12.089 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 21.341 -29.404 12.995 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 21.595 -30.097 11.642 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 24.242 -35.745 15.109 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 23.363 -35.473 15.450 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 24.876 -35.243 15.668 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 23.507 -27.710 14.679 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.577 -27.418 14.810 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 23.426 -28.654 14.464 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 23.671 -23.834 25.083 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 23.670 -24.788 24.899 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 23.876 -23.777 26.041 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 23.986 -26.069 16.841 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 23.094 -25.687 17.021 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 23.852 -26.625 16.046 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 22.494 -21.226 21.190 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 22.317 -22.098 20.766 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 22.344 -21.388 22.142 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 29.960 -25.227 19.491 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 30.630 -25.580 18.902 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 29.975 -25.838 20.265 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 24.326 -18.729 12.601 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 24.324 -18.480 11.669 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 23.635 -19.429 12.663 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 19.337 -24.408 13.159 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 19.680 -24.434 14.087 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 18.813 -25.239 13.074 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 26.304 -33.711 22.820 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 25.724 -34.425 22.512 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 26.910 -34.151 23.442 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 26.540 -26.033 17.603 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 25.597 -26.013 17.301 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 27.043 -26.268 16.793 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 24.541 -36.435 12.478 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 24.444 -36.314 13.450 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 23.629 -36.627 12.168 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 27.651 -31.468 21.774 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 27.023 -32.166 22.032 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 28.406 -31.591 22.388 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 26.194 -38.228 11.309 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 26.944 -37.682 11.066 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 25.575 -37.602 11.752 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 19.544 -35.186 14.901 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 19.641 -36.105 14.560 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.253 -34.675 14.115 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 22.268 -20.565 12.675 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 22.080 -21.495 12.436 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.498 -20.297 13.210 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 17.328 -31.180 14.849 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 17.138 -30.230 14.676 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 18.037 -31.393 14.224 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 22.089 -16.704 30.003 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.203 -16.527 29.647 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.180 -17.675 29.940 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 26.398 -18.312 14.379 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 25.616 -18.390 13.783 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 27.109 -18.794 13.903 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 19.114 -27.819 10.986 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.691 -27.418 11.791 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.861 -28.350 11.350 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 23.387 -26.494 27.420 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 23.682 -26.673 26.505 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 23.568 -25.543 27.547 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 17.252 -29.832 11.556 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 17.850 -29.183 11.141 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 17.029 -29.419 12.435 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 18.106 -26.861 8.691 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 18.844 -26.806 8.076 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 18.516 -27.195 9.529 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 24.240 -26.825 24.833 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 25.024 -26.725 24.280 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 24.042 -27.790 24.793 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 24.070 -29.546 24.350 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 24.304 -30.502 24.296 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 23.677 -29.349 23.476 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 24.933 -36.081 31.106 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 25.452 -35.908 30.303 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 24.956 -37.057 31.197 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 26.651 -34.355 26.898 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 26.901 -34.907 27.671 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 27.187 -34.713 26.162 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 24.454 -32.233 24.238 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 25.209 -32.556 23.707 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 24.041 -33.040 24.571 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 27.010 -36.206 28.957 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 27.658 -36.350 29.653 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 26.973 -37.070 28.482 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.698 -16.719 9.974 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.265 -16.337 10.763 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 23.249 -17.582 9.849 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 22.007 -19.283 19.133 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 22.163 -19.975 19.808 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 22.766 -19.361 18.526 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 29.455 -18.526 15.926 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 29.104 -19.123 15.243 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 29.711 -19.131 16.664 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 26.072 -20.047 22.931 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 26.996 -20.309 22.960 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.789 -20.263 22.023 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 27.717 -39.027 19.766 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 27.912 -39.878 20.224 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 26.918 -39.210 19.258 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 19.875 -37.723 13.927 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.297 -38.268 13.236 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 19.960 -38.260 14.741 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 22.851 -34.201 12.192 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.732 -34.618 12.198 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 22.250 -34.925 11.937 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 26.145 -14.389 7.037 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 26.961 -14.905 7.016 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 25.656 -14.681 6.248 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 18.485 -18.598 12.702 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 17.598 -18.857 12.988 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 19.078 -18.987 13.378 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 30.108 -34.877 23.804 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 30.488 -35.774 23.764 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 29.885 -34.672 22.861 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 24.144 -25.362 33.601 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 23.582 -24.608 33.372 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.396 -25.743 32.738 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 20.298 -26.131 35.980 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 19.501 -25.906 35.474 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 20.708 -26.855 35.467 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 22.267 -32.035 39.016 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 21.903 -32.795 39.506 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 22.612 -31.441 39.723 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 24.347 -27.079 39.504 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 23.711 -27.251 38.802 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 23.834 -26.588 40.173 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 21.175 -26.948 38.485 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 20.954 -26.592 37.594 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 21.154 -27.931 38.363 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.499 -35.324 36.781 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 27.539 -36.254 36.477 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 28.410 -35.141 37.110 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 21.005 -26.301 32.870 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 20.653 -26.633 32.009 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 21.243 -27.110 33.357 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.552 -25.063 29.761 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.493 -25.260 29.767 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 25.165 -25.727 30.370 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 20.396 -30.558 33.169 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 19.512 -30.112 33.265 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 20.255 -31.446 33.533 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.984 -29.632 38.111 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.260 -29.871 37.492 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 21.385 -30.490 38.351 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 22.150 -26.063 40.904 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 21.717 -25.197 41.055 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 21.771 -26.374 40.054 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.062 -23.839 27.834 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 24.706 -24.182 28.496 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 23.510 -23.215 28.343 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 20.526 -23.766 40.956 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 20.746 -23.428 41.859 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 20.002 -23.038 40.551 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 16.718 -25.405 41.038 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 17.474 -25.387 40.413 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 15.925 -25.338 40.455 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 18.583 -25.396 33.696 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 19.488 -25.625 33.394 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 18.015 -26.103 33.296 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 19.079 -25.774 39.782 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 19.763 -26.201 39.226 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 19.544 -25.002 40.181 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 27.890 -37.291 40.809 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 27.305 -37.933 41.273 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 27.591 -36.418 41.136 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.710 -32.547 27.653 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 24.251 -33.228 28.182 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 25.498 -33.012 27.298 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 23.785 -28.054 34.125 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 24.046 -27.115 34.239 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 22.958 -28.135 34.637 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.446 -32.446 41.392 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 27.122 -33.370 41.473 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.385 -32.510 41.576 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 24.968 -35.105 35.561 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.522 -34.409 36.097 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 25.905 -35.055 35.844 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 23.943 -32.893 36.933 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 23.355 -32.690 37.691 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 23.956 -32.078 36.422 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 25.903 -28.792 40.978 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 25.517 -28.100 40.396 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.986 -29.572 40.396 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 22.778 -27.977 29.549 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 23.049 -27.500 28.722 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 21.864 -27.694 29.695 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 24.103 -32.833 31.175 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 24.047 -33.302 32.030 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.964 -33.538 30.510 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 24.503 -27.039 31.422 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 24.417 -27.646 32.178 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 23.891 -27.412 30.746 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.113 -28.470 34.782 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 20.903 -29.098 34.058 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 20.632 -28.837 35.552 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 21.495 -20.341 34.554 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 20.575 -20.281 34.891 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 21.808 -21.203 34.883 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 23.307 -30.577 41.064 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 24.179 -30.703 40.632 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.495 -29.979 41.806 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 19.601 -27.070 30.675 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 18.866 -27.334 31.290 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 19.159 -26.981 29.805 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 21.868 -23.703 32.910 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 21.741 -23.441 33.848 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 21.618 -24.654 32.890 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 17.695 -20.005 38.021 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 17.993 -19.224 38.498 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 16.759 -19.797 37.785 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 20.374 -24.033 28.984 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 20.047 -24.886 29.300 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 19.667 -23.401 29.227 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 19.298 -23.079 31.853 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 18.811 -23.756 32.348 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.202 -23.118 32.219 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 30.386 -37.101 39.733 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 30.890 -37.743 40.239 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 29.474 -37.170 40.098 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 23.647 -34.718 33.155 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 24.070 -35.302 32.484 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 24.164 -34.877 33.971 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 22.837 -29.731 32.188 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 23.277 -29.284 32.940 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 22.028 -30.120 32.581 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.647 -31.245 39.752 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 26.337 -31.633 40.342 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 25.600 -31.859 39.008 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 24.744 -37.632 34.474 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 24.703 -36.730 34.858 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.966 -37.670 33.863 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 22.420 -22.341 29.607 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 22.564 -22.619 30.523 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 21.668 -22.898 29.304 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.113 -30.010 36.112 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 18.535 -30.708 36.450 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 18.645 -29.679 35.300 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 23.278 -23.746 44.967 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 24.007 -24.341 44.777 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 22.726 -24.237 45.613 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 20.764 -22.261 46.231 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 20.925 -23.200 46.473 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 21.639 -21.857 46.265 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 22.130 -27.860 43.086 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 22.124 -27.230 42.333 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 23.059 -28.184 43.118 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 24.491 -29.129 43.250 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 25.149 -28.939 42.536 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 24.987 -29.646 43.898 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 25.701 -35.300 38.888 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 25.587 -36.267 38.798 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 26.265 -35.058 38.127 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 26.448 -34.976 41.445 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 26.145 -35.005 40.502 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 25.704 -35.333 41.943 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 23.384 -38.490 42.886 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 23.126 -38.709 43.808 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 23.025 -37.590 42.746 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.928 -38.879 41.867 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.692 -39.543 41.195 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.090 -38.719 42.346 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.468 -19.492 29.345 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 22.571 -19.120 28.444 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 22.353 -20.455 29.197 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 21.291 -23.017 35.499 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 21.603 -23.501 36.274 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 20.312 -23.083 35.555 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 21.150 -22.897 43.453 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 20.632 -22.651 44.234 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 22.026 -23.139 43.817 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 18.674 -22.042 39.754 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 18.368 -21.384 39.103 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 17.881 -22.215 40.309 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 30.053 -35.190 37.796 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 30.930 -34.826 37.663 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 30.187 -35.904 38.462 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 18.165 -18.726 30.578 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.306 -18.670 31.541 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 17.336 -18.213 30.427 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.235 -34.351 29.075 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 22.349 -34.298 28.660 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 23.470 -35.302 29.021 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 21.475 -36.317 45.139 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 20.646 -35.817 45.329 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 21.692 -36.080 44.215 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.343 -18.409 27.802 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 17.583 -17.803 27.751 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.456 -18.566 28.759 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 14.442 -30.672 53.643 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 14.568 -31.121 52.774 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 13.829 -31.240 54.113 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 16.698 -25.043 49.117 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 15.808 -25.388 48.904 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 16.777 -24.233 48.568 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 23.217 -26.247 50.649 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 24.099 -26.533 50.388 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 23.326 -25.931 51.553 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 22.122 -35.970 42.459 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.107 -35.159 41.922 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 21.336 -36.481 42.143 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 14.593 -31.827 51.220 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 14.426 -30.983 50.744 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 14.673 -32.481 50.521 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 26.434 -35.479 49.579 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 26.532 -34.884 50.328 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 27.301 -35.878 49.475 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 21.512 -24.866 46.740 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 21.212 -25.610 46.159 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 21.366 -25.207 47.646 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 21.052 -26.440 48.962 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 21.719 -26.215 49.647 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 21.211 -27.373 48.778 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 18.435 -26.701 47.864 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.337 -26.551 48.204 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 17.865 -26.162 48.454 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 24.095 -35.687 48.176 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 24.929 -35.638 48.688 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 23.938 -36.650 48.066 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 17.046 -25.469 45.751 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 16.989 -24.608 46.210 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 17.649 -25.997 46.312 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 20.876 -27.082 45.378 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 20.386 -27.878 45.607 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 21.293 -27.296 44.515 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 21.905 -30.117 45.005 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 22.019 -29.413 44.345 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 22.765 -30.588 45.004 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 24.064 -31.863 45.064 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 24.501 -32.319 44.339 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 23.739 -32.588 45.640 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 16.197 -37.019 47.848 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 16.971 -36.415 47.956 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 16.247 -37.601 48.611 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 18.486 -35.565 48.054 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 18.689 -35.211 47.161 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 19.348 -35.634 48.479 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 18.243 -21.268 46.147 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 18.384 -20.529 45.550 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 19.143 -21.653 46.269 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 19.911 -10.591 3.319 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 19.988 -11.452 3.780 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 19.394 -10.797 2.513 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 22.905 -9.710 1.122 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.492 -9.336 0.457 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 22.123 -10.016 0.611 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 18.542 -14.764 0.163 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 18.570 -15.183 -0.733 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 18.231 -13.856 -0.011 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 16.721 -12.626 -0.030 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 16.183 -12.065 -0.632 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 16.110 -13.330 0.246 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.065 -16.871 5.231 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 21.227 -16.119 4.641 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 21.741 -17.536 4.961 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 25.505 -7.463 6.637 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.050 -7.177 5.898 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.586 -7.371 6.309 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 20.095 -16.341 1.820 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 20.716 -15.751 2.297 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 19.577 -15.731 1.248 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 22.161 -8.901 3.665 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.600 -9.097 2.810 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 21.508 -9.624 3.765 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 21.256 -19.952 0.455 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 21.227 -20.525 -0.335 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 21.495 -20.565 1.184 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 22.232 -12.505 1.399 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 21.683 -12.208 0.654 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 22.789 -11.737 1.601 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 22.883 -7.274 5.763 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.678 -6.409 5.336 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 22.670 -7.939 5.065 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.444 -4.780 4.716 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 21.923 -4.220 5.306 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 22.954 -4.157 4.185 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 15.595 -8.404 5.060 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 15.785 -7.880 4.253 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 14.641 -8.624 4.980 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 18.170 -8.063 6.003 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 17.264 -8.181 5.652 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 18.724 -7.962 5.204 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 22.770 -17.798 1.201 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 22.221 -18.499 0.789 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 22.152 -17.069 1.346 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 21.942 -14.668 3.002 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 22.799 -14.642 3.482 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 22.034 -13.965 2.311 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.763 -12.055 6.477 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.373 -12.737 6.821 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.045 -11.241 6.914 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 16.149 -14.990 1.473 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 15.643 -15.665 0.962 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 17.052 -15.022 1.080 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 13.637 -13.212 -1.518 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 14.150 -12.384 -1.626 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 13.907 -13.763 -2.293 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 18.438 -15.886 -2.295 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 18.233 -16.819 -2.067 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 18.601 -15.906 -3.242 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.890 -14.137 4.849 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 23.330 -14.429 5.600 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.198 -13.251 5.113 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 20.779 -10.746 -0.291 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 19.940 -10.742 0.226 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 20.515 -10.451 -1.170 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 22.315 -13.178 10.797 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.033 -13.327 10.152 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 22.338 -13.973 11.367 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 22.035 -11.633 6.390 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 22.972 -11.911 6.405 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 22.039 -10.775 6.856 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 15.697 -0.692 8.067 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 15.639 -0.071 7.332 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 15.690 -0.119 8.867 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.207 -5.126 10.538 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.228 -4.157 10.674 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.016 -5.233 9.575 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 19.629 -7.607 8.241 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 19.150 -7.771 7.392 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 19.046 -7.995 8.921 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 27.221 -10.393 9.483 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 28.030 -9.907 9.782 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 27.548 -11.269 9.252 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.365 -13.002 4.634 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 20.952 -12.529 5.271 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.983 -13.520 4.077 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 23.006 -18.656 4.626 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 23.519 -18.734 5.465 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 23.681 -18.750 3.923 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.824 -9.270 7.810 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 22.749 -8.575 7.128 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 23.648 -9.046 8.290 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 20.685 -18.065 7.804 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 19.757 -18.256 8.066 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 20.622 -17.780 6.874 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 24.230 -14.238 9.058 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 24.220 -15.147 9.440 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.078 -14.189 8.582 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 22.614 -15.116 7.035 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 22.647 -16.079 7.141 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 23.105 -14.771 7.813 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 18.353 -10.741 1.026 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 17.803 -11.449 0.622 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 17.719 -9.993 1.156 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 18.493 -15.030 5.281 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 18.986 -14.229 5.007 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 17.623 -14.932 4.862 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 15.147 -10.908 -1.462 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 15.500 -10.255 -2.077 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 14.651 -10.371 -0.801 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 16.771 -4.257 5.503 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 15.901 -4.513 5.139 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 17.413 -4.628 4.863 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 18.123 -18.513 -1.592 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 18.392 -18.542 -0.647 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 18.886 -18.920 -2.070 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 20.841 -17.654 11.531 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 21.217 -18.347 10.960 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 19.996 -18.034 11.846 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 25.998 -8.412 17.642 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 26.892 -8.313 18.016 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 25.728 -9.305 17.916 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 28.896 -3.444 18.453 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 28.547 -2.892 17.719 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 29.029 -4.330 18.048 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.080 -16.441 20.181 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.715 -17.036 19.734 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.609 -15.999 19.449 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 28.846 -16.024 17.121 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 28.405 -15.768 16.288 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 29.054 -16.970 16.994 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 28.387 -8.348 19.071 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 29.249 -8.812 19.023 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 28.310 -8.095 20.017 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 31.577 -4.335 16.513 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 31.484 -3.433 16.194 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 31.884 -4.231 17.438 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 30.595 -6.675 15.525 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 30.052 -6.360 14.788 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 31.112 -5.881 15.804 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 30.973 -8.806 19.956 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 31.123 -7.838 19.972 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 30.898 -9.052 20.906 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 29.551 -9.348 10.341 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 29.915 -9.583 11.226 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 30.174 -8.704 9.996 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 30.008 -9.316 15.376 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 30.360 -8.400 15.461 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 30.144 -9.707 16.268 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 32.093 -11.361 25.203 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 31.148 -11.141 25.066 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 32.405 -11.636 24.311 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 29.083 -6.073 17.732 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 28.723 -6.912 18.089 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.560 -6.345 16.920 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 28.499 -11.704 15.861 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 29.120 -11.602 16.600 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 28.728 -10.978 15.262 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 35.140 -6.737 25.726 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 35.024 -7.467 25.096 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 34.837 -7.105 26.568 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 24.803 -1.233 16.298 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 23.930 -0.940 15.967 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 24.769 -1.045 17.256 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 27.404 -1.979 16.708 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.828 -1.123 16.950 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.538 -1.715 16.323 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 33.854 -9.201 25.128 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 33.851 -9.023 26.087 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 33.403 -10.065 25.045 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.870 -10.437 21.446 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 22.618 -9.858 21.625 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.212 -10.190 22.119 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 27.322 -21.250 18.411 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 27.427 -22.229 18.466 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.588 -21.057 19.019 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 26.897 -11.980 21.362 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.473 -11.465 20.648 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 27.786 -12.181 21.011 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 22.477 -15.572 12.174 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 22.907 -15.786 13.011 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 21.802 -16.285 12.056 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 26.540 -13.591 15.483 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 27.232 -12.887 15.476 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 26.975 -14.359 15.046 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 27.050 -13.746 18.166 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 27.469 -14.621 18.234 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.745 -13.701 17.235 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 22.431 -19.074 9.585 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.164 -20.005 9.746 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 21.791 -18.754 8.905 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 24.970 -14.024 21.922 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 25.315 -14.096 22.836 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 25.500 -13.307 21.528 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 30.447 -14.583 18.811 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 31.054 -15.236 19.168 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 29.894 -15.089 18.173 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 32.015 -3.307 24.243 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 32.934 -3.632 24.380 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 31.629 -3.947 23.613 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 20.716 -7.654 22.131 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 21.522 -7.566 21.598 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 20.948 -7.235 22.984 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 32.656 -11.433 22.555 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 32.041 -10.674 22.474 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 33.009 -11.547 21.670 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 30.737 -9.832 12.756 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 30.372 -9.635 13.642 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 31.598 -10.219 12.938 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.362 -4.663 13.236 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 22.968 -3.846 12.877 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 23.494 -5.222 12.459 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 32.255 -7.373 23.928 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 32.955 -8.013 24.184 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 32.011 -6.935 24.780 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.361 -10.987 18.809 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 27.274 -10.685 18.712 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.377 -11.906 18.480 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.206 -0.137 15.960 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 21.986 0.658 16.480 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 21.335 -0.560 15.791 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 25.477 -8.168 13.270 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 25.499 -9.039 12.811 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 24.937 -7.603 12.672 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 31.292 -1.462 20.228 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 31.796 -0.832 20.795 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 30.696 -0.897 19.719 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 27.950 -7.557 14.351 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 28.491 -8.296 14.675 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 27.264 -7.983 13.800 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 21.618 -5.750 7.963 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 20.863 -6.367 8.093 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 22.166 -6.186 7.293 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 23.957 -7.064 11.298 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.272 -6.467 10.921 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 24.367 -7.479 10.515 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 26.100 -14.370 24.364 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 25.402 -14.660 24.997 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 26.712 -15.117 24.330 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 27.741 -15.867 14.574 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 28.501 -16.118 14.013 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 27.150 -16.651 14.541 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.949 -2.664 11.867 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 21.108 -2.673 12.372 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 22.027 -1.743 11.559 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 23.832 -13.385 15.333 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 24.816 -13.443 15.325 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 23.559 -14.107 15.908 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 25.530 -16.768 21.861 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.447 -15.829 21.605 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 25.585 -17.244 21.011 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 20.848 -0.129 11.271 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 20.128 -0.739 11.016 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.730 0.630 10.690 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 28.990 -12.383 19.464 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.223 -12.805 19.017 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 29.688 -13.077 19.437 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 32.357 -3.759 19.144 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 33.244 -3.727 19.523 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 31.906 -2.967 19.521 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 23.792 -1.363 23.229 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 24.096 -0.436 23.371 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 23.935 -1.796 24.092 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 17.472 -8.075 25.327 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 17.511 -7.815 24.389 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 16.587 -8.474 25.429 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 21.248 -9.342 10.069 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 21.838 -9.447 9.293 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 20.564 -8.727 9.761 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 25.313 -10.248 11.513 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 24.734 -9.813 10.870 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 26.083 -10.528 10.985 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.165 -8.539 9.131 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 25.950 -9.112 9.268 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 25.384 -8.026 8.317 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 29.494 -10.440 24.771 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 29.338 -10.026 25.652 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 28.700 -11.006 24.626 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 30.886 -9.337 22.658 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 31.326 -8.583 23.113 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 30.306 -9.727 23.349 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 24.024 -19.108 24.488 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 23.505 -19.943 24.450 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 24.875 -19.340 24.048 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 24.138 -15.190 26.042 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.206 -15.821 26.793 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 24.077 -14.316 26.479 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 27.242 -11.865 24.090 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 26.854 -12.728 24.338 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 27.131 -11.826 23.117 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.393 -19.506 26.290 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 19.627 -19.086 26.746 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 20.238 -20.469 26.403 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 22.662 -18.203 26.807 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 23.269 -18.457 26.085 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 21.806 -18.635 26.567 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 19.603 -0.859 15.341 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 19.181 -0.125 14.848 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 18.857 -1.286 15.818 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 34.570 -4.270 24.616 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 35.474 -3.996 24.446 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 34.662 -5.159 25.024 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 31.510 -6.343 26.291 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 31.918 -6.359 27.178 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 30.641 -5.930 26.436 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 30.925 -6.017 19.834 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 31.519 -5.267 19.621 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 30.233 -5.973 19.146 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 30.237 -10.497 17.912 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 30.806 -9.951 18.498 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 29.853 -11.168 18.516 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 31.820 -10.370 27.750 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 31.990 -10.921 26.955 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 32.553 -9.736 27.761 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 21.520 -6.325 24.521 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.595 -5.586 25.167 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 21.112 -7.055 25.041 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 28.711 -2.783 25.291 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 28.897 -3.036 26.214 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 29.231 -1.975 25.161 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 20.938 3.623 20.832 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 20.426 3.678 19.998 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.547 4.296 21.396 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 24.636 2.670 21.050 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.258 3.548 21.176 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 24.107 2.284 20.322 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 26.335 -3.830 19.534 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 27.243 -3.483 19.466 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.847 -3.140 20.014 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 29.248 -3.212 21.116 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 29.174 -3.340 20.145 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 30.011 -2.614 21.213 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 32.611 0.375 21.773 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 33.448 0.842 21.682 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 32.333 0.556 22.677 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 21.193 0.955 20.277 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 22.014 0.994 19.764 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 21.108 1.855 20.657 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 25.091 -18.260 19.503 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 25.530 -18.320 18.625 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 25.094 -19.182 19.832 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 28.642 -19.342 13.204 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 28.915 -19.903 12.469 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.191 -18.535 13.110 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 19.877 -5.169 12.029 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 20.734 -5.163 11.557 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 19.836 -4.291 12.465 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.146 -18.361 8.994 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 17.518 -19.108 9.096 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 17.936 -17.774 9.744 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 18.234 -15.186 26.622 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 19.115 -15.567 26.846 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 17.598 -15.750 27.120 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 17.606 -2.655 7.572 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 16.889 -1.994 7.675 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 17.379 -3.126 6.736 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 31.056 -5.330 22.582 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 31.568 -6.047 23.024 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 31.036 -5.597 21.642 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 15.621 -15.235 31.887 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 14.800 -15.394 32.385 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 15.719 -16.038 31.325 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 21.264 -17.794 33.485 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 21.925 -17.892 32.776 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 21.411 -18.577 34.054 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 30.838 -5.329 30.695 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 30.870 -5.324 31.677 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 30.653 -4.395 30.464 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 18.739 -7.840 29.699 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 17.800 -8.138 29.706 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 18.730 -7.026 30.210 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 26.561 -5.006 28.387 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 26.380 -5.961 28.444 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 27.338 -4.946 27.797 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 24.500 -12.924 27.611 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 24.333 -12.707 28.558 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 25.453 -12.824 27.513 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 23.698 -12.206 30.128 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 22.798 -11.854 29.965 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 23.547 -12.997 30.694 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 26.718 -7.805 29.125 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 26.586 -7.913 28.159 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 26.391 -8.657 29.503 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 30.255 -2.629 30.576 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 30.618 -2.246 31.397 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 29.286 -2.684 30.749 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 21.151 -11.335 29.480 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 21.102 -10.482 28.989 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 20.531 -11.222 30.211 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 32.666 -6.136 28.789 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 33.167 -5.311 28.785 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 31.999 -6.007 29.502 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 30.833 -4.526 33.328 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 31.099 -4.697 34.236 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 30.705 -3.556 33.295 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 22.923 -3.962 30.930 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 23.892 -3.921 31.029 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.696 -4.881 31.179 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 29.835 -2.756 27.883 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 30.094 -2.558 28.810 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 30.382 -2.143 27.343 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 29.370 -9.268 27.253 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 30.170 -9.767 27.535 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 29.395 -8.460 27.797 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 24.429 -16.169 28.578 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 23.536 -16.238 28.964 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.006 -16.543 29.258 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 23.127 -14.558 31.496 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 22.775 -15.288 30.944 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 24.030 -14.861 31.747 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 20.783 -15.985 27.421 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.514 -16.609 27.260 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 21.228 -15.116 27.543 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 18.530 -18.473 33.508 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 19.419 -18.068 33.448 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 18.634 -19.177 34.182 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 18.388 -14.297 31.829 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 17.717 -14.661 32.425 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.245 -14.544 32.249 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 21.782 -13.441 27.746 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 21.481 -12.759 28.379 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 22.724 -13.226 27.596 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 18.907 -20.428 35.519 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 18.678 -21.368 35.377 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.530 -20.223 36.402 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 25.103 -2.797 27.879 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 25.667 -3.587 28.036 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 25.398 -2.155 28.556 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 25.543 -7.186 31.565 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 25.867 -7.344 30.652 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 25.761 -8.004 32.034 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 25.315 -9.864 30.201 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 24.525 -9.351 29.909 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 24.984 -10.781 30.278 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 22.873 -6.612 31.665 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 23.839 -6.789 31.641 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 22.563 -7.089 32.440 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 29.406 -7.048 29.039 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 29.857 -6.619 29.797 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 28.542 -7.333 29.400 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 30.353 -1.794 33.241 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 30.745 -1.007 33.636 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 29.392 -1.705 33.432 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.821 -8.888 28.278 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.064 -8.451 28.737 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.687 -8.664 27.331 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 27.669 -2.691 31.306 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 26.942 -3.356 31.287 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 27.659 -2.354 32.226 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 25.620 -15.624 31.940 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 26.423 -15.700 32.461 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 25.534 -16.496 31.500 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 25.656 -4.480 31.014 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 25.646 -5.387 31.384 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.850 -4.612 30.064 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 15.965 -3.222 33.021 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 16.536 -2.514 33.326 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 16.247 -3.387 32.122 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 29.115 -5.208 27.115 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 29.255 -5.877 27.825 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 29.477 -4.374 27.494 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 23.177 -8.369 29.512 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 22.390 -8.561 28.957 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 22.899 -7.618 30.066 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 33.875 -8.400 27.805 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 34.371 -8.721 28.567 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 33.368 -7.630 28.154 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 27.664 -1.595 33.821 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 26.918 -1.102 33.395 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 27.301 -1.882 34.667 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.168 -8.418 25.581 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 20.210 -9.173 24.962 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 19.206 -8.201 25.628 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 20.756 -15.090 32.961 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 21.601 -14.786 32.576 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 20.939 -16.007 33.250 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 18.520 -23.244 35.489 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 18.385 -23.954 34.822 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 17.922 -23.481 36.211 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 23.094 -19.251 31.975 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 22.679 -19.889 32.578 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 22.754 -19.500 31.086 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 21.634 -3.991 25.956 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.860 -3.777 26.897 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 20.851 -3.461 25.779 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.205 -18.017 30.693 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 24.506 -18.373 31.288 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 25.255 -18.662 29.978 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.601 -0.590 32.396 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 24.657 -0.441 32.523 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 25.709 -0.617 31.424 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 22.418 -3.179 28.377 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 23.354 -2.956 28.207 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 22.398 -3.408 29.332 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 23.890 -2.505 20.829 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 23.853 -2.018 21.692 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 22.960 -2.765 20.665 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 23.468 1.745 18.706 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 22.746 2.047 18.104 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 24.283 1.983 18.234 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 22.452 -4.905 22.436 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 22.142 -5.258 23.299 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 22.831 -5.679 21.988 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 18.526 1.272 13.834 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 18.279 1.156 12.885 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 19.477 1.512 13.803 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 21.427 2.367 16.996 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 20.721 2.764 17.551 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 21.173 2.596 16.089 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.791 1.170 23.376 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.757 1.654 22.525 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 25.113 1.818 24.004 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.373 -4.056 22.933 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 24.968 -3.775 23.791 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.811 -3.628 22.259 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 26.314 -0.989 29.673 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 26.883 -0.442 29.121 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 26.935 -1.587 30.143 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 15.777 0.457 13.976 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 15.628 0.541 14.942 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 16.619 0.930 13.825 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 19.355 3.470 18.547 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 18.745 4.143 18.223 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 18.783 2.678 18.698 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 26.555 1.432 19.183 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.088 0.572 19.206 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 26.251 1.891 19.983 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 21.273 1.310 13.693 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 21.856 0.814 14.295 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 21.292 0.793 12.863 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 19.586 -2.706 13.245 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 19.825 -2.162 14.024 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 18.626 -2.547 13.135 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 24.786 -0.710 19.021 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 24.461 -1.359 19.686 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.108 -0.009 19.020 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 28.463 0.419 17.503 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 28.937 1.154 17.103 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 27.829 0.849 18.120 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 24.244 -3.238 25.292 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 23.331 -3.540 25.488 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 24.624 -3.038 26.177 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 31.148 -1.380 25.898 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 31.899 -0.783 25.909 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 31.435 -2.118 25.301 1.00 0.00 WAT1 END