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: -927.854, 82.5613, 111.084, 46.7278, 563.325, -589.672, -1146.67, 3.95547, 0.831184 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.426607E-03,0.448858,1.11891,42.5266,4.687667E-03,0.301586 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 45, 2 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 15.526 -6.320 8.823 1.00 52.05 ATOM 2 CB MET 1 16.712 -6.884 10.525 1.00 64.11 ATOM 3 HB1 MET 1 16.850 -7.874 10.113 1.00 38.61 ATOM 4 HB2 MET 1 16.568 -6.968 11.593 1.00 32.42 ATOM 5 CG MET 1 17.986 -6.086 10.279 1.00 55.12 ATOM 6 HG1 MET 1 18.079 -5.893 9.221 1.00 38.61 ATOM 7 HG2 MET 1 18.833 -6.669 10.613 1.00 1.03 ATOM 8 SD MET 1 17.988 -4.510 11.156 1.00 33.34 ATOM 9 CE MET 1 17.950 -5.065 12.863 1.00 73.01 ATOM 10 HE1 MET 1 17.073 -5.676 13.025 1.00 65.42 ATOM 11 HE2 MET 1 17.916 -4.206 13.517 1.00 22.12 ATOM 12 HE3 MET 1 18.837 -5.643 13.076 1.00 25.40 ATOM 13 C MET 1 14.209 -7.044 10.350 1.00 53.42 ATOM 14 O MET 1 13.222 -6.454 10.788 1.00 53.53 ATOM 15 N MET 1 15.344 -4.820 10.275 1.00 2.04 ATOM 16 HT1 MET 1 14.501 -4.396 9.831 1.00 38.61 ATOM 17 HT2 MET 1 16.184 -4.296 9.953 1.00 38.61 ATOM 18 HT3 MET 1 15.262 -4.720 11.308 1.00 38.61 ATOM 19 CA MET 1 15.453 -6.260 9.900 1.00 14.32 ATOM 20 N GLY 2 14.258 -8.373 10.231 1.00 55.03 ATOM 21 HN GLY 2 15.053 -8.792 9.838 1.00 38.61 ATOM 22 CA GLY 2 13.147 -9.213 10.678 1.00 35.33 ATOM 23 HA1 GLY 2 12.625 -8.709 11.480 1.00 38.61 ATOM 24 HA2 GLY 2 13.552 -10.139 11.059 1.00 51.53 ATOM 25 C GLY 2 12.150 -9.541 9.568 1.00 2.13 ATOM 26 O GLY 2 10.942 -9.352 9.732 1.00 72.35 ATOM 27 N HIS 3 12.651 -10.042 8.439 1.00 51.23 ATOM 28 HN HIS 3 13.622 -10.171 8.367 1.00 38.61 ATOM 29 CA HIS 3 11.790 -10.418 7.311 1.00 43.02 ATOM 30 HA HIS 3 11.020 -9.663 7.220 1.00 33.33 ATOM 31 CB HIS 3 12.590 -10.461 6.001 1.00 23.12 ATOM 32 HB1 HIS 3 11.963 -10.862 5.218 1.00 38.61 ATOM 33 HB2 HIS 3 13.447 -11.105 6.131 1.00 13.24 ATOM 34 CG HIS 3 13.087 -9.124 5.549 1.00 63.20 ATOM 35 ND1 HIS 3 14.409 -8.869 5.263 1.00 71.43 ATOM 36 HD1 HIS 3 15.143 -9.519 5.324 1.00 32.13 ATOM 37 CD2 HIS 3 12.424 -7.969 5.304 1.00 72.42 ATOM 38 HD2 HIS 3 11.361 -7.802 5.420 1.00 64.14 ATOM 39 CE1 HIS 3 14.539 -7.619 4.866 1.00 4.04 ATOM 40 HE1 HIS 3 15.463 -7.141 4.580 1.00 42.32 ATOM 41 NE2 HIS 3 13.350 -7.050 4.880 1.00 22.04 ATOM 42 HE2 HIS 3 13.131 -6.205 4.426 1.00 38.61 ATOM 43 C HIS 3 11.116 -11.777 7.550 1.00 13.52 ATOM 44 O HIS 3 11.758 -12.826 7.465 1.00 34.03 ATOM 45 N HIS 4 9.818 -11.752 7.849 1.00 14.32 ATOM 46 HN HIS 4 9.364 -10.885 7.920 1.00 38.61 ATOM 47 CA HIS 4 9.052 -12.983 8.064 1.00 60.21 ATOM 48 HA HIS 4 9.655 -13.647 8.669 1.00 2.31 ATOM 49 CB HIS 4 7.741 -12.685 8.808 1.00 53.20 ATOM 50 HB1 HIS 4 7.238 -13.618 9.029 1.00 38.61 ATOM 51 HB2 HIS 4 7.105 -12.081 8.178 1.00 71.24 ATOM 52 CG HIS 4 7.939 -11.951 10.099 1.00 11.13 ATOM 53 ND1 HIS 4 8.323 -12.569 11.269 1.00 3.23 ATOM 54 HD1 HIS 4 8.505 -13.528 11.381 1.00 12.21 ATOM 55 CD2 HIS 4 7.810 -10.636 10.403 1.00 45.10 ATOM 56 HD2 HIS 4 7.522 -9.846 9.723 1.00 0.52 ATOM 57 CE1 HIS 4 8.419 -11.674 12.229 1.00 42.21 ATOM 58 HE1 HIS 4 8.702 -11.874 13.252 1.00 1.13 ATOM 59 NE2 HIS 4 8.114 -10.495 11.733 1.00 12.33 ATOM 60 HE2 HIS 4 7.931 -9.697 12.274 1.00 38.61 ATOM 61 C HIS 4 8.759 -13.673 6.724 1.00 64.21 ATOM 62 O HIS 4 7.674 -13.535 6.157 1.00 43.01 ATOM 63 N HIS 5 9.753 -14.384 6.206 1.00 65.50 ATOM 64 HN HIS 5 10.597 -14.446 6.700 1.00 38.61 ATOM 65 CA HIS 5 9.630 -15.058 4.913 1.00 42.10 ATOM 66 HA HIS 5 9.127 -14.380 4.235 1.00 65.51 ATOM 67 CB HIS 5 11.030 -15.368 4.352 1.00 15.10 ATOM 68 HB1 HIS 5 11.483 -16.154 4.941 1.00 38.61 ATOM 69 HB2 HIS 5 11.641 -14.480 4.421 1.00 44.53 ATOM 70 CG HIS 5 11.029 -15.807 2.919 1.00 30.31 ATOM 71 ND1 HIS 5 11.295 -17.100 2.522 1.00 41.10 ATOM 72 HD1 HIS 5 11.500 -17.853 3.119 1.00 51.45 ATOM 73 CD2 HIS 5 10.809 -15.107 1.780 1.00 54.23 ATOM 74 HD2 HIS 5 10.575 -14.053 1.710 1.00 51.41 ATOM 75 CE1 HIS 5 11.239 -17.176 1.207 1.00 14.13 ATOM 76 HE1 HIS 5 11.406 -18.065 0.618 1.00 72.10 ATOM 77 NE2 HIS 5 10.945 -15.983 0.734 1.00 61.12 ATOM 78 HE2 HIS 5 10.690 -15.795 -0.194 1.00 38.61 ATOM 79 C HIS 5 8.793 -16.345 5.035 1.00 12.53 ATOM 80 O HIS 5 9.301 -17.394 5.434 1.00 5.33 ATOM 81 N HIS 6 7.504 -16.250 4.704 1.00 43.13 ATOM 82 HN HIS 6 7.153 -15.383 4.403 1.00 38.61 ATOM 83 CA HIS 6 6.591 -17.398 4.783 1.00 21.41 ATOM 84 HA HIS 6 6.638 -17.786 5.792 1.00 74.14 ATOM 85 CB HIS 6 5.152 -16.945 4.496 1.00 52.34 ATOM 86 HB1 HIS 6 5.115 -16.494 3.515 1.00 38.61 ATOM 87 HB2 HIS 6 4.861 -16.211 5.232 1.00 74.42 ATOM 88 CG HIS 6 4.143 -18.056 4.534 1.00 73.15 ATOM 89 ND1 HIS 6 3.552 -18.498 5.697 1.00 21.14 ATOM 90 HD1 HIS 6 3.722 -18.143 6.596 1.00 71.41 ATOM 91 CD2 HIS 6 3.621 -18.818 3.541 1.00 71.41 ATOM 92 HD2 HIS 6 3.857 -18.749 2.487 1.00 31.44 ATOM 93 CE1 HIS 6 2.715 -19.476 5.423 1.00 21.44 ATOM 94 HE1 HIS 6 2.109 -20.009 6.142 1.00 1.12 ATOM 95 NE2 HIS 6 2.737 -19.691 4.124 1.00 30.22 ATOM 96 HE2 HIS 6 2.327 -20.462 3.680 1.00 38.61 ATOM 97 C HIS 6 7.002 -18.511 3.807 1.00 1.30 ATOM 98 O HIS 6 6.669 -18.466 2.623 1.00 64.03 ATOM 99 N HIS 7 7.737 -19.498 4.311 1.00 71.32 ATOM 100 HN HIS 7 7.975 -19.474 5.262 1.00 38.61 ATOM 101 CA HIS 7 8.215 -20.610 3.484 1.00 34.10 ATOM 102 HA HIS 7 7.388 -20.955 2.878 1.00 54.24 ATOM 103 CB HIS 7 9.345 -20.124 2.562 1.00 31.12 ATOM 104 HB1 HIS 7 10.217 -19.902 3.161 1.00 38.61 ATOM 105 HB2 HIS 7 9.025 -19.221 2.061 1.00 13.13 ATOM 106 CG HIS 7 9.748 -21.112 1.507 1.00 61.34 ATOM 107 ND1 HIS 7 10.668 -22.113 1.720 1.00 12.43 ATOM 108 HD1 HIS 7 11.134 -22.296 2.563 1.00 63.04 ATOM 109 CD2 HIS 7 9.358 -21.238 0.217 1.00 4.24 ATOM 110 HD2 HIS 7 8.637 -20.618 -0.298 1.00 14.10 ATOM 111 CE1 HIS 7 10.828 -22.808 0.614 1.00 22.33 ATOM 112 HE1 HIS 7 11.488 -23.654 0.490 1.00 13.20 ATOM 113 NE2 HIS 7 10.047 -22.299 -0.316 1.00 0.05 ATOM 114 HE2 HIS 7 10.143 -22.477 -1.277 1.00 38.61 ATOM 115 C HIS 7 8.709 -21.773 4.361 1.00 22.35 ATOM 116 O HIS 7 9.235 -21.559 5.451 1.00 51.13 ATOM 117 N HIS 8 8.536 -23.001 3.882 1.00 73.31 ATOM 118 HN HIS 8 8.099 -23.114 3.009 1.00 38.61 ATOM 119 CA HIS 8 8.989 -24.190 4.614 1.00 40.00 ATOM 120 HA HIS 8 8.755 -24.044 5.660 1.00 21.44 ATOM 121 CB HIS 8 8.246 -25.432 4.108 1.00 15.31 ATOM 122 HB1 HIS 8 8.588 -26.299 4.655 1.00 38.61 ATOM 123 HB2 HIS 8 8.460 -25.569 3.057 1.00 73.10 ATOM 124 CG HIS 8 6.756 -25.341 4.266 1.00 3.42 ATOM 125 ND1 HIS 8 5.945 -24.657 3.385 1.00 41.22 ATOM 126 HD1 HIS 8 6.245 -24.180 2.581 1.00 4.32 ATOM 127 CD2 HIS 8 5.928 -25.847 5.213 1.00 1.30 ATOM 128 HD2 HIS 8 6.219 -26.443 6.068 1.00 70.40 ATOM 129 CE1 HIS 8 4.692 -24.744 3.780 1.00 71.34 ATOM 130 HE1 HIS 8 3.841 -24.301 3.283 1.00 4.24 ATOM 131 NE2 HIS 8 4.652 -25.460 4.884 1.00 75.53 ATOM 132 HE2 HIS 8 3.830 -25.778 5.319 1.00 38.61 ATOM 133 C HIS 8 10.509 -24.375 4.471 1.00 13.25 ATOM 134 O HIS 8 11.081 -24.072 3.424 1.00 54.51 ATOM 135 N SER 9 11.157 -24.871 5.525 1.00 55.44 ATOM 136 HN SER 9 10.640 -25.169 6.302 1.00 38.61 ATOM 137 CA SER 9 12.626 -25.007 5.537 1.00 21.02 ATOM 138 HA SER 9 12.906 -25.607 4.683 1.00 24.24 ATOM 139 CB SER 9 13.294 -23.627 5.408 1.00 34.53 ATOM 140 HB1 SER 9 12.925 -22.973 6.185 1.00 38.61 ATOM 141 HB2 SER 9 13.056 -23.204 4.442 1.00 11.20 ATOM 142 OG SER 9 14.705 -23.719 5.524 1.00 13.42 ATOM 143 HG SER 9 15.116 -23.036 4.979 1.00 10.21 ATOM 144 C SER 9 13.142 -25.700 6.808 1.00 42.32 ATOM 145 O SER 9 14.221 -26.287 6.802 1.00 32.33 ATOM 146 N HIS 10 12.372 -25.613 7.898 1.00 3.30 ATOM 147 HN HIS 10 11.482 -25.213 7.813 1.00 38.61 ATOM 148 CA HIS 10 12.804 -26.106 9.221 1.00 20.11 ATOM 149 HA HIS 10 11.960 -25.976 9.885 1.00 0.44 ATOM 150 CB HIS 10 13.159 -27.604 9.186 1.00 25.31 ATOM 151 HB1 HIS 10 13.783 -27.841 10.036 1.00 38.61 ATOM 152 HB2 HIS 10 13.703 -27.818 8.278 1.00 32.01 ATOM 153 CG HIS 10 11.962 -28.507 9.228 1.00 53.23 ATOM 154 ND1 HIS 10 11.831 -29.634 8.447 1.00 43.31 ATOM 155 HD1 HIS 10 12.486 -29.958 7.794 1.00 0.25 ATOM 156 CD2 HIS 10 10.846 -28.458 9.995 1.00 2.22 ATOM 157 HD2 HIS 10 10.609 -27.705 10.734 1.00 4.31 ATOM 158 CE1 HIS 10 10.692 -30.234 8.728 1.00 42.43 ATOM 159 HE1 HIS 10 10.326 -31.141 8.269 1.00 23.44 ATOM 160 NE2 HIS 10 10.075 -29.545 9.665 1.00 24.41 ATOM 161 HE2 HIS 10 9.330 -29.890 10.210 1.00 38.61 ATOM 162 C HIS 10 13.973 -25.284 9.800 1.00 31.03 ATOM 163 O HIS 10 14.458 -25.564 10.898 1.00 51.15 ATOM 164 N MET 11 14.421 -24.270 9.063 1.00 43.11 ATOM 165 HN MET 11 14.090 -24.162 8.150 1.00 38.61 ATOM 166 CA MET 11 15.395 -23.311 9.582 1.00 31.34 ATOM 167 HA MET 11 16.038 -23.830 10.280 1.00 73.43 ATOM 168 CB MET 11 16.246 -22.742 8.435 1.00 3.33 ATOM 169 HB1 MET 11 15.606 -22.167 7.780 1.00 38.61 ATOM 170 HB2 MET 11 16.668 -23.564 7.876 1.00 43.12 ATOM 171 CG MET 11 17.390 -21.844 8.896 1.00 71.14 ATOM 172 HG1 MET 11 18.053 -22.420 9.526 1.00 38.61 ATOM 173 HG2 MET 11 16.980 -21.023 9.467 1.00 64.00 ATOM 174 SD MET 11 18.344 -21.166 7.521 1.00 52.51 ATOM 175 CE MET 11 18.960 -22.665 6.751 1.00 32.24 ATOM 176 HE1 MET 11 19.580 -22.405 5.905 1.00 14.12 ATOM 177 HE2 MET 11 18.128 -23.267 6.417 1.00 22.41 ATOM 178 HE3 MET 11 19.544 -23.223 7.466 1.00 35.14 ATOM 179 C MET 11 14.658 -22.184 10.320 1.00 55.42 ATOM 180 O MET 11 13.513 -21.871 9.987 1.00 52.43 ATOM 181 N ASN 12 15.299 -21.606 11.339 1.00 23.25 ATOM 182 HN ASN 12 16.215 -21.891 11.545 1.00 38.61 ATOM 183 CA ASN 12 14.681 -20.557 12.174 1.00 33.24 ATOM 184 HA ASN 12 15.447 -20.189 12.841 1.00 72.35 ATOM 185 CB ASN 12 14.179 -19.388 11.311 1.00 64.24 ATOM 186 HB1 ASN 12 13.786 -18.614 11.956 1.00 38.61 ATOM 187 HB2 ASN 12 13.391 -19.740 10.661 1.00 65.00 ATOM 188 CG ASN 12 15.277 -18.787 10.451 1.00 20.21 ATOM 189 OD1 ASN 12 15.463 -19.165 9.297 1.00 44.44 ATOM 190 ND2 ASN 12 16.024 -17.857 11.004 1.00 43.43 ATOM 191 HD21 ASN 12 15.837 -17.602 11.934 1.00 74.34 ATOM 192 HD22 ASN 12 16.736 -17.459 10.469 1.00 50.35 ATOM 193 C ASN 12 13.527 -21.117 13.031 1.00 11.53 ATOM 194 O ASN 12 12.917 -20.395 13.825 1.00 40.12 ATOM 195 N SER 13 13.259 -22.417 12.893 1.00 61.32 ATOM 196 HN SER 13 13.822 -22.954 12.298 1.00 38.61 ATOM 197 CA SER 13 12.157 -23.070 13.612 1.00 2.25 ATOM 198 HA SER 13 11.275 -22.457 13.488 1.00 0.33 ATOM 199 CB SER 13 11.878 -24.458 13.019 1.00 44.14 ATOM 200 HB1 SER 13 11.059 -24.919 13.554 1.00 38.61 ATOM 201 HB2 SER 13 12.760 -25.074 13.113 1.00 51.21 ATOM 202 OG SER 13 11.529 -24.368 11.644 1.00 53.24 ATOM 203 HG SER 13 11.614 -23.454 11.349 1.00 65.30 ATOM 204 C SER 13 12.461 -23.192 15.108 1.00 53.10 ATOM 205 O SER 13 11.553 -23.301 15.932 1.00 73.23 ATOM 206 N ALA 14 13.743 -23.178 15.455 1.00 33.33 ATOM 207 HN ALA 14 14.429 -23.167 14.751 1.00 38.61 ATOM 208 CA ALA 14 14.160 -23.186 16.857 1.00 61.53 ATOM 209 HA ALA 14 13.534 -23.893 17.386 1.00 35.40 ATOM 210 CB ALA 14 15.606 -23.651 16.976 1.00 23.15 ATOM 211 HB1 ALA 14 16.252 -22.971 16.438 1.00 31.42 ATOM 212 HB2 ALA 14 15.699 -24.642 16.556 1.00 42.52 ATOM 213 HB3 ALA 14 15.896 -23.674 18.018 1.00 1.12 ATOM 214 C ALA 14 13.980 -21.796 17.486 1.00 71.40 ATOM 215 O ALA 14 13.605 -21.675 18.649 1.00 54.01 ATOM 216 N GLU 15 14.228 -20.750 16.694 1.00 44.25 ATOM 217 HN GLU 15 14.518 -20.913 15.772 1.00 38.61 ATOM 218 CA GLU 15 14.082 -19.361 17.156 1.00 34.51 ATOM 219 HA GLU 15 14.743 -19.226 18.001 1.00 54.13 ATOM 220 CB GLU 15 14.501 -18.391 16.042 1.00 54.35 ATOM 221 HB1 GLU 15 14.267 -17.381 16.353 1.00 38.61 ATOM 222 HB2 GLU 15 13.935 -18.621 15.150 1.00 32.10 ATOM 223 CG GLU 15 15.986 -18.453 15.696 1.00 1.54 ATOM 224 HG1 GLU 15 16.236 -19.474 15.437 1.00 38.61 ATOM 225 HG2 GLU 15 16.557 -18.156 16.564 1.00 32.01 ATOM 226 CD GLU 15 16.363 -17.545 14.534 1.00 54.11 ATOM 227 OE1 GLU 15 16.964 -18.040 13.556 1.00 32.33 ATOM 228 OE2 GLU 15 16.048 -16.335 14.587 1.00 73.41 ATOM 229 C GLU 15 12.643 -19.055 17.606 1.00 14.23 ATOM 230 O GLU 15 12.422 -18.476 18.676 1.00 61.14 ATOM 231 N GLN 16 11.662 -19.438 16.786 1.00 21.31 ATOM 232 HN GLN 16 11.893 -19.836 15.917 1.00 38.61 ATOM 233 CA GLN 16 10.248 -19.259 17.147 1.00 54.34 ATOM 234 HA GLN 16 10.096 -18.207 17.349 1.00 13.21 ATOM 235 CB GLN 16 9.324 -19.679 15.989 1.00 65.40 ATOM 236 HB1 GLN 16 9.568 -19.086 15.118 1.00 38.61 ATOM 237 HB2 GLN 16 8.299 -19.478 16.270 1.00 0.21 ATOM 238 CG GLN 16 9.434 -21.151 15.608 1.00 75.23 ATOM 239 HG1 GLN 16 9.250 -21.750 16.489 1.00 38.61 ATOM 240 HG2 GLN 16 10.434 -21.342 15.250 1.00 72.42 ATOM 241 CD GLN 16 8.449 -21.568 14.526 1.00 3.43 ATOM 242 OE1 GLN 16 8.071 -20.778 13.669 1.00 60.40 ATOM 243 NE2 GLN 16 8.030 -22.819 14.554 1.00 62.31 ATOM 244 HE21 GLN 16 8.368 -23.404 15.262 1.00 50.10 ATOM 245 HE22 GLN 16 7.396 -23.106 13.866 1.00 13.23 ATOM 246 C GLN 16 9.900 -20.055 18.416 1.00 1.23 ATOM 247 O GLN 16 9.135 -19.592 19.262 1.00 51.25 ATOM 248 N THR 17 10.485 -21.246 18.545 1.00 63.13 ATOM 249 HN THR 17 11.076 -21.563 17.830 1.00 38.61 ATOM 250 CA THR 17 10.267 -22.104 19.719 1.00 73.31 ATOM 251 HA THR 17 9.201 -22.245 19.828 1.00 51.41 ATOM 252 CB THR 17 10.923 -23.495 19.533 1.00 35.44 ATOM 253 HB THR 17 11.988 -23.356 19.397 1.00 51.21 ATOM 254 OG1 THR 17 10.387 -24.135 18.364 1.00 41.51 ATOM 255 HG1 THR 17 11.030 -24.090 17.649 1.00 64.52 ATOM 256 CG2 THR 17 10.700 -24.390 20.750 1.00 55.23 ATOM 257 HG21 THR 17 11.176 -25.346 20.585 1.00 74.20 ATOM 258 HG22 THR 17 9.641 -24.538 20.900 1.00 63.54 ATOM 259 HG23 THR 17 11.126 -23.924 21.627 1.00 43.15 ATOM 260 C THR 17 10.812 -21.452 20.997 1.00 51.32 ATOM 261 O THR 17 10.131 -21.416 22.022 1.00 44.41 ATOM 262 N VAL 18 12.041 -20.930 20.933 1.00 42.02 ATOM 263 HN VAL 18 12.567 -21.047 20.114 1.00 38.61 ATOM 264 CA VAL 18 12.625 -20.192 22.062 1.00 50.31 ATOM 265 HA VAL 18 12.737 -20.882 22.889 1.00 50.23 ATOM 266 CB VAL 18 14.025 -19.613 21.711 1.00 32.23 ATOM 267 HB VAL 18 13.908 -18.935 20.875 1.00 30.44 ATOM 268 CG1 VAL 18 14.602 -18.819 22.884 1.00 42.21 ATOM 269 HG11 VAL 18 15.574 -18.430 22.614 1.00 12.24 ATOM 270 HG12 VAL 18 14.701 -19.464 23.746 1.00 70.41 ATOM 271 HG13 VAL 18 13.942 -17.998 23.125 1.00 61.40 ATOM 272 CG2 VAL 18 14.987 -20.723 21.290 1.00 71.14 ATOM 273 HG21 VAL 18 15.947 -20.293 21.041 1.00 11.15 ATOM 274 HG22 VAL 18 14.591 -21.238 20.428 1.00 1.31 ATOM 275 HG23 VAL 18 15.108 -21.425 22.103 1.00 54.52 ATOM 276 C VAL 18 11.701 -19.041 22.489 1.00 15.10 ATOM 277 O VAL 18 11.317 -18.930 23.655 1.00 14.31 ATOM 278 N THR 19 11.334 -18.202 21.519 1.00 63.53 ATOM 279 HN THR 19 11.703 -18.333 20.619 1.00 38.61 ATOM 280 CA THR 19 10.405 -17.085 21.751 1.00 64.21 ATOM 281 HA THR 19 10.885 -16.383 22.420 1.00 51.33 ATOM 282 CB THR 19 10.064 -16.348 20.427 1.00 4.33 ATOM 283 HB THR 19 9.497 -17.020 19.796 1.00 53.45 ATOM 284 OG1 THR 19 11.270 -15.972 19.739 1.00 42.12 ATOM 285 HG1 THR 19 11.536 -16.687 19.143 1.00 63.41 ATOM 286 CG2 THR 19 9.222 -15.101 20.690 1.00 51.41 ATOM 287 HG21 THR 19 9.773 -14.422 21.326 1.00 3.33 ATOM 288 HG22 THR 19 8.300 -15.382 21.179 1.00 31.54 ATOM 289 HG23 THR 19 8.998 -14.612 19.754 1.00 33.34 ATOM 290 C THR 19 9.094 -17.573 22.388 1.00 74.31 ATOM 291 O THR 19 8.540 -16.926 23.278 1.00 73.21 ATOM 292 N TRP 20 8.615 -18.724 21.922 1.00 61.35 ATOM 293 HN TRP 20 9.112 -19.190 21.217 1.00 38.61 ATOM 294 CA TRP 20 7.372 -19.322 22.419 1.00 12.33 ATOM 295 HA TRP 20 6.591 -18.580 22.324 1.00 14.51 ATOM 296 CB TRP 20 7.011 -20.533 21.547 1.00 34.41 ATOM 297 HB1 TRP 20 7.782 -21.284 21.654 1.00 38.61 ATOM 298 HB2 TRP 20 6.969 -20.220 20.513 1.00 52.30 ATOM 299 CG TRP 20 5.694 -21.169 21.885 1.00 42.21 ATOM 300 CD1 TRP 20 4.505 -20.535 22.110 1.00 12.43 ATOM 301 HD1 TRP 20 4.370 -19.464 22.084 1.00 3.43 ATOM 302 CD2 TRP 20 5.432 -22.570 22.012 1.00 62.41 ATOM 303 NE1 TRP 20 3.524 -21.459 22.377 1.00 73.43 ATOM 304 HE1 TRP 20 2.586 -21.253 22.576 1.00 51.22 ATOM 305 CE2 TRP 20 4.069 -22.714 22.322 1.00 42.34 ATOM 306 CE3 TRP 20 6.222 -23.717 21.893 1.00 31.15 ATOM 307 HE3 TRP 20 7.275 -23.650 21.656 1.00 4.41 ATOM 308 CZ2 TRP 20 3.477 -23.955 22.517 1.00 2.41 ATOM 309 HZ2 TRP 20 2.428 -24.058 22.753 1.00 40.35 ATOM 310 CZ3 TRP 20 5.633 -24.951 22.086 1.00 40.23 ATOM 311 HZ3 TRP 20 6.225 -25.850 21.999 1.00 63.43 ATOM 312 CH2 TRP 20 4.272 -25.061 22.393 1.00 35.10 ATOM 313 HH2 TRP 20 3.854 -26.045 22.536 1.00 22.42 ATOM 314 C TRP 20 7.491 -19.727 23.902 1.00 23.11 ATOM 315 O TRP 20 6.596 -19.454 24.704 1.00 24.14 ATOM 316 N LEU 21 8.602 -20.365 24.265 1.00 31.13 ATOM 317 HN LEU 21 9.266 -20.595 23.578 1.00 38.61 ATOM 318 CA LEU 21 8.857 -20.742 25.663 1.00 3.41 ATOM 319 HA LEU 21 8.031 -21.356 25.993 1.00 12.12 ATOM 320 CB LEU 21 10.156 -21.554 25.771 1.00 3.11 ATOM 321 HB1 LEU 21 10.325 -21.787 26.813 1.00 38.61 ATOM 322 HB2 LEU 21 10.972 -20.934 25.425 1.00 23.30 ATOM 323 CG LEU 21 10.182 -22.873 24.975 1.00 72.54 ATOM 324 HG LEU 21 10.073 -22.648 23.923 1.00 12.11 ATOM 325 CD1 LEU 21 11.516 -23.591 25.162 1.00 74.30 ATOM 326 HD11 LEU 21 12.323 -22.941 24.857 1.00 55.52 ATOM 327 HD12 LEU 21 11.531 -24.486 24.555 1.00 65.32 ATOM 328 HD13 LEU 21 11.643 -23.859 26.201 1.00 12.34 ATOM 329 CD2 LEU 21 9.022 -23.780 25.384 1.00 53.02 ATOM 330 HD21 LEU 21 8.084 -23.274 25.200 1.00 52.13 ATOM 331 HD22 LEU 21 9.101 -24.019 26.435 1.00 31.24 ATOM 332 HD23 LEU 21 9.055 -24.692 24.805 1.00 24.43 ATOM 333 C LEU 21 8.936 -19.500 26.570 1.00 11.33 ATOM 334 O LEU 21 8.461 -19.508 27.712 1.00 54.22 ATOM 335 N ILE 22 9.534 -18.431 26.048 1.00 1.40 ATOM 336 HN ILE 22 9.913 -18.494 25.143 1.00 38.61 ATOM 337 CA ILE 22 9.656 -17.170 26.786 1.00 10.14 ATOM 338 HA ILE 22 10.102 -17.391 27.748 1.00 64.11 ATOM 339 CB ILE 22 10.581 -16.174 26.042 1.00 14.10 ATOM 340 HB ILE 22 10.149 -15.979 25.071 1.00 10.22 ATOM 341 CG1 ILE 22 11.980 -16.784 25.851 1.00 21.12 ATOM 342 HG11 ILE 22 11.884 -17.738 25.352 1.00 38.61 ATOM 343 HG12 ILE 22 12.435 -16.936 26.819 1.00 12.32 ATOM 344 CG2 ILE 22 10.670 -14.844 26.794 1.00 73.51 ATOM 345 HG21 ILE 22 11.058 -15.015 27.787 1.00 23.03 ATOM 346 HG22 ILE 22 9.687 -14.401 26.863 1.00 35.30 ATOM 347 HG23 ILE 22 11.329 -14.173 26.262 1.00 22.21 ATOM 348 CD1 ILE 22 12.919 -15.924 25.030 1.00 54.22 ATOM 349 HD11 ILE 22 12.484 -15.738 24.059 1.00 62.24 ATOM 350 HD12 ILE 22 13.859 -16.440 24.908 1.00 70.42 ATOM 351 HD13 ILE 22 13.088 -14.985 25.536 1.00 30.43 ATOM 352 C ILE 22 8.286 -16.508 27.013 1.00 32.42 ATOM 353 O ILE 22 7.917 -16.206 28.150 1.00 14.52 ATOM 354 N THR 23 7.532 -16.305 25.927 1.00 5.33 ATOM 355 HN THR 23 7.858 -16.628 25.059 1.00 38.61 ATOM 356 CA THR 23 6.234 -15.603 25.987 1.00 72.13 ATOM 357 HA THR 23 6.421 -14.622 26.404 1.00 63.21 ATOM 358 CB THR 23 5.615 -15.404 24.577 1.00 32.02 ATOM 359 HB THR 23 6.325 -14.863 23.966 1.00 75.13 ATOM 360 OG1 THR 23 4.404 -14.637 24.663 1.00 43.13 ATOM 361 HG1 THR 23 4.584 -13.801 25.112 1.00 61.20 ATOM 362 CG2 THR 23 5.315 -16.737 23.902 1.00 51.03 ATOM 363 HG21 THR 23 4.906 -16.560 22.918 1.00 52.42 ATOM 364 HG22 THR 23 4.599 -17.290 24.495 1.00 73.31 ATOM 365 HG23 THR 23 6.226 -17.311 23.814 1.00 32.43 ATOM 366 C THR 23 5.216 -16.323 26.890 1.00 45.52 ATOM 367 O THR 23 4.369 -15.681 27.516 1.00 2.41 ATOM 368 N LEU 24 5.294 -17.653 26.953 1.00 54.32 ATOM 369 HN LEU 24 5.939 -18.122 26.381 1.00 38.61 ATOM 370 CA LEU 24 4.427 -18.435 27.850 1.00 31.40 ATOM 371 HA LEU 24 3.427 -18.032 27.772 1.00 71.40 ATOM 372 CB LEU 24 4.398 -19.910 27.421 1.00 35.22 ATOM 373 HB1 LEU 24 3.905 -20.480 28.197 1.00 38.61 ATOM 374 HB2 LEU 24 5.420 -20.256 27.341 1.00 53.24 ATOM 375 CG LEU 24 3.685 -20.193 26.087 1.00 33.13 ATOM 376 HG LEU 24 4.162 -19.620 25.305 1.00 21.43 ATOM 377 CD1 LEU 24 3.794 -21.666 25.719 1.00 32.41 ATOM 378 HD11 LEU 24 3.343 -22.268 26.494 1.00 34.53 ATOM 379 HD12 LEU 24 4.836 -21.934 25.614 1.00 12.10 ATOM 380 HD13 LEU 24 3.282 -21.841 24.785 1.00 12.32 ATOM 381 CD2 LEU 24 2.217 -19.773 26.150 1.00 40.32 ATOM 382 HD21 LEU 24 1.748 -19.967 25.197 1.00 10.43 ATOM 383 HD22 LEU 24 2.150 -18.719 26.375 1.00 22.11 ATOM 384 HD23 LEU 24 1.710 -20.339 26.920 1.00 11.23 ATOM 385 C LEU 24 4.881 -18.325 29.316 1.00 72.12 ATOM 386 O LEU 24 4.108 -18.588 30.238 1.00 53.32 ATOM 387 N GLY 25 6.135 -17.930 29.522 1.00 75.21 ATOM 388 HN GLY 25 6.701 -17.713 28.751 1.00 38.61 ATOM 389 CA GLY 25 6.668 -17.789 30.873 1.00 43.33 ATOM 390 HA1 GLY 25 5.899 -17.373 31.511 1.00 38.61 ATOM 391 HA2 GLY 25 7.498 -17.098 30.844 1.00 25.35 ATOM 392 C GLY 25 7.152 -19.105 31.481 1.00 11.22 ATOM 393 O GLY 25 7.208 -19.246 32.704 1.00 62.42 ATOM 394 N VAL 26 7.497 -20.074 30.631 1.00 73.41 ATOM 395 HN VAL 26 7.386 -19.923 29.668 1.00 38.61 ATOM 396 CA VAL 26 8.030 -21.365 31.099 1.00 72.13 ATOM 397 HA VAL 26 7.728 -21.495 32.132 1.00 21.30 ATOM 398 CB VAL 26 7.451 -22.547 30.277 1.00 62.21 ATOM 399 HB VAL 26 7.800 -23.471 30.723 1.00 50.35 ATOM 400 CG1 VAL 26 5.924 -22.542 30.340 1.00 44.20 ATOM 401 HG11 VAL 26 5.605 -22.618 31.371 1.00 65.00 ATOM 402 HG12 VAL 26 5.535 -23.383 29.784 1.00 34.50 ATOM 403 HG13 VAL 26 5.546 -21.624 29.914 1.00 23.25 ATOM 404 CG2 VAL 26 7.937 -22.504 28.826 1.00 54.52 ATOM 405 HG21 VAL 26 7.476 -23.306 28.266 1.00 31.23 ATOM 406 HG22 VAL 26 9.011 -22.621 28.799 1.00 73.12 ATOM 407 HG23 VAL 26 7.668 -21.556 28.383 1.00 2.32 ATOM 408 C VAL 26 9.566 -21.387 31.035 1.00 53.54 ATOM 409 O VAL 26 10.213 -22.281 31.582 1.00 45.04 ATOM 410 N LEU 27 10.132 -20.390 30.357 1.00 32.35 ATOM 411 HN LEU 27 9.552 -19.745 29.905 1.00 38.61 ATOM 412 CA LEU 27 11.585 -20.221 30.254 1.00 35.12 ATOM 413 HA LEU 27 12.045 -20.772 31.063 1.00 23.34 ATOM 414 CB LEU 27 12.089 -20.780 28.915 1.00 31.32 ATOM 415 HB1 LEU 27 11.569 -20.265 28.119 1.00 38.61 ATOM 416 HB2 LEU 27 11.828 -21.829 28.869 1.00 62.03 ATOM 417 CG LEU 27 13.604 -20.647 28.664 1.00 43.34 ATOM 418 HG LEU 27 13.868 -19.598 28.671 1.00 71.50 ATOM 419 CD1 LEU 27 14.407 -21.335 29.766 1.00 53.45 ATOM 420 HD11 LEU 27 14.134 -22.380 29.816 1.00 13.34 ATOM 421 HD12 LEU 27 14.196 -20.862 30.714 1.00 4.05 ATOM 422 HD13 LEU 27 15.463 -21.250 29.551 1.00 22.11 ATOM 423 CD2 LEU 27 13.974 -21.213 27.293 1.00 44.42 ATOM 424 HD21 LEU 27 15.045 -21.155 27.158 1.00 62.24 ATOM 425 HD22 LEU 27 13.485 -20.638 26.520 1.00 53.25 ATOM 426 HD23 LEU 27 13.659 -22.245 27.228 1.00 34.45 ATOM 427 C LEU 27 11.964 -18.736 30.389 1.00 31.31 ATOM 428 O LEU 27 11.294 -17.862 29.830 1.00 50.04 ATOM 429 N GLU 28 13.034 -18.458 31.132 1.00 24.11 ATOM 430 HN GLU 28 13.553 -19.198 31.512 1.00 38.61 ATOM 431 CA GLU 28 13.464 -17.074 31.385 1.00 11.40 ATOM 432 HA GLU 28 12.572 -16.494 31.588 1.00 71.22 ATOM 433 CB GLU 28 14.375 -17.009 32.627 1.00 42.30 ATOM 434 HB1 GLU 28 13.828 -17.393 33.477 1.00 38.61 ATOM 435 HB2 GLU 28 14.628 -15.975 32.818 1.00 43.43 ATOM 436 CG GLU 28 15.677 -17.800 32.502 1.00 13.13 ATOM 437 HG1 GLU 28 16.279 -17.354 31.723 1.00 38.61 ATOM 438 HG2 GLU 28 15.439 -18.819 32.228 1.00 62.32 ATOM 439 CD GLU 28 16.484 -17.816 33.796 1.00 20.11 ATOM 440 OE1 GLU 28 16.432 -18.827 34.529 1.00 60.11 ATOM 441 OE2 GLU 28 17.169 -16.812 34.098 1.00 73.23 ATOM 442 C GLU 28 14.170 -16.459 30.162 1.00 32.02 ATOM 443 O GLU 28 14.781 -17.166 29.358 1.00 11.54 ATOM 444 N SER 29 14.073 -15.134 30.032 1.00 40.04 ATOM 445 HN SER 29 13.595 -14.627 30.721 1.00 38.61 ATOM 446 CA SER 29 14.661 -14.407 28.894 1.00 1.33 ATOM 447 HA SER 29 14.233 -14.816 27.990 1.00 70.32 ATOM 448 CB SER 29 14.300 -12.915 28.977 1.00 61.34 ATOM 449 HB1 SER 29 14.554 -12.542 29.958 1.00 38.61 ATOM 450 HB2 SER 29 13.240 -12.794 28.812 1.00 31.42 ATOM 451 OG SER 29 15.001 -12.150 28.002 1.00 1.22 ATOM 452 HG SER 29 15.848 -11.863 28.376 1.00 11.12 ATOM 453 C SER 29 16.192 -14.565 28.832 1.00 73.02 ATOM 454 O SER 29 16.879 -14.463 29.853 1.00 72.30 ATOM 455 N PRO 30 16.748 -14.800 27.623 1.00 61.30 ATOM 456 CA PRO 30 18.199 -14.988 27.426 1.00 53.41 ATOM 457 HA PRO 30 18.556 -15.852 27.970 1.00 52.12 ATOM 458 CB PRO 30 18.331 -15.247 25.915 1.00 4.43 ATOM 459 HB1 PRO 30 18.409 -16.311 25.735 1.00 38.61 ATOM 460 HB2 PRO 30 19.212 -14.750 25.529 1.00 54.21 ATOM 461 CG PRO 30 17.083 -14.688 25.319 1.00 21.24 ATOM 462 HG1 PRO 30 16.840 -15.215 24.408 1.00 38.61 ATOM 463 HG2 PRO 30 17.209 -13.631 25.120 1.00 40.02 ATOM 464 CD PRO 30 16.011 -14.904 26.351 1.00 31.42 ATOM 465 HD1 PRO 30 15.569 -15.884 26.240 1.00 38.61 ATOM 466 HD2 PRO 30 15.255 -14.135 26.277 1.00 25.33 ATOM 467 C PRO 30 19.031 -13.761 27.833 1.00 14.03 ATOM 468 O PRO 30 18.623 -12.615 27.627 1.00 43.01 ATOM 469 N LYS 31 20.208 -14.015 28.399 1.00 34.51 ATOM 470 HN LYS 31 20.501 -14.949 28.481 1.00 38.61 ATOM 471 CA LYS 31 21.088 -12.950 28.894 1.00 20.13 ATOM 472 HA LYS 31 20.468 -12.100 29.148 1.00 4.53 ATOM 473 CB LYS 31 21.834 -13.417 30.159 1.00 54.32 ATOM 474 HB1 LYS 31 22.501 -12.627 30.478 1.00 38.61 ATOM 475 HB2 LYS 31 22.423 -14.290 29.913 1.00 31.32 ATOM 476 CG LYS 31 20.917 -13.773 31.334 1.00 1.35 ATOM 477 HG1 LYS 31 20.219 -12.961 31.487 1.00 38.61 ATOM 478 HG2 LYS 31 21.521 -13.896 32.222 1.00 23.13 ATOM 479 CD LYS 31 20.133 -15.064 31.092 1.00 3.31 ATOM 480 HD1 LYS 31 20.825 -15.894 31.079 1.00 38.61 ATOM 481 HD2 LYS 31 19.637 -14.997 30.134 1.00 60.22 ATOM 482 CE LYS 31 19.081 -15.314 32.167 1.00 24.33 ATOM 483 HE1 LYS 31 18.488 -16.170 31.876 1.00 38.61 ATOM 484 HE2 LYS 31 18.441 -14.446 32.235 1.00 74.43 ATOM 485 NZ LYS 31 19.676 -15.576 33.505 1.00 1.25 ATOM 486 HZ1 LYS 31 20.154 -14.724 33.860 1.00 11.12 ATOM 487 HZ2 LYS 31 20.368 -16.349 33.445 1.00 32.15 ATOM 488 HZ3 LYS 31 18.929 -15.850 34.179 1.00 70.02 ATOM 489 C LYS 31 22.089 -12.514 27.811 1.00 41.13 ATOM 490 O LYS 31 22.651 -11.417 27.867 1.00 13.52 ATOM 491 N LYS 32 22.305 -13.390 26.832 1.00 52.33 ATOM 492 HN LYS 32 21.865 -14.266 26.877 1.00 38.61 ATOM 493 CA LYS 32 23.175 -13.099 25.685 1.00 4.24 ATOM 494 HA LYS 32 23.465 -12.058 25.735 1.00 30.12 ATOM 495 CB LYS 32 24.436 -13.978 25.732 1.00 63.14 ATOM 496 HB1 LYS 32 25.053 -13.750 24.873 1.00 38.61 ATOM 497 HB2 LYS 32 24.137 -15.017 25.679 1.00 63.44 ATOM 498 CG LYS 32 25.281 -13.791 26.990 1.00 25.33 ATOM 499 HG1 LYS 32 26.119 -14.474 26.951 1.00 38.61 ATOM 500 HG2 LYS 32 24.674 -14.017 27.855 1.00 4.13 ATOM 501 CD LYS 32 25.810 -12.364 27.117 1.00 43.31 ATOM 502 HD1 LYS 32 24.973 -11.680 27.134 1.00 38.61 ATOM 503 HD2 LYS 32 26.435 -12.144 26.263 1.00 34.31 ATOM 504 CE LYS 32 26.630 -12.172 28.388 1.00 31.43 ATOM 505 HE1 LYS 32 27.481 -12.838 28.360 1.00 38.61 ATOM 506 HE2 LYS 32 26.014 -12.414 29.242 1.00 31.25 ATOM 507 NZ LYS 32 27.115 -10.775 28.526 1.00 53.33 ATOM 508 HZ1 LYS 32 26.310 -10.118 28.567 1.00 44.45 ATOM 509 HZ2 LYS 32 27.711 -10.519 27.714 1.00 13.33 ATOM 510 HZ3 LYS 32 27.674 -10.672 29.399 1.00 53.54 ATOM 511 C LYS 32 22.428 -13.342 24.366 1.00 41.24 ATOM 512 O LYS 32 21.407 -14.034 24.339 1.00 14.33 ATOM 513 N THR 33 22.934 -12.770 23.276 1.00 73.40 ATOM 514 HN THR 33 23.721 -12.190 23.363 1.00 38.61 ATOM 515 CA THR 33 22.342 -12.979 21.949 1.00 73.33 ATOM 516 HA THR 33 21.289 -12.736 22.011 1.00 51.12 ATOM 517 CB THR 33 22.993 -12.063 20.878 1.00 22.32 ATOM 518 HB THR 33 24.028 -12.354 20.758 1.00 70.23 ATOM 519 OG1 THR 33 22.944 -10.690 21.299 1.00 34.22 ATOM 520 HG1 THR 33 23.756 -10.244 21.020 1.00 14.11 ATOM 521 CG2 THR 33 22.289 -12.199 19.531 1.00 11.31 ATOM 522 HG21 THR 33 22.379 -13.215 19.175 1.00 70.41 ATOM 523 HG22 THR 33 22.744 -11.528 18.817 1.00 4.53 ATOM 524 HG23 THR 33 21.244 -11.947 19.642 1.00 41.01 ATOM 525 C THR 33 22.492 -14.445 21.514 1.00 50.33 ATOM 526 O THR 33 23.583 -14.881 21.131 1.00 35.23 ATOM 527 N ILE 34 21.396 -15.200 21.582 1.00 2.31 ATOM 528 HN ILE 34 20.545 -14.780 21.836 1.00 38.61 ATOM 529 CA ILE 34 21.419 -16.637 21.285 1.00 32.33 ATOM 530 HA ILE 34 22.146 -17.096 21.942 1.00 44.55 ATOM 531 CB ILE 34 20.040 -17.295 21.558 1.00 5.32 ATOM 532 HB ILE 34 19.310 -16.815 20.921 1.00 63.05 ATOM 533 CG1 ILE 34 19.624 -17.100 23.025 1.00 34.31 ATOM 534 HG11 ILE 34 19.576 -16.044 23.244 1.00 38.61 ATOM 535 HG12 ILE 34 20.361 -17.561 23.668 1.00 31.32 ATOM 536 CG2 ILE 34 20.066 -18.783 21.201 1.00 31.01 ATOM 537 HG21 ILE 34 20.824 -19.283 21.789 1.00 25.02 ATOM 538 HG22 ILE 34 20.292 -18.900 20.151 1.00 54.24 ATOM 539 HG23 ILE 34 19.102 -19.223 21.411 1.00 41.12 ATOM 540 CD1 ILE 34 18.275 -17.707 23.362 1.00 71.35 ATOM 541 HD11 ILE 34 17.513 -17.265 22.737 1.00 71.45 ATOM 542 HD12 ILE 34 18.045 -17.514 24.399 1.00 13.13 ATOM 543 HD13 ILE 34 18.306 -18.773 23.194 1.00 22.24 ATOM 544 C ILE 34 21.826 -16.914 19.829 1.00 51.12 ATOM 545 O ILE 34 21.029 -16.741 18.905 1.00 63.45 ATOM 546 N SER 35 23.073 -17.326 19.629 1.00 43.34 ATOM 547 HN SER 35 23.687 -17.369 20.394 1.00 38.61 ATOM 548 CA SER 35 23.561 -17.710 18.299 1.00 41.12 ATOM 549 HA SER 35 23.198 -16.984 17.586 1.00 74.12 ATOM 550 CB SER 35 25.096 -17.716 18.272 1.00 74.21 ATOM 551 HB1 SER 35 25.461 -16.712 18.439 1.00 38.61 ATOM 552 HB2 SER 35 25.437 -18.064 17.307 1.00 14.22 ATOM 553 OG SER 35 25.629 -18.568 19.280 1.00 64.11 ATOM 554 HG SER 35 25.324 -19.476 19.136 1.00 53.53 ATOM 555 C SER 35 23.037 -19.094 17.906 1.00 62.55 ATOM 556 O SER 35 22.653 -19.328 16.759 1.00 52.41 ATOM 557 N ASP 36 23.019 -20.002 18.875 1.00 52.42 ATOM 558 HN ASP 36 23.319 -19.740 19.771 1.00 38.61 ATOM 559 CA ASP 36 22.574 -21.381 18.658 1.00 42.33 ATOM 560 HA ASP 36 22.381 -21.505 17.600 1.00 73.21 ATOM 561 CB ASP 36 23.693 -22.348 19.070 1.00 44.52 ATOM 562 HB1 ASP 36 24.512 -22.264 18.369 1.00 38.61 ATOM 563 HB2 ASP 36 23.314 -23.360 19.050 1.00 71.34 ATOM 564 CG ASP 36 24.220 -22.050 20.467 1.00 25.44 ATOM 565 OD1 ASP 36 24.006 -22.869 21.382 1.00 71.02 ATOM 566 OD2 ASP 36 24.835 -20.977 20.658 1.00 3.34 ATOM 567 C ASP 36 21.273 -21.684 19.435 1.00 54.45 ATOM 568 O ASP 36 21.309 -22.098 20.595 1.00 2.44 ATOM 569 N PRO 37 20.099 -21.472 18.808 1.00 42.21 ATOM 570 CA PRO 37 18.802 -21.738 19.456 1.00 4.22 ATOM 571 HA PRO 37 18.716 -21.200 20.392 1.00 13.41 ATOM 572 CB PRO 37 17.780 -21.186 18.449 1.00 22.52 ATOM 573 HB1 PRO 37 17.513 -20.174 18.721 1.00 38.61 ATOM 574 HB2 PRO 37 16.893 -21.806 18.445 1.00 11.15 ATOM 575 CG PRO 37 18.483 -21.225 17.133 1.00 20.22 ATOM 576 HG1 PRO 37 18.086 -20.461 16.478 1.00 38.61 ATOM 577 HG2 PRO 37 18.366 -22.202 16.682 1.00 71.44 ATOM 578 CD PRO 37 19.934 -20.957 17.433 1.00 30.42 ATOM 579 HD1 PRO 37 20.140 -19.896 17.393 1.00 38.61 ATOM 580 HD2 PRO 37 20.569 -21.491 16.740 1.00 25.11 ATOM 581 C PRO 37 18.575 -23.235 19.716 1.00 33.40 ATOM 582 O PRO 37 17.989 -23.619 20.727 1.00 13.11 ATOM 583 N GLU 38 19.059 -24.072 18.799 1.00 63.11 ATOM 584 HN GLU 38 19.509 -23.702 18.013 1.00 38.61 ATOM 585 CA GLU 38 18.935 -25.530 18.926 1.00 31.12 ATOM 586 HA GLU 38 17.886 -25.755 19.066 1.00 1.31 ATOM 587 CB GLU 38 19.417 -26.214 17.636 1.00 65.32 ATOM 588 HB1 GLU 38 19.381 -27.286 17.774 1.00 38.61 ATOM 589 HB2 GLU 38 20.440 -25.919 17.445 1.00 10.30 ATOM 590 CG GLU 38 18.576 -25.859 16.411 1.00 72.14 ATOM 591 HG1 GLU 38 18.604 -24.786 16.271 1.00 38.61 ATOM 592 HG2 GLU 38 17.556 -26.165 16.593 1.00 42.00 ATOM 593 CD GLU 38 19.059 -26.530 15.132 1.00 21.33 ATOM 594 OE1 GLU 38 19.508 -25.815 14.209 1.00 25.11 ATOM 595 OE2 GLU 38 18.984 -27.773 15.043 1.00 23.04 ATOM 596 C GLU 38 19.714 -26.062 20.143 1.00 11.42 ATOM 597 O GLU 38 19.176 -26.817 20.957 1.00 45.15 ATOM 598 N GLY 39 20.980 -25.660 20.264 1.00 32.24 ATOM 599 HN GLY 39 21.370 -25.096 19.568 1.00 38.61 ATOM 600 CA GLY 39 21.788 -26.051 21.418 1.00 52.40 ATOM 601 HA1 GLY 39 22.788 -25.661 21.291 1.00 38.61 ATOM 602 HA2 GLY 39 21.837 -27.131 21.462 1.00 75.10 ATOM 603 C GLY 39 21.219 -25.523 22.734 1.00 53.43 ATOM 604 O GLY 39 21.154 -26.244 23.733 1.00 54.34 ATOM 605 N PHE 40 20.798 -24.260 22.723 1.00 45.44 ATOM 606 HN PHE 40 20.928 -23.727 21.909 1.00 38.61 ATOM 607 CA PHE 40 20.164 -23.629 23.888 1.00 42.44 ATOM 608 HA PHE 40 20.893 -23.602 24.685 1.00 3.43 ATOM 609 CB PHE 40 19.762 -22.189 23.530 1.00 1.14 ATOM 610 HB1 PHE 40 19.080 -22.216 22.692 1.00 38.61 ATOM 611 HB2 PHE 40 20.648 -21.639 23.241 1.00 45.02 ATOM 612 CG PHE 40 19.092 -21.432 24.654 1.00 4.45 ATOM 613 CD1 PHE 40 19.840 -20.910 25.703 1.00 11.31 ATOM 614 HD1 PHE 40 20.911 -21.050 25.711 1.00 22.43 ATOM 615 CD2 PHE 40 17.716 -21.239 24.660 1.00 65.34 ATOM 616 HD2 PHE 40 17.120 -21.638 23.851 1.00 14.32 ATOM 617 CE1 PHE 40 19.229 -20.215 26.731 1.00 61.33 ATOM 618 HE1 PHE 40 19.823 -19.815 27.541 1.00 31.43 ATOM 619 CE2 PHE 40 17.102 -20.544 25.686 1.00 74.54 ATOM 620 HE2 PHE 40 16.031 -20.403 25.678 1.00 12.30 ATOM 621 CZ PHE 40 17.859 -20.032 26.722 1.00 72.23 ATOM 622 HZ PHE 40 17.380 -19.490 27.526 1.00 24.14 ATOM 623 C PHE 40 18.932 -24.425 24.370 1.00 62.43 ATOM 624 O PHE 40 18.799 -24.728 25.560 1.00 3.12 ATOM 625 N LEU 41 18.039 -24.764 23.440 1.00 2.33 ATOM 626 HN LEU 41 18.190 -24.488 22.512 1.00 38.61 ATOM 627 CA LEU 41 16.834 -25.535 23.768 1.00 73.15 ATOM 628 HA LEU 41 16.270 -24.964 24.492 1.00 22.31 ATOM 629 CB LEU 41 15.966 -25.736 22.517 1.00 53.22 ATOM 630 HB1 LEU 41 15.194 -26.456 22.749 1.00 38.61 ATOM 631 HB2 LEU 41 16.593 -26.148 21.737 1.00 31.14 ATOM 632 CG LEU 41 15.290 -24.465 21.972 1.00 5.04 ATOM 633 HG LEU 41 16.052 -23.733 21.740 1.00 32.34 ATOM 634 CD1 LEU 41 14.528 -24.763 20.683 1.00 24.41 ATOM 635 HD11 LEU 41 14.098 -23.849 20.298 1.00 70.02 ATOM 636 HD12 LEU 41 13.739 -25.475 20.882 1.00 3.42 ATOM 637 HD13 LEU 41 15.207 -25.175 19.951 1.00 3.42 ATOM 638 CD2 LEU 41 14.362 -23.859 23.023 1.00 43.13 ATOM 639 HD21 LEU 41 14.931 -23.620 23.910 1.00 1.41 ATOM 640 HD22 LEU 41 13.585 -24.566 23.273 1.00 21.32 ATOM 641 HD23 LEU 41 13.914 -22.956 22.632 1.00 41.43 ATOM 642 C LEU 41 17.181 -26.898 24.387 1.00 14.24 ATOM 643 O LEU 41 16.590 -27.294 25.389 1.00 65.24 ATOM 644 N GLN 42 18.145 -27.605 23.798 1.00 53.10 ATOM 645 HN GLN 42 18.593 -27.236 23.006 1.00 38.61 ATOM 646 CA GLN 42 18.552 -28.922 24.307 1.00 3.35 ATOM 647 HA GLN 42 17.695 -29.577 24.231 1.00 44.23 ATOM 648 CB GLN 42 19.693 -29.498 23.446 1.00 22.50 ATOM 649 HB1 GLN 42 20.567 -28.870 23.569 1.00 38.61 ATOM 650 HB2 GLN 42 19.389 -29.468 22.408 1.00 13.35 ATOM 651 CG GLN 42 20.086 -30.944 23.784 1.00 0.23 ATOM 652 HG1 GLN 42 20.589 -31.370 22.926 1.00 38.61 ATOM 653 HG2 GLN 42 19.186 -31.509 23.978 1.00 4.13 ATOM 654 CD GLN 42 21.007 -31.071 24.997 1.00 40.12 ATOM 655 OE1 GLN 42 21.815 -30.191 25.277 1.00 32.44 ATOM 656 NE2 GLN 42 20.891 -32.166 25.725 1.00 72.02 ATOM 657 HE21 GLN 42 20.226 -32.833 25.459 1.00 10.43 ATOM 658 HE22 GLN 42 21.479 -32.265 26.504 1.00 22.23 ATOM 659 C GLN 42 18.975 -28.840 25.783 1.00 74.41 ATOM 660 O GLN 42 18.561 -29.658 26.607 1.00 4.44 ATOM 661 N ALA 43 19.792 -27.840 26.111 1.00 25.23 ATOM 662 HN ALA 43 20.089 -27.219 25.408 1.00 38.61 ATOM 663 CA ALA 43 20.269 -27.645 27.486 1.00 3.15 ATOM 664 HA ALA 43 20.719 -28.573 27.813 1.00 51.21 ATOM 665 CB ALA 43 21.346 -26.565 27.518 1.00 1.00 ATOM 666 HB1 ALA 43 22.154 -26.841 26.856 1.00 11.31 ATOM 667 HB2 ALA 43 21.726 -26.463 28.524 1.00 44.03 ATOM 668 HB3 ALA 43 20.924 -25.624 27.196 1.00 41.53 ATOM 669 C ALA 43 19.121 -27.285 28.449 1.00 45.24 ATOM 670 O ALA 43 19.058 -27.786 29.574 1.00 31.31 ATOM 671 N SER 44 18.215 -26.417 27.997 1.00 35.32 ATOM 672 HN SER 44 18.305 -26.075 27.080 1.00 38.61 ATOM 673 CA SER 44 17.089 -25.951 28.828 1.00 32.32 ATOM 674 HA SER 44 17.488 -25.654 29.788 1.00 21.23 ATOM 675 CB SER 44 16.421 -24.730 28.177 1.00 42.33 ATOM 676 HB1 SER 44 16.079 -24.996 27.186 1.00 38.61 ATOM 677 HB2 SER 44 17.138 -23.926 28.103 1.00 23.14 ATOM 678 OG SER 44 15.312 -24.280 28.937 1.00 12.40 ATOM 679 HG SER 44 14.497 -24.591 28.533 1.00 4.01 ATOM 680 C SER 44 16.033 -27.047 29.050 1.00 42.01 ATOM 681 O SER 44 15.511 -27.215 30.155 1.00 0.43 ATOM 682 N LEU 45 15.722 -27.793 27.996 1.00 61.14 ATOM 683 HN LEU 45 16.217 -27.663 27.159 1.00 38.61 ATOM 684 CA LEU 45 14.661 -28.807 28.042 1.00 65.15 ATOM 685 HA LEU 45 13.899 -28.463 28.728 1.00 4.24 ATOM 686 CB LEU 45 14.037 -28.956 26.647 1.00 44.21 ATOM 687 HB1 LEU 45 13.194 -29.630 26.720 1.00 38.61 ATOM 688 HB2 LEU 45 14.774 -29.402 25.992 1.00 24.41 ATOM 689 CG LEU 45 13.549 -27.645 26.004 1.00 13.01 ATOM 690 HG LEU 45 14.390 -26.972 25.906 1.00 13.34 ATOM 691 CD1 LEU 45 12.996 -27.898 24.603 1.00 12.12 ATOM 692 HD11 LEU 45 13.773 -28.317 23.978 1.00 63.20 ATOM 693 HD12 LEU 45 12.657 -26.966 24.174 1.00 63.34 ATOM 694 HD13 LEU 45 12.167 -28.591 24.658 1.00 33.20 ATOM 695 CD2 LEU 45 12.506 -26.963 26.885 1.00 73.15 ATOM 696 HD21 LEU 45 12.941 -26.734 27.847 1.00 72.04 ATOM 697 HD22 LEU 45 11.661 -27.622 27.021 1.00 52.54 ATOM 698 HD23 LEU 45 12.175 -26.048 26.415 1.00 13.44 ATOM 699 C LEU 45 15.185 -30.169 28.531 1.00 54.44 ATOM 700 O LEU 45 14.413 -31.115 28.686 1.00 64.32 ATOM 701 N LYS 46 16.491 -30.247 28.788 1.00 25.42 ATOM 702 HN LYS 46 17.037 -29.439 28.687 1.00 38.61 ATOM 703 CA LYS 46 17.153 -31.497 29.197 1.00 41.13 ATOM 704 HA LYS 46 17.165 -32.158 28.343 1.00 15.31 ATOM 705 CB LYS 46 18.603 -31.199 29.609 1.00 12.22 ATOM 706 HB1 LYS 46 18.592 -30.590 30.503 1.00 38.61 ATOM 707 HB2 LYS 46 19.081 -30.644 28.815 1.00 32.34 ATOM 708 CG LYS 46 19.435 -32.447 29.889 1.00 5.31 ATOM 709 HG1 LYS 46 19.622 -32.954 28.951 1.00 38.61 ATOM 710 HG2 LYS 46 18.873 -33.101 30.541 1.00 61.25 ATOM 711 CD LYS 46 20.776 -32.123 30.554 1.00 43.24 ATOM 712 HD1 LYS 46 21.221 -31.274 30.052 1.00 38.61 ATOM 713 HD2 LYS 46 21.429 -32.978 30.452 1.00 41.33 ATOM 714 CE LYS 46 20.628 -31.798 32.043 1.00 2.11 ATOM 715 HE1 LYS 46 21.613 -31.734 32.481 1.00 38.61 ATOM 716 HE2 LYS 46 20.083 -32.599 32.517 1.00 25.52 ATOM 717 NZ LYS 46 19.905 -30.520 32.295 1.00 65.51 ATOM 718 HZ1 LYS 46 18.933 -30.573 31.934 1.00 23.43 ATOM 719 HZ2 LYS 46 20.389 -29.731 31.829 1.00 4.23 ATOM 720 HZ3 LYS 46 19.864 -30.329 33.319 1.00 64.31 ATOM 721 C LYS 46 16.435 -32.204 30.363 1.00 40.14 ATOM 722 O LYS 46 16.244 -33.419 30.344 1.00 70.23 ATOM 723 N ASP 47 16.054 -31.436 31.380 1.00 52.03 ATOM 724 HN ASP 47 16.181 -30.466 31.315 1.00 38.61 ATOM 725 CA ASP 47 15.455 -31.998 32.598 1.00 1.33 ATOM 726 HA ASP 47 15.929 -32.949 32.790 1.00 53.22 ATOM 727 CB ASP 47 15.731 -31.067 33.778 1.00 62.51 ATOM 728 HB1 ASP 47 15.455 -31.562 34.699 1.00 38.61 ATOM 729 HB2 ASP 47 15.142 -30.166 33.667 1.00 34.13 ATOM 730 CG ASP 47 17.193 -30.682 33.851 1.00 32.02 ATOM 731 OD1 ASP 47 17.960 -31.353 34.572 1.00 53.24 ATOM 732 OD2 ASP 47 17.586 -29.714 33.167 1.00 73.02 ATOM 733 C ASP 47 13.942 -32.222 32.453 1.00 44.13 ATOM 734 O ASP 47 13.296 -32.754 33.357 1.00 61.31 ATOM 735 N GLY 48 13.378 -31.782 31.331 1.00 54.43 ATOM 736 HN GLY 48 13.936 -31.331 30.664 1.00 38.61 ATOM 737 CA GLY 48 11.955 -31.981 31.067 1.00 21.24 ATOM 738 HA1 GLY 48 11.695 -32.997 31.329 1.00 38.61 ATOM 739 HA2 GLY 48 11.783 -31.849 30.009 1.00 62.53 ATOM 740 C GLY 48 11.033 -31.028 31.829 1.00 23.31 ATOM 741 O GLY 48 9.909 -30.781 31.398 1.00 52.35 ATOM 742 N VAL 49 11.502 -30.482 32.951 1.00 44.21 ATOM 743 HN VAL 49 12.426 -30.665 33.216 1.00 38.61 ATOM 744 CA VAL 49 10.669 -29.623 33.809 1.00 21.52 ATOM 745 HA VAL 49 9.849 -30.230 34.174 1.00 33.25 ATOM 746 CB VAL 49 11.460 -29.099 35.037 1.00 23.23 ATOM 747 HB VAL 49 12.213 -28.409 34.682 1.00 31.21 ATOM 748 CG1 VAL 49 10.538 -28.342 35.997 1.00 54.32 ATOM 749 HG11 VAL 49 9.755 -29.002 36.349 1.00 51.31 ATOM 750 HG12 VAL 49 10.095 -27.502 35.484 1.00 53.21 ATOM 751 HG13 VAL 49 11.111 -27.984 36.841 1.00 42.43 ATOM 752 CG2 VAL 49 12.170 -30.246 35.757 1.00 52.11 ATOM 753 HG21 VAL 49 12.864 -30.726 35.079 1.00 40.11 ATOM 754 HG22 VAL 49 11.440 -30.969 36.093 1.00 15.22 ATOM 755 HG23 VAL 49 12.710 -29.859 36.610 1.00 24.42 ATOM 756 C VAL 49 10.083 -28.427 33.033 1.00 64.22 ATOM 757 O VAL 49 8.907 -28.089 33.193 1.00 3.22 ATOM 758 N VAL 50 10.902 -27.787 32.193 1.00 34.12 ATOM 759 HN VAL 50 11.847 -28.057 32.144 1.00 38.61 ATOM 760 CA VAL 50 10.419 -26.685 31.346 1.00 45.12 ATOM 761 HA VAL 50 9.983 -25.938 31.998 1.00 21.22 ATOM 762 CB VAL 50 11.578 -26.017 30.551 1.00 52.14 ATOM 763 HB VAL 50 12.063 -26.779 29.955 1.00 62.54 ATOM 764 CG1 VAL 50 11.047 -24.939 29.603 1.00 41.42 ATOM 765 HG11 VAL 50 11.872 -24.491 29.066 1.00 42.41 ATOM 766 HG12 VAL 50 10.534 -24.176 30.172 1.00 65.23 ATOM 767 HG13 VAL 50 10.359 -25.384 28.898 1.00 1.30 ATOM 768 CG2 VAL 50 12.618 -25.424 31.505 1.00 2.23 ATOM 769 HG21 VAL 50 12.154 -24.668 32.126 1.00 32.30 ATOM 770 HG22 VAL 50 13.418 -24.973 30.933 1.00 35.44 ATOM 771 HG23 VAL 50 13.023 -26.206 32.131 1.00 74.21 ATOM 772 C VAL 50 9.331 -27.177 30.370 1.00 45.32 ATOM 773 O VAL 50 8.357 -26.472 30.099 1.00 21.00 ATOM 774 N LEU 51 9.495 -28.404 29.867 1.00 22.15 ATOM 775 HN LEU 51 10.299 -28.910 30.102 1.00 38.61 ATOM 776 CA LEU 51 8.495 -29.021 28.984 1.00 11.33 ATOM 777 HA LEU 51 8.288 -28.325 28.182 1.00 52.42 ATOM 778 CB LEU 51 9.040 -30.325 28.382 1.00 54.40 ATOM 779 HB1 LEU 51 8.230 -30.827 27.870 1.00 38.61 ATOM 780 HB2 LEU 51 9.374 -30.958 29.193 1.00 53.23 ATOM 781 CG LEU 51 10.203 -30.163 27.391 1.00 1.34 ATOM 782 HG LEU 51 11.019 -29.654 27.884 1.00 1.33 ATOM 783 CD1 LEU 51 10.710 -31.528 26.934 1.00 4.11 ATOM 784 HD11 LEU 51 9.910 -32.066 26.443 1.00 11.40 ATOM 785 HD12 LEU 51 11.050 -32.093 27.789 1.00 33.13 ATOM 786 HD13 LEU 51 11.530 -31.395 26.243 1.00 41.43 ATOM 787 CD2 LEU 51 9.772 -29.320 26.193 1.00 13.31 ATOM 788 HD21 LEU 51 10.608 -29.197 25.519 1.00 62.01 ATOM 789 HD22 LEU 51 9.441 -28.349 26.534 1.00 71.11 ATOM 790 HD23 LEU 51 8.962 -29.814 25.675 1.00 52.13 ATOM 791 C LEU 51 7.187 -29.306 29.739 1.00 4.11 ATOM 792 O LEU 51 6.094 -29.107 29.206 1.00 50.34 ATOM 793 N CYS 52 7.307 -29.776 30.980 1.00 34.15 ATOM 794 HN CYS 52 8.203 -29.964 31.331 1.00 38.61 ATOM 795 CA CYS 52 6.139 -30.031 31.830 1.00 12.41 ATOM 796 HA CYS 52 5.520 -30.762 31.328 1.00 33.13 ATOM 797 CB CYS 52 6.575 -30.595 33.186 1.00 33.44 ATOM 798 HB1 CYS 52 5.699 -30.825 33.774 1.00 38.61 ATOM 799 HB2 CYS 52 7.167 -29.854 33.705 1.00 71.44 ATOM 800 SG CYS 52 7.567 -32.103 33.071 1.00 30.44 ATOM 801 HG CYS 52 6.926 -32.963 32.290 1.00 54.31 ATOM 802 C CYS 52 5.324 -28.747 32.028 1.00 54.25 ATOM 803 O CYS 52 4.113 -28.731 31.812 1.00 22.13 ATOM 804 N ARG 53 6.003 -27.666 32.430 1.00 24.43 ATOM 805 HN ARG 53 6.950 -27.761 32.667 1.00 38.61 ATOM 806 CA ARG 53 5.363 -26.347 32.533 1.00 32.32 ATOM 807 HA ARG 53 4.598 -26.408 33.295 1.00 11.04 ATOM 808 CB ARG 53 6.386 -25.270 32.933 1.00 2.45 ATOM 809 HB1 ARG 53 5.902 -24.303 32.896 1.00 38.61 ATOM 810 HB2 ARG 53 7.195 -25.279 32.216 1.00 50.54 ATOM 811 CG ARG 53 6.988 -25.445 34.326 1.00 44.11 ATOM 812 HG1 ARG 53 7.589 -26.345 34.341 1.00 38.61 ATOM 813 HG2 ARG 53 6.188 -25.532 35.047 1.00 51.03 ATOM 814 CD ARG 53 7.868 -24.254 34.702 1.00 52.31 ATOM 815 HD1 ARG 53 7.277 -23.351 34.627 1.00 38.61 ATOM 816 HD2 ARG 53 8.692 -24.197 34.004 1.00 63.21 ATOM 817 NE ARG 53 8.407 -24.360 36.056 1.00 51.12 ATOM 818 HE ARG 53 8.798 -25.215 36.322 1.00 12.21 ATOM 819 CZ ARG 53 8.422 -23.380 36.922 1.00 43.15 ATOM 820 NH1 ARG 53 7.890 -22.235 36.633 1.00 0.22 ATOM 821 HH11 ARG 53 7.466 -22.095 35.747 1.00 71.40 ATOM 822 HH12 ARG 53 7.904 -21.494 37.304 1.00 40.52 ATOM 823 NH2 ARG 53 8.965 -23.553 38.080 1.00 73.31 ATOM 824 HH21 ARG 53 9.376 -24.432 38.310 1.00 24.53 ATOM 825 HH22 ARG 53 8.974 -22.808 38.742 1.00 4.34 ATOM 826 C ARG 53 4.708 -25.950 31.199 1.00 0.45 ATOM 827 O ARG 53 3.555 -25.519 31.160 1.00 4.22 ATOM 828 N LEU 54 5.468 -26.100 30.114 1.00 54.24 ATOM 829 HN LEU 54 6.389 -26.419 30.228 1.00 38.61 ATOM 830 CA LEU 54 4.992 -25.806 28.755 1.00 23.14 ATOM 831 HA LEU 54 4.871 -24.735 28.672 1.00 12.34 ATOM 832 CB LEU 54 6.045 -26.270 27.732 1.00 21.33 ATOM 833 HB1 LEU 54 6.262 -27.312 27.924 1.00 38.61 ATOM 834 HB2 LEU 54 6.948 -25.699 27.899 1.00 54.31 ATOM 835 CG LEU 54 5.655 -26.127 26.249 1.00 71.10 ATOM 836 HG LEU 54 4.732 -26.663 26.076 1.00 41.15 ATOM 837 CD1 LEU 54 5.416 -24.665 25.890 1.00 15.34 ATOM 838 HD11 LEU 54 4.593 -24.281 26.475 1.00 23.22 ATOM 839 HD12 LEU 54 5.177 -24.585 24.839 1.00 11.40 ATOM 840 HD13 LEU 54 6.306 -24.090 26.102 1.00 15.34 ATOM 841 CD2 LEU 54 6.731 -26.739 25.349 1.00 51.43 ATOM 842 HD21 LEU 54 6.425 -26.657 24.315 1.00 4.11 ATOM 843 HD22 LEU 54 6.865 -27.781 25.601 1.00 62.22 ATOM 844 HD23 LEU 54 7.664 -26.212 25.489 1.00 51.12 ATOM 845 C LEU 54 3.641 -26.483 28.465 1.00 12.41 ATOM 846 O LEU 54 2.677 -25.827 28.061 1.00 64.31 ATOM 847 N LEU 55 3.579 -27.792 28.682 1.00 2.43 ATOM 848 HN LEU 55 4.375 -28.258 29.018 1.00 38.61 ATOM 849 CA LEU 55 2.359 -28.560 28.425 1.00 62.44 ATOM 850 HA LEU 55 2.055 -28.357 27.407 1.00 41.04 ATOM 851 CB LEU 55 2.636 -30.062 28.562 1.00 41.03 ATOM 852 HB1 LEU 55 2.904 -30.264 29.590 1.00 38.61 ATOM 853 HB2 LEU 55 3.482 -30.310 27.934 1.00 54.24 ATOM 854 CG LEU 55 1.463 -30.981 28.179 1.00 13.24 ATOM 855 HG LEU 55 0.612 -30.744 28.805 1.00 63.42 ATOM 856 CD1 LEU 55 1.047 -30.755 26.727 1.00 73.35 ATOM 857 HD11 LEU 55 0.727 -29.731 26.599 1.00 43.31 ATOM 858 HD12 LEU 55 0.233 -31.418 26.477 1.00 73.23 ATOM 859 HD13 LEU 55 1.886 -30.953 26.074 1.00 22.24 ATOM 860 CD2 LEU 55 1.826 -32.444 28.416 1.00 64.50 ATOM 861 HD21 LEU 55 2.070 -32.591 29.458 1.00 32.04 ATOM 862 HD22 LEU 55 2.679 -32.712 27.806 1.00 31.23 ATOM 863 HD23 LEU 55 0.987 -33.067 28.154 1.00 75.23 ATOM 864 C LEU 55 1.214 -28.146 29.366 1.00 14.13 ATOM 865 O LEU 55 0.070 -28.026 28.937 1.00 5.13 ATOM 866 N GLU 56 1.529 -27.917 30.643 1.00 45.51 ATOM 867 HN GLU 56 2.459 -28.038 30.933 1.00 38.61 ATOM 868 CA GLU 56 0.517 -27.504 31.632 1.00 5.05 ATOM 869 HA GLU 56 -0.282 -28.233 31.599 1.00 74.24 ATOM 870 CB GLU 56 1.116 -27.502 33.050 1.00 30.42 ATOM 871 HB1 GLU 56 0.382 -27.105 33.739 1.00 38.61 ATOM 872 HB2 GLU 56 1.985 -26.860 33.060 1.00 4.21 ATOM 873 CG GLU 56 1.538 -28.885 33.550 1.00 11.13 ATOM 874 HG1 GLU 56 2.054 -28.770 34.494 1.00 38.61 ATOM 875 HG2 GLU 56 2.215 -29.321 32.829 1.00 74.20 ATOM 876 CD GLU 56 0.364 -29.837 33.748 1.00 71.40 ATOM 877 OE1 GLU 56 -0.088 -30.452 32.761 1.00 61.44 ATOM 878 OE2 GLU 56 -0.105 -29.986 34.898 1.00 50.04 ATOM 879 C GLU 56 -0.081 -26.121 31.307 1.00 72.44 ATOM 880 O GLU 56 -1.179 -25.789 31.756 1.00 24.14 ATOM 881 N ARG 57 0.645 -25.309 30.539 1.00 35.41 ATOM 882 HN ARG 57 1.551 -25.581 30.282 1.00 38.61 ATOM 883 CA ARG 57 0.122 -24.015 30.081 1.00 54.02 ATOM 884 HA ARG 57 -0.360 -23.538 30.922 1.00 45.43 ATOM 885 CB ARG 57 1.255 -23.108 29.581 1.00 62.22 ATOM 886 HB1 ARG 57 0.825 -22.191 29.197 1.00 38.61 ATOM 887 HB2 ARG 57 1.776 -23.611 28.777 1.00 45.05 ATOM 888 CG ARG 57 2.276 -22.744 30.653 1.00 72.24 ATOM 889 HG1 ARG 57 3.024 -22.096 30.215 1.00 38.61 ATOM 890 HG2 ARG 57 2.749 -23.648 31.007 1.00 13.42 ATOM 891 CD ARG 57 1.635 -22.028 31.838 1.00 22.44 ATOM 892 HD1 ARG 57 2.409 -21.790 32.555 1.00 38.61 ATOM 893 HD2 ARG 57 0.914 -22.689 32.297 1.00 42.14 ATOM 894 NE ARG 57 0.956 -20.794 31.441 1.00 12.04 ATOM 895 HE ARG 57 0.396 -20.823 30.642 1.00 3.01 ATOM 896 CZ ARG 57 1.036 -19.670 32.098 1.00 72.35 ATOM 897 NH1 ARG 57 1.802 -19.567 33.135 1.00 31.11 ATOM 898 HH11 ARG 57 2.339 -20.351 33.438 1.00 50.41 ATOM 899 HH12 ARG 57 1.862 -18.702 33.626 1.00 60.35 ATOM 900 NH2 ARG 57 0.369 -18.637 31.702 1.00 13.12 ATOM 901 HH21 ARG 57 -0.208 -18.695 30.892 1.00 54.31 ATOM 902 HH22 ARG 57 0.444 -17.777 32.204 1.00 21.04 ATOM 903 C ARG 57 -0.916 -24.202 28.967 1.00 14.43 ATOM 904 O ARG 57 -1.967 -23.561 28.965 1.00 54.31 ATOM 905 N LEU 58 -0.605 -25.083 28.021 1.00 51.12 ATOM 906 HN LEU 58 0.250 -25.560 28.084 1.00 38.61 ATOM 907 CA LEU 58 -1.494 -25.365 26.890 1.00 71.43 ATOM 908 HA LEU 58 -1.881 -24.425 26.522 1.00 22.43 ATOM 909 CB LEU 58 -0.691 -26.051 25.778 1.00 44.00 ATOM 910 HB1 LEU 58 -1.328 -26.147 24.910 1.00 38.61 ATOM 911 HB2 LEU 58 -0.424 -27.044 26.118 1.00 13.54 ATOM 912 CG LEU 58 0.597 -25.319 25.357 1.00 0.12 ATOM 913 HG LEU 58 1.216 -25.171 26.231 1.00 51.25 ATOM 914 CD1 LEU 58 1.397 -26.155 24.364 1.00 35.14 ATOM 915 HD11 LEU 58 2.307 -25.634 24.106 1.00 74.25 ATOM 916 HD12 LEU 58 0.812 -26.320 23.471 1.00 62.13 ATOM 917 HD13 LEU 58 1.644 -27.107 24.812 1.00 51.34 ATOM 918 CD2 LEU 58 0.275 -23.943 24.775 1.00 61.33 ATOM 919 HD21 LEU 58 1.191 -23.450 24.484 1.00 35.54 ATOM 920 HD22 LEU 58 -0.230 -23.345 25.521 1.00 73.31 ATOM 921 HD23 LEU 58 -0.365 -24.054 23.911 1.00 71.41 ATOM 922 C LEU 58 -2.666 -26.261 27.323 1.00 64.30 ATOM 923 O LEU 58 -3.838 -25.919 27.138 1.00 63.24 ATOM 924 N LEU 59 -2.329 -27.415 27.887 1.00 75.12 ATOM 925 HN LEU 59 -1.381 -27.648 27.941 1.00 38.61 ATOM 926 CA LEU 59 -3.313 -28.358 28.427 1.00 24.34 ATOM 927 HA LEU 59 -4.302 -27.996 28.186 1.00 61.51 ATOM 928 CB LEU 59 -3.114 -29.741 27.788 1.00 3.24 ATOM 929 HB1 LEU 59 -3.864 -30.410 28.185 1.00 38.61 ATOM 930 HB2 LEU 59 -2.140 -30.110 28.082 1.00 43.34 ATOM 931 CG LEU 59 -3.202 -29.779 26.255 1.00 62.43 ATOM 932 HG LEU 59 -2.519 -29.047 25.845 1.00 45.23 ATOM 933 CD1 LEU 59 -2.785 -31.147 25.727 1.00 33.32 ATOM 934 HD11 LEU 59 -3.444 -31.905 26.126 1.00 52.33 ATOM 935 HD12 LEU 59 -1.770 -31.356 26.033 1.00 54.24 ATOM 936 HD13 LEU 59 -2.842 -31.151 24.648 1.00 33.21 ATOM 937 CD2 LEU 59 -4.612 -29.424 25.783 1.00 3.01 ATOM 938 HD21 LEU 59 -5.320 -30.138 26.181 1.00 45.22 ATOM 939 HD22 LEU 59 -4.646 -29.448 24.703 1.00 23.42 ATOM 940 HD23 LEU 59 -4.868 -28.432 26.126 1.00 51.33 ATOM 941 C LEU 59 -3.175 -28.459 29.959 1.00 61.41 ATOM 942 O LEU 59 -2.429 -29.295 30.470 1.00 54.30 ATOM 943 N PRO 60 -3.888 -27.603 30.716 1.00 20.52 ATOM 944 CA PRO 60 -3.747 -27.537 32.184 1.00 41.42 ATOM 945 HA PRO 60 -2.722 -27.330 32.466 1.00 31.15 ATOM 946 CB PRO 60 -4.632 -26.340 32.575 1.00 41.11 ATOM 947 HB1 PRO 60 -4.022 -25.452 32.662 1.00 38.61 ATOM 948 HB2 PRO 60 -5.120 -26.538 33.520 1.00 14.15 ATOM 949 CG PRO 60 -5.620 -26.217 31.461 1.00 71.33 ATOM 950 HG1 PRO 60 -5.954 -25.192 31.373 1.00 38.61 ATOM 951 HG2 PRO 60 -6.462 -26.871 31.642 1.00 35.11 ATOM 952 CD PRO 60 -4.890 -26.640 30.213 1.00 61.24 ATOM 953 HD1 PRO 60 -4.407 -25.791 29.748 1.00 38.61 ATOM 954 HD2 PRO 60 -5.569 -27.114 29.519 1.00 23.13 ATOM 955 C PRO 60 -4.213 -28.818 32.901 1.00 31.15 ATOM 956 O PRO 60 -5.372 -29.226 32.783 1.00 12.13 ATOM 957 N GLY 61 -3.300 -29.453 33.638 1.00 52.03 ATOM 958 HN GLY 61 -2.376 -29.116 33.656 1.00 38.61 ATOM 959 CA GLY 61 -3.644 -30.648 34.403 1.00 34.44 ATOM 960 HA1 GLY 61 -4.659 -30.554 34.766 1.00 38.61 ATOM 961 HA2 GLY 61 -2.979 -30.718 35.250 1.00 21.33 ATOM 962 C GLY 61 -3.528 -31.931 33.589 1.00 64.11 ATOM 963 O GLY 61 -4.388 -32.811 33.674 1.00 63.00 ATOM 964 N THR 62 -2.463 -32.034 32.797 1.00 44.32 ATOM 965 HN THR 62 -1.821 -31.292 32.769 1.00 38.61 ATOM 966 CA THR 62 -2.220 -33.219 31.961 1.00 43.24 ATOM 967 HA THR 62 -3.111 -33.834 31.988 1.00 65.33 ATOM 968 CB THR 62 -1.953 -32.828 30.487 1.00 25.32 ATOM 969 HB THR 62 -1.028 -32.266 30.437 1.00 24.02 ATOM 970 OG1 THR 62 -3.026 -32.012 29.994 1.00 44.43 ATOM 971 HG1 THR 62 -2.912 -31.110 30.319 1.00 11.12 ATOM 972 CG2 THR 62 -1.823 -34.065 29.605 1.00 21.41 ATOM 973 HG21 THR 62 -1.650 -33.762 28.581 1.00 23.01 ATOM 974 HG22 THR 62 -2.734 -34.642 29.658 1.00 10.32 ATOM 975 HG23 THR 62 -0.994 -34.670 29.946 1.00 1.33 ATOM 976 C THR 62 -1.037 -34.049 32.487 1.00 14.51 ATOM 977 O THR 62 -1.069 -35.281 32.455 1.00 71.32 ATOM 978 N ILE 63 0.012 -33.373 32.958 1.00 73.32 ATOM 979 HN ILE 63 0.019 -32.393 32.887 1.00 38.61 ATOM 980 CA ILE 63 1.156 -34.053 33.581 1.00 44.12 ATOM 981 HA ILE 63 1.538 -34.788 32.880 1.00 73.54 ATOM 982 CB ILE 63 2.296 -33.050 33.909 1.00 63.52 ATOM 983 HB ILE 63 1.899 -32.305 34.586 1.00 25.34 ATOM 984 CG1 ILE 63 2.788 -32.347 32.629 1.00 12.54 ATOM 985 HG11 ILE 63 3.538 -31.614 32.896 1.00 38.61 ATOM 986 HG12 ILE 63 1.956 -31.843 32.160 1.00 20.45 ATOM 987 CG2 ILE 63 3.459 -33.754 34.613 1.00 10.35 ATOM 988 HG21 ILE 63 3.111 -34.197 35.535 1.00 40.33 ATOM 989 HG22 ILE 63 4.237 -33.036 34.832 1.00 0.12 ATOM 990 HG23 ILE 63 3.855 -34.527 33.971 1.00 14.04 ATOM 991 CD1 ILE 63 3.397 -33.282 31.602 1.00 70.44 ATOM 992 HD11 ILE 63 3.720 -32.711 30.743 1.00 43.31 ATOM 993 HD12 ILE 63 2.662 -34.011 31.291 1.00 31.32 ATOM 994 HD13 ILE 63 4.247 -33.790 32.034 1.00 0.41 ATOM 995 C ILE 63 0.720 -34.772 34.871 1.00 55.43 ATOM 996 O ILE 63 0.273 -34.132 35.829 1.00 72.44 ATOM 997 N GLU 64 0.851 -36.096 34.894 1.00 21.33 ATOM 998 HN GLU 64 1.293 -36.548 34.141 1.00 38.61 ATOM 999 CA GLU 64 0.377 -36.899 36.025 1.00 62.32 ATOM 1000 HA GLU 64 -0.596 -36.521 36.309 1.00 15.15 ATOM 1001 CB GLU 64 0.227 -38.367 35.599 1.00 10.35 ATOM 1002 HB1 GLU 64 1.209 -38.769 35.384 1.00 38.61 ATOM 1003 HB2 GLU 64 -0.369 -38.407 34.698 1.00 55.21 ATOM 1004 CG GLU 64 -0.434 -39.263 36.643 1.00 3.43 ATOM 1005 HG1 GLU 64 -1.394 -38.839 36.910 1.00 38.61 ATOM 1006 HG2 GLU 64 0.196 -39.301 37.521 1.00 44.41 ATOM 1007 CD GLU 64 -0.649 -40.681 36.134 1.00 4.14 ATOM 1008 OE1 GLU 64 0.307 -41.483 36.171 1.00 34.44 ATOM 1009 OE2 GLU 64 -1.773 -41.000 35.685 1.00 41.25 ATOM 1010 C GLU 64 1.320 -36.770 37.233 1.00 41.32 ATOM 1011 O GLU 64 0.870 -36.654 38.371 1.00 41.24 ATOM 1012 N LYS 65 2.631 -36.786 36.981 1.00 42.55 ATOM 1013 HN LYS 65 2.940 -36.952 36.060 1.00 38.61 ATOM 1014 CA LYS 65 3.622 -36.569 38.048 1.00 11.43 ATOM 1015 HA LYS 65 3.215 -35.830 38.724 1.00 24.05 ATOM 1016 CB LYS 65 3.870 -37.866 38.833 1.00 21.32 ATOM 1017 HB1 LYS 65 4.241 -38.621 38.153 1.00 38.61 ATOM 1018 HB2 LYS 65 2.932 -38.204 39.253 1.00 44.13 ATOM 1019 CG LYS 65 4.878 -37.708 39.971 1.00 32.12 ATOM 1020 HG1 LYS 65 4.549 -36.905 40.619 1.00 38.61 ATOM 1021 HG2 LYS 65 5.842 -37.457 39.551 1.00 24.42 ATOM 1022 CD LYS 65 5.019 -38.984 40.797 1.00 12.23 ATOM 1023 HD1 LYS 65 5.310 -39.794 40.143 1.00 38.61 ATOM 1024 HD2 LYS 65 4.067 -39.214 41.254 1.00 22.30 ATOM 1025 CE LYS 65 6.070 -38.835 41.895 1.00 10.02 ATOM 1026 HE1 LYS 65 7.035 -38.677 41.434 1.00 38.61 ATOM 1027 HE2 LYS 65 6.098 -39.745 42.476 1.00 13.44 ATOM 1028 NZ LYS 65 5.775 -37.695 42.805 1.00 44.13 ATOM 1029 HZ1 LYS 65 5.744 -36.803 42.269 1.00 63.23 ATOM 1030 HZ2 LYS 65 6.511 -37.621 43.532 1.00 54.10 ATOM 1031 HZ3 LYS 65 4.860 -37.834 43.277 1.00 63.40 ATOM 1032 C LYS 65 4.950 -36.034 37.491 1.00 34.23 ATOM 1033 O LYS 65 5.532 -36.613 36.578 1.00 13.22 ATOM 1034 N VAL 66 5.436 -34.936 38.067 1.00 3.04 ATOM 1035 HN VAL 66 4.943 -34.534 38.816 1.00 38.61 ATOM 1036 CA VAL 66 6.689 -34.314 37.621 1.00 43.04 ATOM 1037 HA VAL 66 7.174 -34.996 36.933 1.00 54.12 ATOM 1038 CB VAL 66 6.423 -32.980 36.874 1.00 33.54 ATOM 1039 HB VAL 66 5.733 -33.180 36.065 1.00 45.53 ATOM 1040 CG1 VAL 66 5.777 -31.951 37.800 1.00 11.42 ATOM 1041 HG11 VAL 66 6.439 -31.750 38.631 1.00 14.35 ATOM 1042 HG12 VAL 66 4.839 -32.336 38.173 1.00 65.41 ATOM 1043 HG13 VAL 66 5.599 -31.035 37.255 1.00 73.43 ATOM 1044 CG2 VAL 66 7.712 -32.425 36.270 1.00 71.02 ATOM 1045 HG21 VAL 66 8.126 -33.144 35.578 1.00 54.41 ATOM 1046 HG22 VAL 66 8.426 -32.234 37.058 1.00 10.25 ATOM 1047 HG23 VAL 66 7.499 -31.504 35.747 1.00 12.34 ATOM 1048 C VAL 66 7.638 -34.048 38.800 1.00 25.12 ATOM 1049 O VAL 66 7.200 -33.778 39.920 1.00 71.31 ATOM 1050 N TYR 67 8.939 -34.139 38.542 1.00 60.45 ATOM 1051 HN TYR 67 9.224 -34.425 37.650 1.00 38.61 ATOM 1052 CA TYR 67 9.962 -33.832 39.545 1.00 52.42 ATOM 1053 HA TYR 67 9.492 -33.826 40.520 1.00 5.04 ATOM 1054 CB TYR 67 11.062 -34.902 39.523 1.00 41.12 ATOM 1055 HB1 TYR 67 11.723 -34.746 40.366 1.00 38.61 ATOM 1056 HB2 TYR 67 11.630 -34.805 38.608 1.00 31.45 ATOM 1057 CG TYR 67 10.535 -36.324 39.596 1.00 51.32 ATOM 1058 CD1 TYR 67 10.257 -37.040 38.436 1.00 55.12 ATOM 1059 HD1 TYR 67 10.414 -36.567 37.477 1.00 60.02 ATOM 1060 CD2 TYR 67 10.322 -36.951 40.818 1.00 50.32 ATOM 1061 HD2 TYR 67 10.529 -36.410 41.731 1.00 3.41 ATOM 1062 CE1 TYR 67 9.781 -38.336 38.493 1.00 1.42 ATOM 1063 HE1 TYR 67 9.571 -38.874 37.580 1.00 65.45 ATOM 1064 CE2 TYR 67 9.845 -38.247 40.882 1.00 42.52 ATOM 1065 HE2 TYR 67 9.686 -38.716 41.841 1.00 20.31 ATOM 1066 CZ TYR 67 9.577 -38.936 39.718 1.00 62.10 ATOM 1067 OH TYR 67 9.110 -40.233 39.778 1.00 34.21 ATOM 1068 HH TYR 67 9.534 -40.756 39.083 1.00 12.31 ATOM 1069 C TYR 67 10.579 -32.449 39.273 1.00 22.43 ATOM 1070 O TYR 67 11.449 -32.313 38.409 1.00 15.21 ATOM 1071 N PRO 68 10.128 -31.399 39.996 1.00 44.24 ATOM 1072 CA PRO 68 10.616 -30.015 39.790 1.00 45.40 ATOM 1073 HA PRO 68 10.381 -29.666 38.793 1.00 44.13 ATOM 1074 CB PRO 68 9.822 -29.194 40.822 1.00 25.14 ATOM 1075 HB1 PRO 68 8.993 -28.702 40.333 1.00 38.61 ATOM 1076 HB2 PRO 68 10.465 -28.451 41.276 1.00 72.23 ATOM 1077 CG PRO 68 9.343 -30.191 41.825 1.00 63.25 ATOM 1078 HG1 PRO 68 8.420 -29.849 42.275 1.00 38.61 ATOM 1079 HG2 PRO 68 10.097 -30.338 42.587 1.00 43.52 ATOM 1080 CD PRO 68 9.114 -31.468 41.064 1.00 1.34 ATOM 1081 HD1 PRO 68 8.116 -31.492 40.648 1.00 38.61 ATOM 1082 HD2 PRO 68 9.279 -32.326 41.702 1.00 74.52 ATOM 1083 C PRO 68 12.129 -29.874 40.023 1.00 55.12 ATOM 1084 O PRO 68 12.788 -29.039 39.406 1.00 24.32 ATOM 1085 N GLU 69 12.668 -30.696 40.919 1.00 64.40 ATOM 1086 HN GLU 69 12.083 -31.303 41.414 1.00 38.61 ATOM 1087 CA GLU 69 14.109 -30.726 41.183 1.00 43.35 ATOM 1088 HA GLU 69 14.593 -30.139 40.414 1.00 13.34 ATOM 1089 CB GLU 69 14.422 -30.091 42.549 1.00 13.53 ATOM 1090 HB1 GLU 69 14.205 -29.032 42.494 1.00 38.61 ATOM 1091 HB2 GLU 69 15.476 -30.218 42.758 1.00 14.32 ATOM 1092 CG GLU 69 13.631 -30.679 43.715 1.00 64.34 ATOM 1093 HG1 GLU 69 13.872 -31.729 43.806 1.00 38.61 ATOM 1094 HG2 GLU 69 12.575 -30.573 43.507 1.00 3.42 ATOM 1095 CD GLU 69 13.940 -29.992 45.035 1.00 43.31 ATOM 1096 OE1 GLU 69 14.882 -30.422 45.735 1.00 64.42 ATOM 1097 OE2 GLU 69 13.247 -29.009 45.375 1.00 11.20 ATOM 1098 C GLU 69 14.651 -32.165 41.097 1.00 4.32 ATOM 1099 O GLU 69 14.714 -32.889 42.095 1.00 65.23 ATOM 1100 N PRO 70 15.020 -32.609 39.881 1.00 14.51 ATOM 1101 CA PRO 70 15.528 -33.971 39.654 1.00 1.42 ATOM 1102 HA PRO 70 14.881 -34.710 40.111 1.00 11.04 ATOM 1103 CB PRO 70 15.465 -34.112 38.128 1.00 43.31 ATOM 1104 HB1 PRO 70 14.512 -34.534 37.843 1.00 38.61 ATOM 1105 HB2 PRO 70 16.264 -34.755 37.785 1.00 60.43 ATOM 1106 CG PRO 70 15.618 -32.720 37.610 1.00 71.54 ATOM 1107 HG1 PRO 70 15.122 -32.628 36.654 1.00 38.61 ATOM 1108 HG2 PRO 70 16.669 -32.478 37.510 1.00 1.42 ATOM 1109 CD PRO 70 14.965 -31.820 38.630 1.00 55.14 ATOM 1110 HD1 PRO 70 13.940 -31.611 38.352 1.00 38.61 ATOM 1111 HD2 PRO 70 15.521 -30.898 38.732 1.00 23.23 ATOM 1112 C PRO 70 16.964 -34.171 40.169 1.00 32.54 ATOM 1113 O PRO 70 17.891 -33.464 39.766 1.00 12.03 ATOM 1114 N ARG 71 17.140 -35.137 41.065 1.00 23.01 ATOM 1115 HN ARG 71 16.360 -35.653 41.367 1.00 38.61 ATOM 1116 CA ARG 71 18.460 -35.458 41.614 1.00 62.34 ATOM 1117 HA ARG 71 19.028 -34.539 41.679 1.00 61.11 ATOM 1118 CB ARG 71 18.310 -36.053 43.026 1.00 22.33 ATOM 1119 HB1 ARG 71 17.697 -36.942 42.965 1.00 38.61 ATOM 1120 HB2 ARG 71 17.811 -35.330 43.657 1.00 42.23 ATOM 1121 CG ARG 71 19.635 -36.430 43.686 1.00 32.12 ATOM 1122 HG1 ARG 71 20.158 -37.130 43.048 1.00 38.61 ATOM 1123 HG2 ARG 71 19.428 -36.898 44.638 1.00 51.31 ATOM 1124 CD ARG 71 20.521 -35.211 43.920 1.00 44.22 ATOM 1125 HD1 ARG 71 20.044 -34.568 44.647 1.00 38.61 ATOM 1126 HD2 ARG 71 20.630 -34.675 42.987 1.00 11.34 ATOM 1127 NE ARG 71 21.849 -35.577 44.410 1.00 64.13 ATOM 1128 HE ARG 71 22.082 -36.527 44.421 1.00 22.52 ATOM 1129 CZ ARG 71 22.744 -34.713 44.801 1.00 62.42 ATOM 1130 NH1 ARG 71 22.459 -33.452 44.859 1.00 74.05 ATOM 1131 HH11 ARG 71 21.548 -33.134 44.606 1.00 33.32 ATOM 1132 HH12 ARG 71 23.155 -32.799 45.149 1.00 24.34 ATOM 1133 NH2 ARG 71 23.922 -35.110 45.153 1.00 30.40 ATOM 1134 HH21 ARG 71 24.152 -36.081 45.123 1.00 5.21 ATOM 1135 HH22 ARG 71 24.599 -34.443 45.458 1.00 2.11 ATOM 1136 C ARG 71 19.210 -36.444 40.700 1.00 12.23 ATOM 1137 O ARG 71 20.392 -36.261 40.397 1.00 23.12 ATOM 1138 N SER 72 18.508 -37.481 40.257 1.00 34.44 ATOM 1139 HN SER 72 17.559 -37.547 40.498 1.00 38.61 ATOM 1140 CA SER 72 19.102 -38.528 39.415 1.00 44.52 ATOM 1141 HA SER 72 20.173 -38.378 39.402 1.00 15.21 ATOM 1142 CB SER 72 18.805 -39.913 40.005 1.00 62.43 ATOM 1143 HB1 SER 72 19.277 -40.672 39.396 1.00 38.61 ATOM 1144 HB2 SER 72 17.738 -40.076 40.016 1.00 11.51 ATOM 1145 OG SER 72 19.294 -40.029 41.337 1.00 63.24 ATOM 1146 HG SER 72 18.635 -39.676 41.953 1.00 60.25 ATOM 1147 C SER 72 18.583 -38.454 37.970 1.00 13.21 ATOM 1148 O SER 72 17.615 -37.750 37.676 1.00 51.45 ATOM 1149 N GLU 73 19.229 -39.205 37.078 1.00 1.35 ATOM 1150 HN GLU 73 19.951 -39.792 37.390 1.00 38.61 ATOM 1151 CA GLU 73 18.910 -39.186 35.642 1.00 31.24 ATOM 1152 HA GLU 73 19.075 -38.181 35.281 1.00 31.02 ATOM 1153 CB GLU 73 19.855 -40.137 34.897 1.00 72.13 ATOM 1154 HB1 GLU 73 19.747 -41.130 35.313 1.00 38.61 ATOM 1155 HB2 GLU 73 20.873 -39.806 35.051 1.00 71.14 ATOM 1156 CG GLU 73 19.604 -40.219 33.397 1.00 5.31 ATOM 1157 HG1 GLU 73 19.764 -39.242 32.963 1.00 38.61 ATOM 1158 HG2 GLU 73 18.578 -40.519 33.231 1.00 13.25 ATOM 1159 CD GLU 73 20.523 -41.214 32.711 1.00 51.12 ATOM 1160 OE1 GLU 73 21.714 -40.891 32.520 1.00 52.22 ATOM 1161 OE2 GLU 73 20.065 -42.324 32.370 1.00 53.30 ATOM 1162 C GLU 73 17.451 -39.582 35.356 1.00 4.35 ATOM 1163 O GLU 73 16.737 -38.879 34.634 1.00 64.33 ATOM 1164 N SER 74 17.017 -40.711 35.920 1.00 42.42 ATOM 1165 HN SER 74 17.610 -41.192 36.533 1.00 38.61 ATOM 1166 CA SER 74 15.675 -41.255 35.651 1.00 71.32 ATOM 1167 HA SER 74 15.641 -41.511 34.601 1.00 25.02 ATOM 1168 CB SER 74 15.429 -42.530 36.469 1.00 32.05 ATOM 1169 HB1 SER 74 14.434 -42.904 36.266 1.00 38.61 ATOM 1170 HB2 SER 74 15.520 -42.308 37.522 1.00 12.03 ATOM 1171 OG SER 74 16.368 -43.542 36.135 1.00 45.34 ATOM 1172 HG SER 74 16.539 -44.089 36.913 1.00 50.31 ATOM 1173 C SER 74 14.566 -40.230 35.928 1.00 3.15 ATOM 1174 O SER 74 13.556 -40.199 35.225 1.00 35.23 ATOM 1175 N GLU 75 14.756 -39.391 36.944 1.00 41.52 ATOM 1176 HN GLU 75 15.550 -39.500 37.514 1.00 38.61 ATOM 1177 CA GLU 75 13.803 -38.313 37.243 1.00 52.14 ATOM 1178 HA GLU 75 12.839 -38.768 37.428 1.00 51.41 ATOM 1179 CB GLU 75 14.238 -37.551 38.501 1.00 71.32 ATOM 1180 HB1 GLU 75 13.579 -36.706 38.643 1.00 38.61 ATOM 1181 HB2 GLU 75 15.246 -37.187 38.357 1.00 34.34 ATOM 1182 CG GLU 75 14.212 -38.394 39.771 1.00 72.34 ATOM 1183 HG1 GLU 75 14.884 -39.232 39.644 1.00 38.61 ATOM 1184 HG2 GLU 75 13.208 -38.763 39.924 1.00 12.11 ATOM 1185 CD GLU 75 14.637 -37.610 41.000 1.00 5.13 ATOM 1186 OE1 GLU 75 13.771 -36.981 41.640 1.00 63.23 ATOM 1187 OE2 GLU 75 15.837 -37.626 41.335 1.00 15.22 ATOM 1188 C GLU 75 13.664 -37.343 36.057 1.00 23.51 ATOM 1189 O GLU 75 12.555 -37.093 35.578 1.00 15.50 ATOM 1190 N CYS 76 14.792 -36.812 35.580 1.00 64.05 ATOM 1191 HN CYS 76 15.642 -37.022 36.023 1.00 38.61 ATOM 1192 CA CYS 76 14.794 -35.916 34.410 1.00 4.32 ATOM 1193 HA CYS 76 14.259 -35.017 34.681 1.00 75.12 ATOM 1194 CB CYS 76 16.232 -35.542 34.021 1.00 65.43 ATOM 1195 HB1 CYS 76 16.204 -34.868 33.176 1.00 38.61 ATOM 1196 HB2 CYS 76 16.766 -36.438 33.739 1.00 63.42 ATOM 1197 SG CYS 76 17.182 -34.734 35.337 1.00 62.35 ATOM 1198 HG CYS 76 17.413 -33.481 34.964 1.00 53.12 ATOM 1199 C CYS 76 14.092 -36.571 33.209 1.00 72.13 ATOM 1200 O CYS 76 13.241 -35.962 32.557 1.00 45.42 ATOM 1201 N LEU 77 14.451 -37.826 32.940 1.00 24.13 ATOM 1202 HN LEU 77 15.146 -38.246 33.491 1.00 38.61 ATOM 1203 CA LEU 77 13.849 -38.598 31.847 1.00 5.23 ATOM 1204 HA LEU 77 14.036 -38.064 30.926 1.00 30.33 ATOM 1205 CB LEU 77 14.511 -39.981 31.758 1.00 63.40 ATOM 1206 HB1 LEU 77 14.008 -40.552 30.988 1.00 38.61 ATOM 1207 HB2 LEU 77 14.369 -40.483 32.704 1.00 11.15 ATOM 1208 CG LEU 77 16.014 -39.964 31.439 1.00 20.24 ATOM 1209 HG LEU 77 16.523 -39.365 32.182 1.00 75.13 ATOM 1210 CD1 LEU 77 16.598 -41.372 31.495 1.00 41.42 ATOM 1211 HD11 LEU 77 17.657 -41.332 31.280 1.00 54.33 ATOM 1212 HD12 LEU 77 16.106 -41.999 30.765 1.00 24.13 ATOM 1213 HD13 LEU 77 16.448 -41.785 32.482 1.00 35.42 ATOM 1214 CD2 LEU 77 16.267 -39.333 30.073 1.00 3.52 ATOM 1215 HD21 LEU 77 15.875 -38.326 30.062 1.00 30.34 ATOM 1216 HD22 LEU 77 15.778 -39.918 29.306 1.00 44.14 ATOM 1217 HD23 LEU 77 17.330 -39.305 29.881 1.00 32.22 ATOM 1218 C LEU 77 12.328 -38.752 32.026 1.00 61.23 ATOM 1219 O LEU 77 11.570 -38.666 31.057 1.00 60.44 ATOM 1220 N SER 78 11.891 -38.975 33.268 1.00 15.04 ATOM 1221 HN SER 78 12.545 -39.042 33.995 1.00 38.61 ATOM 1222 CA SER 78 10.457 -39.118 33.578 1.00 5.53 ATOM 1223 HA SER 78 10.072 -39.927 32.974 1.00 74.21 ATOM 1224 CB SER 78 10.243 -39.462 35.060 1.00 52.02 ATOM 1225 HB1 SER 78 9.183 -39.544 35.259 1.00 38.61 ATOM 1226 HB2 SER 78 10.661 -38.678 35.674 1.00 2.14 ATOM 1227 OG SER 78 10.867 -40.690 35.403 1.00 4.33 ATOM 1228 HG SER 78 11.766 -40.516 35.704 1.00 52.11 ATOM 1229 C SER 78 9.684 -37.842 33.235 1.00 43.15 ATOM 1230 O SER 78 8.622 -37.902 32.617 1.00 14.33 ATOM 1231 N ASN 79 10.230 -36.688 33.626 1.00 65.41 ATOM 1232 HN ASN 79 11.068 -36.706 34.139 1.00 38.61 ATOM 1233 CA ASN 79 9.607 -35.391 33.320 1.00 42.32 ATOM 1234 HA ASN 79 8.665 -35.344 33.849 1.00 24.00 ATOM 1235 CB ASN 79 10.503 -34.242 33.796 1.00 40.43 ATOM 1236 HB1 ASN 79 10.018 -33.299 33.581 1.00 38.61 ATOM 1237 HB2 ASN 79 11.445 -34.283 33.265 1.00 52.03 ATOM 1238 CG ASN 79 10.790 -34.303 35.282 1.00 52.43 ATOM 1239 OD1 ASN 79 10.005 -34.829 36.058 1.00 40.33 ATOM 1240 ND2 ASN 79 11.915 -33.758 35.694 1.00 75.01 ATOM 1241 HD21 ASN 79 12.502 -33.348 35.027 1.00 13.32 ATOM 1242 HD22 ASN 79 12.110 -33.779 36.652 1.00 44.24 ATOM 1243 C ASN 79 9.338 -35.247 31.814 1.00 75.13 ATOM 1244 O ASN 79 8.274 -34.784 31.395 1.00 0.21 ATOM 1245 N ILE 80 10.315 -35.654 31.004 1.00 51.43 ATOM 1246 HN ILE 80 11.159 -35.965 31.398 1.00 38.61 ATOM 1247 CA ILE 80 10.168 -35.635 29.547 1.00 63.52 ATOM 1248 HA ILE 80 9.854 -34.640 29.259 1.00 70.31 ATOM 1249 CB ILE 80 11.510 -35.950 28.839 1.00 72.43 ATOM 1250 HB ILE 80 11.776 -36.974 29.065 1.00 43.22 ATOM 1251 CG1 ILE 80 12.624 -35.018 29.351 1.00 62.34 ATOM 1252 HG11 ILE 80 12.698 -35.117 30.425 1.00 38.61 ATOM 1253 HG12 ILE 80 12.374 -33.996 29.107 1.00 20.24 ATOM 1254 CG2 ILE 80 11.357 -35.826 27.323 1.00 52.32 ATOM 1255 HG21 ILE 80 11.058 -34.819 27.069 1.00 53.32 ATOM 1256 HG22 ILE 80 10.605 -36.520 26.976 1.00 33.54 ATOM 1257 HG23 ILE 80 12.299 -36.053 26.845 1.00 14.33 ATOM 1258 CD1 ILE 80 13.992 -35.311 28.765 1.00 15.42 ATOM 1259 HD11 ILE 80 13.954 -35.212 27.690 1.00 74.40 ATOM 1260 HD12 ILE 80 14.290 -36.317 29.024 1.00 34.20 ATOM 1261 HD13 ILE 80 14.710 -34.610 29.164 1.00 41.34 ATOM 1262 C ILE 80 9.104 -36.647 29.081 1.00 40.33 ATOM 1263 O ILE 80 8.252 -36.328 28.250 1.00 32.32 ATOM 1264 N ARG 81 9.156 -37.865 29.627 1.00 34.43 ATOM 1265 HN ARG 81 9.852 -38.058 30.291 1.00 38.61 ATOM 1266 CA ARG 81 8.195 -38.921 29.269 1.00 14.22 ATOM 1267 HA ARG 81 8.278 -39.084 28.202 1.00 0.24 ATOM 1268 CB ARG 81 8.539 -40.234 29.994 1.00 33.31 ATOM 1269 HB1 ARG 81 7.758 -40.955 29.796 1.00 38.61 ATOM 1270 HB2 ARG 81 8.574 -40.044 31.058 1.00 75.30 ATOM 1271 CG ARG 81 9.878 -40.854 29.577 1.00 54.30 ATOM 1272 HG1 ARG 81 10.087 -41.698 30.219 1.00 38.61 ATOM 1273 HG2 ARG 81 10.657 -40.115 29.696 1.00 45.53 ATOM 1274 CD ARG 81 9.873 -41.329 28.122 1.00 32.05 ATOM 1275 HD1 ARG 81 9.660 -40.485 27.482 1.00 38.61 ATOM 1276 HD2 ARG 81 9.099 -42.075 28.002 1.00 31.45 ATOM 1277 NE ARG 81 11.160 -41.913 27.730 1.00 42.45 ATOM 1278 HE ARG 81 11.853 -41.978 28.418 1.00 13.23 ATOM 1279 CZ ARG 81 11.446 -42.352 26.529 1.00 42.21 ATOM 1280 NH1 ARG 81 10.577 -42.293 25.570 1.00 53.15 ATOM 1281 HH11 ARG 81 9.668 -41.914 25.739 1.00 62.04 ATOM 1282 HH12 ARG 81 10.816 -42.635 24.659 1.00 40.10 ATOM 1283 NH2 ARG 81 12.618 -42.845 26.292 1.00 1.35 ATOM 1284 HH21 ARG 81 13.298 -42.886 27.023 1.00 15.34 ATOM 1285 HH22 ARG 81 12.839 -43.199 25.382 1.00 51.02 ATOM 1286 C ARG 81 6.746 -38.495 29.581 1.00 63.43 ATOM 1287 O ARG 81 5.819 -38.844 28.848 1.00 13.13 ATOM 1288 N GLU 82 6.559 -37.736 30.661 1.00 35.43 ATOM 1289 HN GLU 82 7.318 -37.557 31.257 1.00 38.61 ATOM 1290 CA GLU 82 5.242 -37.173 30.999 1.00 52.44 ATOM 1291 HA GLU 82 4.536 -37.993 31.039 1.00 75.40 ATOM 1292 CB GLU 82 5.289 -36.494 32.374 1.00 14.33 ATOM 1293 HB1 GLU 82 4.426 -35.849 32.478 1.00 38.61 ATOM 1294 HB2 GLU 82 6.184 -35.890 32.434 1.00 54.11 ATOM 1295 CG GLU 82 5.293 -37.475 33.539 1.00 41.51 ATOM 1296 HG1 GLU 82 5.403 -36.920 34.460 1.00 38.61 ATOM 1297 HG2 GLU 82 6.129 -38.148 33.426 1.00 3.52 ATOM 1298 CD GLU 82 4.010 -38.289 33.609 1.00 43.31 ATOM 1299 OE1 GLU 82 3.991 -39.436 33.107 1.00 1.10 ATOM 1300 OE2 GLU 82 3.006 -37.773 34.143 1.00 13.02 ATOM 1301 C GLU 82 4.770 -36.176 29.932 1.00 21.54 ATOM 1302 O GLU 82 3.610 -36.199 29.509 1.00 13.44 ATOM 1303 N PHE 83 5.674 -35.295 29.509 1.00 20.03 ATOM 1304 HN PHE 83 6.550 -35.262 29.954 1.00 38.61 ATOM 1305 CA PHE 83 5.401 -34.372 28.400 1.00 3.24 ATOM 1306 HA PHE 83 4.603 -33.710 28.706 1.00 12.54 ATOM 1307 CB PHE 83 6.661 -33.541 28.102 1.00 14.35 ATOM 1308 HB1 PHE 83 7.491 -34.212 27.927 1.00 38.61 ATOM 1309 HB2 PHE 83 6.885 -32.926 28.961 1.00 33.22 ATOM 1310 CG PHE 83 6.539 -32.630 26.905 1.00 41.53 ATOM 1311 CD1 PHE 83 7.185 -32.937 25.713 1.00 4.44 ATOM 1312 HD1 PHE 83 7.776 -33.838 25.647 1.00 25.22 ATOM 1313 CD2 PHE 83 5.784 -31.468 26.971 1.00 35.32 ATOM 1314 HD2 PHE 83 5.276 -31.217 27.892 1.00 3.30 ATOM 1315 CE1 PHE 83 7.078 -32.104 24.617 1.00 35.30 ATOM 1316 HE1 PHE 83 7.585 -32.355 23.697 1.00 64.42 ATOM 1317 CE2 PHE 83 5.675 -30.632 25.876 1.00 31.43 ATOM 1318 HE2 PHE 83 5.085 -29.730 25.941 1.00 13.03 ATOM 1319 CZ PHE 83 6.323 -30.952 24.698 1.00 63.51 ATOM 1320 HZ PHE 83 6.238 -30.299 23.840 1.00 12.35 ATOM 1321 C PHE 83 4.956 -35.150 27.149 1.00 63.43 ATOM 1322 O PHE 83 3.998 -34.775 26.468 1.00 74.21 ATOM 1323 N LEU 84 5.654 -36.249 26.875 1.00 63.30 ATOM 1324 HN LEU 84 6.425 -36.469 27.442 1.00 38.61 ATOM 1325 CA LEU 84 5.318 -37.138 25.760 1.00 2.24 ATOM 1326 HA LEU 84 5.316 -36.552 24.852 1.00 62.23 ATOM 1327 CB LEU 84 6.378 -38.240 25.643 1.00 3.54 ATOM 1328 HB1 LEU 84 6.152 -38.839 24.771 1.00 38.61 ATOM 1329 HB2 LEU 84 6.309 -38.871 26.520 1.00 23.14 ATOM 1330 CG LEU 84 7.825 -37.737 25.522 1.00 13.10 ATOM 1331 HG LEU 84 8.043 -37.098 26.365 1.00 41.10 ATOM 1332 CD1 LEU 84 8.811 -38.901 25.562 1.00 15.00 ATOM 1333 HD11 LEU 84 8.632 -39.558 24.723 1.00 54.13 ATOM 1334 HD12 LEU 84 8.683 -39.452 26.483 1.00 52.25 ATOM 1335 HD13 LEU 84 9.823 -38.521 25.511 1.00 70.34 ATOM 1336 CD2 LEU 84 8.004 -36.909 24.251 1.00 65.33 ATOM 1337 HD21 LEU 84 7.379 -36.029 24.303 1.00 71.45 ATOM 1338 HD22 LEU 84 7.723 -37.499 23.390 1.00 33.54 ATOM 1339 HD23 LEU 84 9.038 -36.608 24.158 1.00 52.42 ATOM 1340 C LEU 84 3.928 -37.766 25.954 1.00 2.42 ATOM 1341 O LEU 84 3.138 -37.849 25.012 1.00 13.21 ATOM 1342 N ARG 85 3.641 -38.199 27.186 1.00 63.31 ATOM 1343 HN ARG 85 4.323 -38.115 27.886 1.00 38.61 ATOM 1344 CA ARG 85 2.340 -38.792 27.527 1.00 52.22 ATOM 1345 HA ARG 85 2.239 -39.715 26.975 1.00 32.45 ATOM 1346 CB ARG 85 2.258 -39.095 29.037 1.00 64.33 ATOM 1347 HB1 ARG 85 2.360 -38.167 29.582 1.00 38.61 ATOM 1348 HB2 ARG 85 3.076 -39.750 29.306 1.00 44.25 ATOM 1349 CG ARG 85 0.943 -39.762 29.458 1.00 52.50 ATOM 1350 HG1 ARG 85 1.075 -40.836 29.433 1.00 38.61 ATOM 1351 HG2 ARG 85 0.169 -39.485 28.757 1.00 12.23 ATOM 1352 CD ARG 85 0.498 -39.354 30.863 1.00 33.11 ATOM 1353 HD1 ARG 85 -0.497 -39.744 31.035 1.00 38.61 ATOM 1354 HD2 ARG 85 0.464 -38.275 30.914 1.00 41.41 ATOM 1355 NE ARG 85 1.388 -39.841 31.916 1.00 74.52 ATOM 1356 HE ARG 85 2.330 -39.566 31.886 1.00 11.44 ATOM 1357 CZ ARG 85 0.996 -40.578 32.922 1.00 44.35 ATOM 1358 NH1 ARG 85 -0.232 -40.996 32.996 1.00 11.32 ATOM 1359 HH11 ARG 85 -0.884 -40.756 32.284 1.00 61.42 ATOM 1360 HH12 ARG 85 -0.519 -41.558 33.770 1.00 54.24 ATOM 1361 NH2 ARG 85 1.832 -40.896 33.855 1.00 43.22 ATOM 1362 HH21 ARG 85 2.781 -40.573 33.801 1.00 11.44 ATOM 1363 HH22 ARG 85 1.530 -41.449 34.630 1.00 14.22 ATOM 1364 C ARG 85 1.187 -37.850 27.147 1.00 42.14 ATOM 1365 O ARG 85 0.266 -38.230 26.424 1.00 15.10 ATOM 1366 N GLY 86 1.253 -36.616 27.642 1.00 11.34 ATOM 1367 HN GLY 86 2.037 -36.357 28.176 1.00 38.61 ATOM 1368 CA GLY 86 0.188 -35.650 27.403 1.00 1.43 ATOM 1369 HA1 GLY 86 0.402 -34.758 27.970 1.00 38.61 ATOM 1370 HA2 GLY 86 -0.743 -36.066 27.761 1.00 71.22 ATOM 1371 C GLY 86 0.020 -35.273 25.933 1.00 51.10 ATOM 1372 O GLY 86 -1.080 -35.362 25.384 1.00 4.43 ATOM 1373 N CYS 87 1.106 -34.852 25.290 1.00 24.21 ATOM 1374 HN CYS 87 1.960 -34.795 25.775 1.00 38.61 ATOM 1375 CA CYS 87 1.058 -34.458 23.875 1.00 54.23 ATOM 1376 HA CYS 87 0.335 -33.659 23.782 1.00 15.40 ATOM 1377 CB CYS 87 2.428 -33.936 23.424 1.00 64.42 ATOM 1378 HB1 CYS 87 2.378 -33.668 22.378 1.00 38.61 ATOM 1379 HB2 CYS 87 3.163 -34.717 23.556 1.00 52.14 ATOM 1380 SG CYS 87 3.006 -32.484 24.332 1.00 61.51 ATOM 1381 HG CYS 87 4.246 -32.223 23.938 1.00 24.10 ATOM 1382 C CYS 87 0.620 -35.625 22.973 1.00 33.43 ATOM 1383 O CYS 87 -0.167 -35.444 22.041 1.00 65.40 ATOM 1384 N GLY 88 1.128 -36.820 23.264 1.00 64.41 ATOM 1385 HN GLY 88 1.731 -36.906 24.031 1.00 38.61 ATOM 1386 CA GLY 88 0.813 -37.998 22.457 1.00 70.01 ATOM 1387 HA1 GLY 88 1.520 -38.777 22.703 1.00 38.61 ATOM 1388 HA2 GLY 88 0.933 -37.746 21.413 1.00 32.31 ATOM 1389 C GLY 88 -0.604 -38.538 22.668 1.00 3.42 ATOM 1390 O GLY 88 -1.217 -39.062 21.737 1.00 43.12 ATOM 1391 N ALA 89 -1.127 -38.415 23.888 1.00 13.32 ATOM 1392 HN ALA 89 -0.600 -37.973 24.588 1.00 38.61 ATOM 1393 CA ALA 89 -2.461 -38.946 24.222 1.00 44.23 ATOM 1394 HA ALA 89 -2.648 -39.800 23.583 1.00 3.52 ATOM 1395 CB ALA 89 -2.480 -39.438 25.666 1.00 72.52 ATOM 1396 HB1 ALA 89 -2.313 -38.606 26.335 1.00 51.42 ATOM 1397 HB2 ALA 89 -1.700 -40.174 25.807 1.00 15.13 ATOM 1398 HB3 ALA 89 -3.439 -39.886 25.884 1.00 5.22 ATOM 1399 C ALA 89 -3.580 -37.913 24.000 1.00 73.24 ATOM 1400 O ALA 89 -4.628 -38.229 23.437 1.00 32.44 ATOM 1401 N SER 90 -3.360 -36.683 24.458 1.00 63.40 ATOM 1402 HN SER 90 -2.499 -36.482 24.879 1.00 38.61 ATOM 1403 CA SER 90 -4.375 -35.618 24.360 1.00 71.14 ATOM 1404 HA SER 90 -5.344 -36.071 24.523 1.00 3.03 ATOM 1405 CB SER 90 -4.141 -34.561 25.445 1.00 54.23 ATOM 1406 HB1 SER 90 -3.149 -34.145 25.334 1.00 38.61 ATOM 1407 HB2 SER 90 -4.229 -35.020 26.418 1.00 34.45 ATOM 1408 OG SER 90 -5.087 -33.510 25.358 1.00 73.51 ATOM 1409 HG SER 90 -5.126 -33.044 26.204 1.00 1.30 ATOM 1410 C SER 90 -4.376 -34.950 22.977 1.00 52.11 ATOM 1411 O SER 90 -5.397 -34.920 22.287 1.00 32.45 ATOM 1412 N LEU 91 -3.227 -34.410 22.574 1.00 45.13 ATOM 1413 HN LEU 91 -2.452 -34.445 23.171 1.00 38.61 ATOM 1414 CA LEU 91 -3.093 -33.758 21.263 1.00 23.20 ATOM 1415 HA LEU 91 -4.026 -33.255 21.054 1.00 64.51 ATOM 1416 CB LEU 91 -1.974 -32.708 21.308 1.00 65.13 ATOM 1417 HB1 LEU 91 -1.632 -32.529 20.297 1.00 38.61 ATOM 1418 HB2 LEU 91 -1.150 -33.115 21.879 1.00 64.00 ATOM 1419 CG LEU 91 -2.374 -31.357 21.925 1.00 74.34 ATOM 1420 HG LEU 91 -2.900 -31.531 22.854 1.00 30.23 ATOM 1421 CD1 LEU 91 -1.141 -30.513 22.233 1.00 51.45 ATOM 1422 HD11 LEU 91 -0.593 -30.324 21.321 1.00 52.54 ATOM 1423 HD12 LEU 91 -0.507 -31.043 22.930 1.00 1.51 ATOM 1424 HD13 LEU 91 -1.445 -29.573 22.670 1.00 71.45 ATOM 1425 CD2 LEU 91 -3.311 -30.604 20.980 1.00 41.12 ATOM 1426 HD21 LEU 91 -3.591 -29.659 21.423 1.00 55.03 ATOM 1427 HD22 LEU 91 -4.198 -31.195 20.804 1.00 51.32 ATOM 1428 HD23 LEU 91 -2.806 -30.425 20.039 1.00 40.40 ATOM 1429 C LEU 91 -2.836 -34.773 20.139 1.00 5.44 ATOM 1430 O LEU 91 -3.001 -34.453 18.961 1.00 23.32 ATOM 1431 N ARG 92 -2.417 -35.986 20.508 1.00 34.51 ATOM 1432 HN ARG 92 -2.215 -36.149 21.453 1.00 38.61 ATOM 1433 CA ARG 92 -2.249 -37.084 19.543 1.00 63.12 ATOM 1434 HA ARG 92 -1.888 -37.943 20.088 1.00 31.14 ATOM 1435 CB ARG 92 -3.622 -37.426 18.926 1.00 73.03 ATOM 1436 HB1 ARG 92 -3.923 -36.605 18.287 1.00 38.61 ATOM 1437 HB2 ARG 92 -4.344 -37.517 19.726 1.00 31.12 ATOM 1438 CG ARG 92 -3.672 -38.714 18.100 1.00 52.22 ATOM 1439 HG1 ARG 92 -2.969 -38.629 17.283 1.00 38.61 ATOM 1440 HG2 ARG 92 -4.668 -38.830 17.699 1.00 0.11 ATOM 1441 CD ARG 92 -3.329 -39.961 18.918 1.00 5.35 ATOM 1442 HD1 ARG 92 -3.661 -40.836 18.375 1.00 38.61 ATOM 1443 HD2 ARG 92 -3.849 -39.912 19.863 1.00 72.22 ATOM 1444 NE ARG 92 -1.894 -40.079 19.176 1.00 52.23 ATOM 1445 HE ARG 92 -1.557 -39.746 20.031 1.00 34.33 ATOM 1446 CZ ARG 92 -1.046 -40.601 18.333 1.00 73.32 ATOM 1447 NH1 ARG 92 -1.455 -41.075 17.198 1.00 5.33 ATOM 1448 HH11 ARG 92 -2.420 -41.045 16.966 1.00 53.51 ATOM 1449 HH12 ARG 92 -0.795 -41.460 16.555 1.00 60.02 ATOM 1450 NH2 ARG 92 0.212 -40.654 18.623 1.00 52.14 ATOM 1451 HH21 ARG 92 0.544 -40.294 19.495 1.00 2.11 ATOM 1452 HH22 ARG 92 0.853 -41.053 17.974 1.00 54.13 ATOM 1453 C ARG 92 -1.214 -36.727 18.450 1.00 60.10 ATOM 1454 O ARG 92 -1.261 -37.239 17.331 1.00 12.41 ATOM 1455 N LEU 93 -0.260 -35.862 18.795 1.00 73.43 ATOM 1456 HN LEU 93 -0.232 -35.528 19.715 1.00 38.61 ATOM 1457 CA LEU 93 0.755 -35.405 17.836 1.00 64.51 ATOM 1458 HA LEU 93 0.339 -35.531 16.845 1.00 34.01 ATOM 1459 CB LEU 93 1.045 -33.904 18.049 1.00 70.30 ATOM 1460 HB1 LEU 93 0.152 -33.356 17.781 1.00 38.61 ATOM 1461 HB2 LEU 93 1.833 -33.614 17.366 1.00 64.22 ATOM 1462 CG LEU 93 1.460 -33.474 19.477 1.00 5.12 ATOM 1463 HG LEU 93 0.848 -34.007 20.191 1.00 70.54 ATOM 1464 CD1 LEU 93 2.918 -33.820 19.774 1.00 35.32 ATOM 1465 HD11 LEU 93 3.050 -34.891 19.730 1.00 54.30 ATOM 1466 HD12 LEU 93 3.177 -33.468 20.762 1.00 4.33 ATOM 1467 HD13 LEU 93 3.559 -33.347 19.044 1.00 24.11 ATOM 1468 CD2 LEU 93 1.216 -31.981 19.685 1.00 42.31 ATOM 1469 HD21 LEU 93 1.497 -31.707 20.692 1.00 61.23 ATOM 1470 HD22 LEU 93 0.168 -31.761 19.535 1.00 23.44 ATOM 1471 HD23 LEU 93 1.806 -31.414 18.980 1.00 42.14 ATOM 1472 C LEU 93 2.046 -36.239 17.915 1.00 11.15 ATOM 1473 O LEU 93 2.241 -37.021 18.847 1.00 22.01 ATOM 1474 N GLU 94 2.922 -36.063 16.925 1.00 32.43 ATOM 1475 HN GLU 94 2.704 -35.431 16.207 1.00 38.61 ATOM 1476 CA GLU 94 4.200 -36.786 16.869 1.00 25.55 ATOM 1477 HA GLU 94 3.977 -37.843 16.928 1.00 10.13 ATOM 1478 CB GLU 94 4.900 -36.508 15.528 1.00 33.14 ATOM 1479 HB1 GLU 94 4.270 -36.872 14.727 1.00 38.61 ATOM 1480 HB2 GLU 94 5.836 -37.049 15.506 1.00 33.12 ATOM 1481 CG GLU 94 5.192 -35.031 15.273 1.00 42.33 ATOM 1482 HG1 GLU 94 5.943 -34.699 15.977 1.00 38.61 ATOM 1483 HG2 GLU 94 4.283 -34.465 15.428 1.00 11.20 ATOM 1484 CD GLU 94 5.696 -34.768 13.862 1.00 60.12 ATOM 1485 OE1 GLU 94 4.868 -34.428 12.988 1.00 70.21 ATOM 1486 OE2 GLU 94 6.913 -34.914 13.621 1.00 15.11 ATOM 1487 C GLU 94 5.120 -36.413 18.048 1.00 10.04 ATOM 1488 O GLU 94 5.342 -35.234 18.336 1.00 75.13 ATOM 1489 N THR 95 5.654 -37.427 18.726 1.00 71.31 ATOM 1490 HN THR 95 5.479 -38.343 18.425 1.00 38.61 ATOM 1491 CA THR 95 6.491 -37.218 19.919 1.00 63.34 ATOM 1492 HA THR 95 6.487 -36.160 20.150 1.00 21.53 ATOM 1493 CB THR 95 5.913 -37.974 21.142 1.00 73.55 ATOM 1494 HB THR 95 6.596 -37.859 21.975 1.00 42.54 ATOM 1495 OG1 THR 95 5.780 -39.372 20.840 1.00 23.14 ATOM 1496 HG1 THR 95 6.044 -39.894 21.607 1.00 31.24 ATOM 1497 CG2 THR 95 4.555 -37.407 21.548 1.00 42.15 ATOM 1498 HG21 THR 95 3.861 -37.508 20.726 1.00 62.20 ATOM 1499 HG22 THR 95 4.662 -36.362 21.802 1.00 73.03 ATOM 1500 HG23 THR 95 4.179 -37.947 22.405 1.00 62.02 ATOM 1501 C THR 95 7.949 -37.664 19.701 1.00 23.21 ATOM 1502 O THR 95 8.349 -38.021 18.592 1.00 73.41 ATOM 1503 N PHE 96 8.737 -37.617 20.777 1.00 5.13 ATOM 1504 HN PHE 96 8.353 -37.309 21.622 1.00 38.61 ATOM 1505 CA PHE 96 10.156 -38.008 20.757 1.00 74.11 ATOM 1506 HA PHE 96 10.322 -38.613 19.876 1.00 62.14 ATOM 1507 CB PHE 96 11.056 -36.762 20.686 1.00 74.02 ATOM 1508 HB1 PHE 96 10.850 -36.234 19.764 1.00 38.61 ATOM 1509 HB2 PHE 96 12.089 -37.077 20.684 1.00 23.21 ATOM 1510 CG PHE 96 10.872 -35.793 21.829 1.00 34.14 ATOM 1511 CD1 PHE 96 9.878 -34.824 21.783 1.00 71.13 ATOM 1512 HD1 PHE 96 9.229 -34.772 20.921 1.00 63.43 ATOM 1513 CD2 PHE 96 11.696 -35.844 22.945 1.00 65.34 ATOM 1514 HD2 PHE 96 12.474 -36.591 22.997 1.00 63.43 ATOM 1515 CE1 PHE 96 9.709 -33.931 22.823 1.00 42.23 ATOM 1516 HE1 PHE 96 8.932 -33.183 22.772 1.00 25.02 ATOM 1517 CE2 PHE 96 11.530 -34.953 23.988 1.00 13.33 ATOM 1518 HE2 PHE 96 12.179 -35.004 24.851 1.00 34.35 ATOM 1519 CZ PHE 96 10.537 -33.995 23.927 1.00 53.42 ATOM 1520 HZ PHE 96 10.407 -33.298 24.743 1.00 1.43 ATOM 1521 C PHE 96 10.497 -38.852 21.997 1.00 33.23 ATOM 1522 O PHE 96 9.614 -39.175 22.787 1.00 34.02 ATOM 1523 N ASP 97 11.761 -39.243 22.154 1.00 5.23 ATOM 1524 HN ASP 97 12.433 -38.991 21.483 1.00 38.61 ATOM 1525 CA ASP 97 12.179 -40.015 23.332 1.00 40.41 ATOM 1526 HA ASP 97 11.285 -40.329 23.854 1.00 73.02 ATOM 1527 CB ASP 97 12.962 -41.262 22.914 1.00 72.30 ATOM 1528 HB1 ASP 97 13.407 -41.714 23.791 1.00 38.61 ATOM 1529 HB2 ASP 97 13.747 -40.975 22.228 1.00 34.01 ATOM 1530 CG ASP 97 12.082 -42.291 22.238 1.00 71.32 ATOM 1531 OD1 ASP 97 12.073 -42.350 20.989 1.00 72.32 ATOM 1532 OD2 ASP 97 11.389 -43.044 22.957 1.00 13.13 ATOM 1533 C ASP 97 13.024 -39.166 24.291 1.00 62.33 ATOM 1534 O ASP 97 13.882 -38.395 23.869 1.00 71.14 ATOM 1535 N ALA 98 12.789 -39.332 25.590 1.00 52.21 ATOM 1536 HN ALA 98 12.087 -39.954 25.868 1.00 38.61 ATOM 1537 CA ALA 98 13.542 -38.605 26.618 1.00 41.35 ATOM 1538 HA ALA 98 13.295 -37.555 26.532 1.00 74.43 ATOM 1539 CB ALA 98 13.115 -39.078 28.001 1.00 43.04 ATOM 1540 HB1 ALA 98 13.590 -38.468 28.757 1.00 53.40 ATOM 1541 HB2 ALA 98 13.407 -40.110 28.137 1.00 12.04 ATOM 1542 HB3 ALA 98 12.041 -38.995 28.095 1.00 41.50 ATOM 1543 C ALA 98 15.060 -38.770 26.445 1.00 34.43 ATOM 1544 O ALA 98 15.839 -37.891 26.812 1.00 5.13 ATOM 1545 N ASN 99 15.469 -39.899 25.869 1.00 71.33 ATOM 1546 HN ASN 99 14.800 -40.541 25.561 1.00 38.61 ATOM 1547 CA ASN 99 16.890 -40.204 25.688 1.00 71.24 ATOM 1548 HA ASN 99 17.376 -40.046 26.641 1.00 40.01 ATOM 1549 CB ASN 99 17.073 -41.673 25.289 1.00 71.14 ATOM 1550 HB1 ASN 99 18.129 -41.882 25.176 1.00 38.61 ATOM 1551 HB2 ASN 99 16.574 -41.851 24.347 1.00 72.10 ATOM 1552 CG ASN 99 16.509 -42.625 26.328 1.00 4.42 ATOM 1553 OD1 ASN 99 16.448 -42.311 27.514 1.00 64.14 ATOM 1554 ND2 ASN 99 16.086 -43.794 25.900 1.00 55.13 ATOM 1555 HD21 ASN 99 16.153 -43.993 24.945 1.00 61.51 ATOM 1556 HD22 ASN 99 15.725 -44.423 26.561 1.00 11.31 ATOM 1557 C ASN 99 17.558 -39.286 24.649 1.00 24.23 ATOM 1558 O ASN 99 18.642 -38.752 24.896 1.00 72.22 ATOM 1559 N ASP 100 16.919 -39.087 23.492 1.00 22.43 ATOM 1560 HN ASP 100 16.029 -39.475 23.357 1.00 38.61 ATOM 1561 CA ASP 100 17.523 -38.274 22.429 1.00 43.22 ATOM 1562 HA ASP 100 18.535 -38.638 22.304 1.00 72.03 ATOM 1563 CB ASP 100 16.788 -38.454 21.087 1.00 61.10 ATOM 1564 HB1 ASP 100 17.004 -39.442 20.704 1.00 38.61 ATOM 1565 HB2 ASP 100 17.159 -37.722 20.385 1.00 54.52 ATOM 1566 CG ASP 100 15.279 -38.293 21.175 1.00 10.33 ATOM 1567 OD1 ASP 100 14.561 -39.304 20.986 1.00 0.51 ATOM 1568 OD2 ASP 100 14.810 -37.168 21.407 1.00 43.33 ATOM 1569 C ASP 100 17.616 -36.789 22.825 1.00 5.33 ATOM 1570 O ASP 100 18.552 -36.095 22.429 1.00 11.41 ATOM 1571 N LEU 101 16.659 -36.308 23.613 1.00 33.13 ATOM 1572 HN LEU 101 15.880 -36.868 23.816 1.00 38.61 ATOM 1573 CA LEU 101 16.726 -34.942 24.149 1.00 32.34 ATOM 1574 HA LEU 101 17.003 -34.282 23.337 1.00 24.40 ATOM 1575 CB LEU 101 15.352 -34.511 24.686 1.00 44.10 ATOM 1576 HB1 LEU 101 15.030 -35.241 25.416 1.00 38.61 ATOM 1577 HB2 LEU 101 14.651 -34.521 23.862 1.00 20.31 ATOM 1578 CG LEU 101 15.307 -33.117 25.344 1.00 32.54 ATOM 1579 HG LEU 101 15.990 -33.105 26.184 1.00 31.14 ATOM 1580 CD1 LEU 101 15.752 -32.026 24.368 1.00 4.10 ATOM 1581 HD11 LEU 101 15.091 -32.013 23.513 1.00 43.12 ATOM 1582 HD12 LEU 101 16.761 -32.225 24.039 1.00 1.32 ATOM 1583 HD13 LEU 101 15.721 -31.065 24.862 1.00 72.25 ATOM 1584 CD2 LEU 101 13.907 -32.823 25.878 1.00 62.03 ATOM 1585 HD21 LEU 101 13.889 -31.838 26.322 1.00 15.12 ATOM 1586 HD22 LEU 101 13.644 -33.557 26.626 1.00 72.24 ATOM 1587 HD23 LEU 101 13.194 -32.865 25.067 1.00 25.43 ATOM 1588 C LEU 101 17.784 -34.823 25.262 1.00 75.30 ATOM 1589 O LEU 101 18.669 -33.965 25.203 1.00 3.11 ATOM 1590 N TYR 102 17.705 -35.707 26.255 1.00 11.31 ATOM 1591 HN TYR 102 17.020 -36.408 26.210 1.00 38.61 ATOM 1592 CA TYR 102 18.599 -35.664 27.423 1.00 42.41 ATOM 1593 HA TYR 102 18.487 -34.694 27.887 1.00 72.44 ATOM 1594 CB TYR 102 18.181 -36.744 28.432 1.00 34.41 ATOM 1595 HB1 TYR 102 18.402 -37.717 28.014 1.00 38.61 ATOM 1596 HB2 TYR 102 17.117 -36.671 28.602 1.00 64.15 ATOM 1597 CG TYR 102 18.872 -36.648 29.783 1.00 62.05 ATOM 1598 CD1 TYR 102 18.448 -35.725 30.734 1.00 61.12 ATOM 1599 HD1 TYR 102 17.620 -35.071 30.498 1.00 73.52 ATOM 1600 CD2 TYR 102 19.940 -37.479 30.113 1.00 14.10 ATOM 1601 HD2 TYR 102 20.287 -38.205 29.390 1.00 11.44 ATOM 1602 CE1 TYR 102 19.063 -35.633 31.968 1.00 31.44 ATOM 1603 HE1 TYR 102 18.716 -34.907 32.689 1.00 23.13 ATOM 1604 CE2 TYR 102 20.559 -37.391 31.347 1.00 62.10 ATOM 1605 HE2 TYR 102 21.385 -38.045 31.584 1.00 13.12 ATOM 1606 CZ TYR 102 20.117 -36.464 32.270 1.00 64.02 ATOM 1607 OH TYR 102 20.731 -36.372 33.502 1.00 3.23 ATOM 1608 HH TYR 102 21.688 -36.349 33.378 1.00 74.10 ATOM 1609 C TYR 102 20.076 -35.854 27.029 1.00 45.22 ATOM 1610 O TYR 102 20.974 -35.336 27.691 1.00 11.43 ATOM 1611 N GLN 103 20.319 -36.608 25.957 1.00 20.40 ATOM 1612 HN GLN 103 19.562 -37.009 25.477 1.00 38.61 ATOM 1613 CA GLN 103 21.687 -36.872 25.481 1.00 33.12 ATOM 1614 HA GLN 103 22.365 -36.660 26.295 1.00 11.02 ATOM 1615 CB GLN 103 21.827 -38.355 25.102 1.00 72.13 ATOM 1616 HB1 GLN 103 22.802 -38.515 24.662 1.00 38.61 ATOM 1617 HB2 GLN 103 21.069 -38.600 24.371 1.00 24.13 ATOM 1618 CG GLN 103 21.673 -39.308 26.285 1.00 64.43 ATOM 1619 HG1 GLN 103 21.628 -40.322 25.912 1.00 38.61 ATOM 1620 HG2 GLN 103 20.753 -39.077 26.802 1.00 43.24 ATOM 1621 CD GLN 103 22.824 -39.206 27.273 1.00 42.22 ATOM 1622 OE1 GLN 103 23.811 -39.925 27.170 1.00 74.52 ATOM 1623 NE2 GLN 103 22.715 -38.303 28.227 1.00 54.13 ATOM 1624 HE21 GLN 103 21.910 -37.750 28.255 1.00 64.51 ATOM 1625 HE22 GLN 103 23.454 -38.221 28.866 1.00 52.22 ATOM 1626 C GLN 103 22.072 -35.980 24.285 1.00 73.25 ATOM 1627 O GLN 103 23.185 -36.074 23.764 1.00 1.44 ATOM 1628 N GLY 104 21.150 -35.119 23.853 1.00 13.10 ATOM 1629 HN GLY 104 20.277 -35.091 24.298 1.00 38.61 ATOM 1630 CA GLY 104 21.423 -34.214 22.737 1.00 40.42 ATOM 1631 HA1 GLY 104 22.266 -33.588 22.996 1.00 38.61 ATOM 1632 HA2 GLY 104 20.560 -33.582 22.586 1.00 44.00 ATOM 1633 C GLY 104 21.733 -34.940 21.428 1.00 71.32 ATOM 1634 O GLY 104 22.672 -34.584 20.716 1.00 63.33 ATOM 1635 N GLN 105 20.945 -35.965 21.120 1.00 1.03 ATOM 1636 HN GLN 105 20.223 -36.204 21.735 1.00 38.61 ATOM 1637 CA GLN 105 21.128 -36.752 19.897 1.00 52.13 ATOM 1638 HA GLN 105 22.146 -36.609 19.559 1.00 2.41 ATOM 1639 CB GLN 105 20.916 -38.245 20.201 1.00 12.52 ATOM 1640 HB1 GLN 105 21.070 -38.810 19.292 1.00 38.61 ATOM 1641 HB2 GLN 105 19.897 -38.391 20.533 1.00 22.14 ATOM 1642 CG GLN 105 21.850 -38.800 21.274 1.00 64.21 ATOM 1643 HG1 GLN 105 21.562 -39.821 21.488 1.00 38.61 ATOM 1644 HG2 GLN 105 21.743 -38.206 22.171 1.00 73.21 ATOM 1645 CD GLN 105 23.312 -38.786 20.854 1.00 73.34 ATOM 1646 OE1 GLN 105 23.635 -38.911 19.678 1.00 11.03 ATOM 1647 NE2 GLN 105 24.208 -38.627 21.808 1.00 33.41 ATOM 1648 HE21 GLN 105 23.892 -38.527 22.728 1.00 13.13 ATOM 1649 HE22 GLN 105 25.153 -38.625 21.553 1.00 72.44 ATOM 1650 C GLN 105 20.170 -36.291 18.780 1.00 72.02 ATOM 1651 O GLN 105 20.522 -35.453 17.947 1.00 45.42 ATOM 1652 N ASN 106 18.947 -36.819 18.782 1.00 1.12 ATOM 1653 HN ASN 106 18.699 -37.439 19.496 1.00 38.61 ATOM 1654 CA ASN 106 17.961 -36.492 17.744 1.00 42.42 ATOM 1655 HA ASN 106 18.495 -36.304 16.823 1.00 60.11 ATOM 1656 CB ASN 106 17.001 -37.666 17.528 1.00 34.10 ATOM 1657 HB1 ASN 106 16.268 -37.388 16.782 1.00 38.61 ATOM 1658 HB2 ASN 106 16.491 -37.880 18.456 1.00 60.23 ATOM 1659 CG ASN 106 17.692 -38.931 17.068 1.00 15.34 ATOM 1660 OD1 ASN 106 18.713 -38.888 16.393 1.00 11.52 ATOM 1661 ND2 ASN 106 17.134 -40.069 17.430 1.00 55.31 ATOM 1662 HD21 ASN 106 16.323 -40.036 17.972 1.00 64.32 ATOM 1663 HD22 ASN 106 17.551 -40.899 17.131 1.00 11.53 ATOM 1664 C ASN 106 17.150 -35.239 18.105 1.00 72.32 ATOM 1665 O ASN 106 15.943 -35.318 18.339 1.00 32.05 ATOM 1666 N PHE 107 17.806 -34.082 18.139 1.00 55.32 ATOM 1667 HN PHE 107 18.770 -34.068 17.951 1.00 38.61 ATOM 1668 CA PHE 107 17.114 -32.830 18.465 1.00 65.35 ATOM 1669 HA PHE 107 16.665 -32.954 19.441 1.00 3.02 ATOM 1670 CB PHE 107 18.100 -31.658 18.525 1.00 12.42 ATOM 1671 HB1 PHE 107 18.529 -31.505 17.543 1.00 38.61 ATOM 1672 HB2 PHE 107 18.891 -31.895 19.224 1.00 10.11 ATOM 1673 CG PHE 107 17.456 -30.366 18.966 1.00 53.05 ATOM 1674 CD1 PHE 107 17.197 -30.131 20.310 1.00 65.13 ATOM 1675 HD1 PHE 107 17.472 -30.877 21.041 1.00 20.14 ATOM 1676 CD2 PHE 107 17.095 -29.395 18.040 1.00 73.13 ATOM 1677 HD2 PHE 107 17.291 -29.564 16.991 1.00 3.31 ATOM 1678 CE1 PHE 107 16.595 -28.959 20.719 1.00 63.35 ATOM 1679 HE1 PHE 107 16.400 -28.789 21.767 1.00 62.11 ATOM 1680 CE2 PHE 107 16.494 -28.220 18.446 1.00 0.25 ATOM 1681 HE2 PHE 107 16.218 -27.472 17.716 1.00 13.12 ATOM 1682 CZ PHE 107 16.243 -28.003 19.787 1.00 11.52 ATOM 1683 HZ PHE 107 15.772 -27.086 20.107 1.00 3.43 ATOM 1684 C PHE 107 15.994 -32.528 17.456 1.00 11.53 ATOM 1685 O PHE 107 15.008 -31.871 17.788 1.00 52.52 ATOM 1686 N ASN 108 16.148 -33.018 16.227 1.00 61.43 ATOM 1687 HN ASN 108 16.973 -33.497 16.007 1.00 38.61 ATOM 1688 CA ASN 108 15.121 -32.848 15.194 1.00 42.53 ATOM 1689 HA ASN 108 14.989 -31.785 15.045 1.00 53.35 ATOM 1690 CB ASN 108 15.586 -33.471 13.871 1.00 44.42 ATOM 1691 HB1 ASN 108 16.404 -32.884 13.477 1.00 38.61 ATOM 1692 HB2 ASN 108 14.769 -33.455 13.164 1.00 31.44 ATOM 1693 CG ASN 108 16.056 -34.905 14.030 1.00 53.32 ATOM 1694 OD1 ASN 108 15.275 -35.845 13.950 1.00 44.03 ATOM 1695 ND2 ASN 108 17.343 -35.086 14.247 1.00 50.12 ATOM 1696 HD21 ASN 108 17.921 -34.296 14.298 1.00 55.24 ATOM 1697 HD22 ASN 108 17.672 -36.007 14.328 1.00 40.31 ATOM 1698 C ASN 108 13.769 -33.448 15.631 1.00 10.20 ATOM 1699 O ASN 108 12.713 -32.865 15.373 1.00 53.21 ATOM 1700 N LYS 109 13.808 -34.603 16.308 1.00 21.03 ATOM 1701 HN LYS 109 14.670 -35.049 16.442 1.00 38.61 ATOM 1702 CA LYS 109 12.590 -35.215 16.862 1.00 22.01 ATOM 1703 HA LYS 109 11.909 -35.406 16.044 1.00 12.34 ATOM 1704 CB LYS 109 12.921 -36.545 17.565 1.00 2.43 ATOM 1705 HB1 LYS 109 12.027 -36.911 18.053 1.00 38.61 ATOM 1706 HB2 LYS 109 13.675 -36.361 18.317 1.00 63.23 ATOM 1707 CG LYS 109 13.436 -37.641 16.635 1.00 50.34 ATOM 1708 HG1 LYS 109 14.295 -37.267 16.095 1.00 38.61 ATOM 1709 HG2 LYS 109 12.656 -37.901 15.933 1.00 51.42 ATOM 1710 CD LYS 109 13.845 -38.896 17.412 1.00 14.14 ATOM 1711 HD1 LYS 109 14.612 -38.628 18.124 1.00 38.61 ATOM 1712 HD2 LYS 109 14.240 -39.624 16.718 1.00 75.12 ATOM 1713 CE LYS 109 12.674 -39.520 18.163 1.00 14.31 ATOM 1714 HE1 LYS 109 11.945 -39.864 17.444 1.00 38.61 ATOM 1715 HE2 LYS 109 12.229 -38.771 18.797 1.00 14.24 ATOM 1716 NZ LYS 109 13.099 -40.670 19.006 1.00 54.20 ATOM 1717 HZ1 LYS 109 13.784 -40.355 19.723 1.00 24.40 ATOM 1718 HZ2 LYS 109 13.543 -41.402 18.417 1.00 74.44 ATOM 1719 HZ3 LYS 109 12.276 -41.087 19.489 1.00 2.31 ATOM 1720 C LYS 109 11.917 -34.261 17.858 1.00 52.42 ATOM 1721 O LYS 109 10.718 -33.981 17.766 1.00 4.23 ATOM 1722 N VAL 110 12.713 -33.759 18.799 1.00 42.44 ATOM 1723 HN VAL 110 13.655 -34.034 18.816 1.00 38.61 ATOM 1724 CA VAL 110 12.235 -32.816 19.814 1.00 35.24 ATOM 1725 HA VAL 110 11.472 -33.311 20.398 1.00 44.51 ATOM 1726 CB VAL 110 13.385 -32.397 20.766 1.00 73.04 ATOM 1727 HB VAL 110 14.095 -31.810 20.196 1.00 74.41 ATOM 1728 CG1 VAL 110 12.862 -31.523 21.907 1.00 21.41 ATOM 1729 HG11 VAL 110 13.684 -31.233 22.546 1.00 71.03 ATOM 1730 HG12 VAL 110 12.137 -32.077 22.485 1.00 40.53 ATOM 1731 HG13 VAL 110 12.395 -30.636 21.500 1.00 74.42 ATOM 1732 CG2 VAL 110 14.117 -33.627 21.302 1.00 43.14 ATOM 1733 HG21 VAL 110 13.417 -34.270 21.817 1.00 73.44 ATOM 1734 HG22 VAL 110 14.891 -33.317 21.989 1.00 22.13 ATOM 1735 HG23 VAL 110 14.563 -34.169 20.480 1.00 53.42 ATOM 1736 C VAL 110 11.638 -31.552 19.172 1.00 54.41 ATOM 1737 O VAL 110 10.482 -31.202 19.414 1.00 55.01 ATOM 1738 N LEU 111 12.436 -30.888 18.339 1.00 1.31 ATOM 1739 HN LEU 111 13.324 -31.254 18.147 1.00 38.61 ATOM 1740 CA LEU 111 12.035 -29.631 17.701 1.00 21.15 ATOM 1741 HA LEU 111 11.843 -28.916 18.488 1.00 34.14 ATOM 1742 CB LEU 111 13.178 -29.097 16.821 1.00 12.41 ATOM 1743 HB1 LEU 111 13.326 -29.789 16.004 1.00 38.61 ATOM 1744 HB2 LEU 111 14.081 -29.075 17.418 1.00 13.42 ATOM 1745 CG LEU 111 12.959 -27.690 16.229 1.00 53.24 ATOM 1746 HG LEU 111 12.061 -27.697 15.628 1.00 15.50 ATOM 1747 CD1 LEU 111 12.766 -26.658 17.337 1.00 74.31 ATOM 1748 HD11 LEU 111 11.891 -26.911 17.917 1.00 51.11 ATOM 1749 HD12 LEU 111 12.635 -25.678 16.899 1.00 32.34 ATOM 1750 HD13 LEU 111 13.634 -26.650 17.982 1.00 12.24 ATOM 1751 CD2 LEU 111 14.127 -27.296 15.325 1.00 3.34 ATOM 1752 HD21 LEU 111 14.232 -28.023 14.533 1.00 52.33 ATOM 1753 HD22 LEU 111 15.038 -27.261 15.904 1.00 71.01 ATOM 1754 HD23 LEU 111 13.937 -26.323 14.894 1.00 11.12 ATOM 1755 C LEU 111 10.752 -29.795 16.868 1.00 33.13 ATOM 1756 O LEU 111 9.844 -28.972 16.955 1.00 74.11 ATOM 1757 N SER 112 10.674 -30.863 16.068 1.00 54.01 ATOM 1758 HN SER 112 11.427 -31.494 16.035 1.00 38.61 ATOM 1759 CA SER 112 9.480 -31.119 15.238 1.00 12.55 ATOM 1760 HA SER 112 9.331 -30.254 14.607 1.00 73.12 ATOM 1761 CB SER 112 9.676 -32.353 14.347 1.00 12.41 ATOM 1762 HB1 SER 112 9.801 -33.230 14.967 1.00 38.61 ATOM 1763 HB2 SER 112 10.556 -32.218 13.735 1.00 43.22 ATOM 1764 OG SER 112 8.555 -32.552 13.494 1.00 71.45 ATOM 1765 HG SER 112 8.214 -33.453 13.612 1.00 3.31 ATOM 1766 C SER 112 8.229 -31.312 16.106 1.00 73.33 ATOM 1767 O SER 112 7.138 -30.841 15.767 1.00 3.15 ATOM 1768 N SER 113 8.392 -32.006 17.230 1.00 73.42 ATOM 1769 HN SER 113 9.270 -32.405 17.423 1.00 38.61 ATOM 1770 CA SER 113 7.293 -32.196 18.184 1.00 53.41 ATOM 1771 HA SER 113 6.457 -32.616 17.644 1.00 62.12 ATOM 1772 CB SER 113 7.705 -33.170 19.298 1.00 52.51 ATOM 1773 HB1 SER 113 8.519 -32.743 19.865 1.00 38.61 ATOM 1774 HB2 SER 113 8.026 -34.103 18.857 1.00 22.11 ATOM 1775 OG SER 113 6.624 -33.434 20.179 1.00 13.31 ATOM 1776 HG SER 113 5.978 -33.997 19.734 1.00 32.42 ATOM 1777 C SER 113 6.860 -30.855 18.795 1.00 53.11 ATOM 1778 O SER 113 5.667 -30.572 18.911 1.00 52.44 ATOM 1779 N LEU 114 7.840 -30.025 19.162 1.00 21.51 ATOM 1780 HN LEU 114 8.770 -30.317 19.057 1.00 38.61 ATOM 1781 CA LEU 114 7.573 -28.692 19.725 1.00 21.34 ATOM 1782 HA LEU 114 6.932 -28.823 20.585 1.00 61.31 ATOM 1783 CB LEU 114 8.884 -28.032 20.181 1.00 24.34 ATOM 1784 HB1 LEU 114 8.658 -27.032 20.525 1.00 38.61 ATOM 1785 HB2 LEU 114 9.539 -27.957 19.323 1.00 63.52 ATOM 1786 CG LEU 114 9.639 -28.766 21.302 1.00 61.12 ATOM 1787 HG LEU 114 9.885 -29.763 20.964 1.00 34.22 ATOM 1788 CD1 LEU 114 10.950 -28.053 21.631 1.00 22.05 ATOM 1789 HD11 LEU 114 11.580 -28.034 20.754 1.00 33.40 ATOM 1790 HD12 LEU 114 11.459 -28.579 22.426 1.00 52.42 ATOM 1791 HD13 LEU 114 10.742 -27.040 21.946 1.00 13.15 ATOM 1792 CD2 LEU 114 8.766 -28.895 22.551 1.00 61.30 ATOM 1793 HD21 LEU 114 7.868 -29.446 22.308 1.00 40.02 ATOM 1794 HD22 LEU 114 8.497 -27.913 22.911 1.00 31.00 ATOM 1795 HD23 LEU 114 9.312 -29.422 23.320 1.00 10.33 ATOM 1796 C LEU 114 6.857 -27.781 18.713 1.00 53.21 ATOM 1797 O LEU 114 5.871 -27.120 19.047 1.00 11.14 ATOM 1798 N VAL 115 7.357 -27.750 17.477 1.00 25.13 ATOM 1799 HN VAL 115 8.162 -28.271 17.277 1.00 38.61 ATOM 1800 CA VAL 115 6.737 -26.952 16.411 1.00 20.32 ATOM 1801 HA VAL 115 6.747 -25.916 16.730 1.00 33.34 ATOM 1802 CB VAL 115 7.534 -27.055 15.083 1.00 22.02 ATOM 1803 HB VAL 115 7.584 -28.097 14.799 1.00 72.04 ATOM 1804 CG1 VAL 115 6.836 -26.288 13.960 1.00 71.15 ATOM 1805 HG11 VAL 115 7.418 -26.368 13.052 1.00 32.32 ATOM 1806 HG12 VAL 115 6.741 -25.248 14.235 1.00 22.31 ATOM 1807 HG13 VAL 115 5.853 -26.706 13.793 1.00 61.25 ATOM 1808 CG2 VAL 115 8.961 -26.542 15.271 1.00 24.54 ATOM 1809 HG21 VAL 115 9.507 -26.648 14.345 1.00 0.52 ATOM 1810 HG22 VAL 115 9.453 -27.113 16.045 1.00 4.40 ATOM 1811 HG23 VAL 115 8.935 -25.500 15.556 1.00 73.34 ATOM 1812 C VAL 115 5.280 -27.380 16.176 1.00 50.44 ATOM 1813 O VAL 115 4.381 -26.542 16.096 1.00 13.45 ATOM 1814 N THR 116 5.051 -28.689 16.079 1.00 13.14 ATOM 1815 HN THR 116 5.814 -29.306 16.078 1.00 38.61 ATOM 1816 CA THR 116 3.688 -29.231 15.966 1.00 22.33 ATOM 1817 HA THR 116 3.239 -28.824 15.068 1.00 35.32 ATOM 1818 CB THR 116 3.688 -30.776 15.860 1.00 52.20 ATOM 1819 HB THR 116 4.122 -31.182 16.765 1.00 41.42 ATOM 1820 OG1 THR 116 4.481 -31.198 14.737 1.00 54.31 ATOM 1821 HG1 THR 116 5.337 -31.515 15.057 1.00 31.23 ATOM 1822 CG2 THR 116 2.266 -31.322 15.717 1.00 42.12 ATOM 1823 HG21 THR 116 1.669 -31.012 16.566 1.00 32.11 ATOM 1824 HG22 THR 116 2.297 -32.401 15.677 1.00 41.32 ATOM 1825 HG23 THR 116 1.823 -30.942 14.807 1.00 62.13 ATOM 1826 C THR 116 2.840 -28.828 17.178 1.00 4.34 ATOM 1827 O THR 116 1.698 -28.398 17.035 1.00 74.10 ATOM 1828 N LEU 117 3.423 -28.969 18.368 1.00 1.51 ATOM 1829 HN LEU 117 4.328 -29.344 18.407 1.00 38.61 ATOM 1830 CA LEU 117 2.764 -28.592 19.626 1.00 31.42 ATOM 1831 HA LEU 117 1.918 -29.250 19.770 1.00 3.13 ATOM 1832 CB LEU 117 3.749 -28.779 20.791 1.00 31.14 ATOM 1833 HB1 LEU 117 4.594 -28.127 20.621 1.00 38.61 ATOM 1834 HB2 LEU 117 4.103 -29.801 20.771 1.00 44.33 ATOM 1835 CG LEU 117 3.196 -28.489 22.195 1.00 4.44 ATOM 1836 HG LEU 117 2.760 -27.499 22.203 1.00 62.02 ATOM 1837 CD1 LEU 117 2.101 -29.481 22.566 1.00 54.33 ATOM 1838 HD11 LEU 117 2.507 -30.482 22.574 1.00 43.44 ATOM 1839 HD12 LEU 117 1.302 -29.422 21.842 1.00 70.34 ATOM 1840 HD13 LEU 117 1.715 -29.241 23.546 1.00 70.31 ATOM 1841 CD2 LEU 117 4.320 -28.513 23.229 1.00 3.30 ATOM 1842 HD21 LEU 117 4.788 -29.487 23.235 1.00 1.25 ATOM 1843 HD22 LEU 117 3.914 -28.303 24.208 1.00 22.21 ATOM 1844 HD23 LEU 117 5.056 -27.762 22.979 1.00 23.54 ATOM 1845 C LEU 117 2.266 -27.136 19.583 1.00 10.34 ATOM 1846 O LEU 117 1.158 -26.828 20.025 1.00 12.13 ATOM 1847 N ASN 118 3.099 -26.247 19.048 1.00 74.34 ATOM 1848 HN ASN 118 3.994 -26.542 18.773 1.00 38.61 ATOM 1849 CA ASN 118 2.726 -24.840 18.873 1.00 21.35 ATOM 1850 HA ASN 118 2.353 -24.479 19.821 1.00 62.11 ATOM 1851 CB ASN 118 3.963 -24.020 18.482 1.00 12.41 ATOM 1852 HB1 ASN 118 4.424 -24.466 17.612 1.00 38.61 ATOM 1853 HB2 ASN 118 4.668 -24.034 19.300 1.00 63.33 ATOM 1854 CG ASN 118 3.628 -22.574 18.162 1.00 63.35 ATOM 1855 OD1 ASN 118 3.374 -22.221 17.017 1.00 50.51 ATOM 1856 ND2 ASN 118 3.623 -21.725 19.167 1.00 11.21 ATOM 1857 HD21 ASN 118 3.830 -22.063 20.059 1.00 51.33 ATOM 1858 HD22 ASN 118 3.412 -20.790 18.976 1.00 0.31 ATOM 1859 C ASN 118 1.621 -24.676 17.814 1.00 23.45 ATOM 1860 O ASN 118 0.619 -24.006 18.050 1.00 40.14 ATOM 1861 N LYS 119 1.808 -25.301 16.655 1.00 74.34 ATOM 1862 HN LYS 119 2.601 -25.870 16.548 1.00 38.61 ATOM 1863 CA LYS 119 0.870 -25.169 15.530 1.00 35.33 ATOM 1864 HA LYS 119 0.810 -24.118 15.281 1.00 44.31 ATOM 1865 CB LYS 119 1.416 -25.927 14.313 1.00 75.43 ATOM 1866 HB1 LYS 119 0.661 -25.936 13.539 1.00 38.61 ATOM 1867 HB2 LYS 119 1.632 -26.946 14.605 1.00 22.03 ATOM 1868 CG LYS 119 2.691 -25.314 13.731 1.00 41.21 ATOM 1869 HG1 LYS 119 3.400 -25.156 14.533 1.00 38.61 ATOM 1870 HG2 LYS 119 2.446 -24.364 13.279 1.00 33.42 ATOM 1871 CD LYS 119 3.336 -26.212 12.674 1.00 15.03 ATOM 1872 HD1 LYS 119 3.649 -27.136 13.143 1.00 38.61 ATOM 1873 HD2 LYS 119 4.200 -25.707 12.270 1.00 63.22 ATOM 1874 CE LYS 119 2.382 -26.538 11.530 1.00 54.44 ATOM 1875 HE1 LYS 119 1.525 -27.061 11.930 1.00 38.61 ATOM 1876 HE2 LYS 119 2.892 -27.178 10.826 1.00 51.15 ATOM 1877 NZ LYS 119 1.917 -25.320 10.819 1.00 62.20 ATOM 1878 HZ1 LYS 119 1.321 -25.587 10.010 1.00 22.31 ATOM 1879 HZ2 LYS 119 2.730 -24.778 10.470 1.00 1.31 ATOM 1880 HZ3 LYS 119 1.362 -24.716 11.457 1.00 70.45 ATOM 1881 C LYS 119 -0.549 -25.667 15.875 1.00 12.04 ATOM 1882 O LYS 119 -1.541 -25.012 15.543 1.00 72.21 ATOM 1883 N VAL 120 -0.646 -26.819 16.541 1.00 2.02 ATOM 1884 HN VAL 120 0.173 -27.293 16.797 1.00 38.61 ATOM 1885 CA VAL 120 -1.951 -27.399 16.891 1.00 10.43 ATOM 1886 HA VAL 120 -2.551 -27.408 15.988 1.00 43.33 ATOM 1887 CB VAL 120 -1.818 -28.867 17.383 1.00 63.32 ATOM 1888 HB VAL 120 -2.808 -29.230 17.627 1.00 21.14 ATOM 1889 CG1 VAL 120 -1.253 -29.759 16.279 1.00 61.00 ATOM 1890 HG11 VAL 120 -0.275 -29.402 15.989 1.00 12.35 ATOM 1891 HG12 VAL 120 -1.912 -29.736 15.423 1.00 0.10 ATOM 1892 HG13 VAL 120 -1.172 -30.775 16.640 1.00 33.44 ATOM 1893 CG2 VAL 120 -0.957 -28.955 18.644 1.00 45.21 ATOM 1894 HG21 VAL 120 -1.426 -28.398 19.443 1.00 71.05 ATOM 1895 HG22 VAL 120 0.021 -28.540 18.445 1.00 11.23 ATOM 1896 HG23 VAL 120 -0.852 -29.990 18.940 1.00 34.33 ATOM 1897 C VAL 120 -2.692 -26.561 17.951 1.00 14.12 ATOM 1898 O VAL 120 -3.905 -26.368 17.864 1.00 22.41 ATOM 1899 N THR 121 -1.958 -26.049 18.939 1.00 41.44 ATOM 1900 HN THR 121 -0.991 -26.220 18.955 1.00 38.61 ATOM 1901 CA THR 121 -2.561 -25.228 20.000 1.00 12.03 ATOM 1902 HA THR 121 -3.490 -25.703 20.294 1.00 13.45 ATOM 1903 CB THR 121 -1.649 -25.143 21.246 1.00 70.22 ATOM 1904 HB THR 121 -2.119 -24.491 21.971 1.00 43.14 ATOM 1905 OG1 THR 121 -0.372 -24.592 20.888 1.00 75.45 ATOM 1906 HG1 THR 121 0.279 -25.301 20.822 1.00 50.41 ATOM 1907 CG2 THR 121 -1.461 -26.520 21.885 1.00 5.23 ATOM 1908 HG21 THR 121 -2.426 -26.934 22.143 1.00 2.12 ATOM 1909 HG22 THR 121 -0.865 -26.426 22.780 1.00 50.42 ATOM 1910 HG23 THR 121 -0.962 -27.178 21.188 1.00 24.32 ATOM 1911 C THR 121 -2.878 -23.810 19.500 1.00 64.20 ATOM 1912 O THR 121 -3.893 -23.221 19.872 1.00 75.52 ATOM 1913 N ALA 122 -2.009 -23.271 18.648 1.00 25.24 ATOM 1914 HN ALA 122 -1.171 -23.746 18.461 1.00 38.61 ATOM 1915 CA ALA 122 -2.258 -21.979 17.997 1.00 3.54 ATOM 1916 HA ALA 122 -2.389 -21.236 18.773 1.00 40.34 ATOM 1917 CB ALA 122 -1.063 -21.569 17.143 1.00 33.02 ATOM 1918 HB1 ALA 122 -1.245 -20.598 16.708 1.00 41.34 ATOM 1919 HB2 ALA 122 -0.917 -22.295 16.355 1.00 33.22 ATOM 1920 HB3 ALA 122 -0.176 -21.526 17.759 1.00 32.53 ATOM 1921 C ALA 122 -3.531 -22.033 17.139 1.00 22.44 ATOM 1922 O ALA 122 -4.248 -21.038 17.001 1.00 44.14 ATOM 1923 N ASP 123 -3.803 -23.205 16.563 1.00 34.53 ATOM 1924 HN ASP 123 -3.151 -23.934 16.646 1.00 38.61 ATOM 1925 CA ASP 123 -5.034 -23.436 15.800 1.00 22.41 ATOM 1926 HA ASP 123 -5.124 -22.644 15.068 1.00 40.03 ATOM 1927 CB ASP 123 -4.950 -24.784 15.072 1.00 31.43 ATOM 1928 HB1 ASP 123 -4.862 -25.574 15.805 1.00 38.61 ATOM 1929 HB2 ASP 123 -4.074 -24.791 14.438 1.00 34.24 ATOM 1930 CG ASP 123 -6.168 -25.061 14.205 1.00 53.41 ATOM 1931 OD1 ASP 123 -6.927 -26.002 14.512 1.00 71.14 ATOM 1932 OD2 ASP 123 -6.375 -24.327 13.215 1.00 40.53 ATOM 1933 C ASP 123 -6.266 -23.395 16.724 1.00 0.44 ATOM 1934 O ASP 123 -7.369 -23.045 16.301 1.00 55.10 ATOM 1935 N ILE 124 -6.068 -23.760 17.989 1.00 22.34 ATOM 1936 HN ILE 124 -5.189 -24.108 18.250 1.00 38.61 ATOM 1937 CA ILE 124 -7.126 -23.664 19.003 1.00 73.12 ATOM 1938 HA ILE 124 -8.013 -24.141 18.606 1.00 23.21 ATOM 1939 CB ILE 124 -6.713 -24.405 20.306 1.00 25.11 ATOM 1940 HB ILE 124 -5.797 -23.958 20.667 1.00 61.33 ATOM 1941 CG1 ILE 124 -6.455 -25.894 20.011 1.00 2.32 ATOM 1942 HG11 ILE 124 -5.676 -25.974 19.265 1.00 38.61 ATOM 1943 HG12 ILE 124 -7.359 -26.341 19.626 1.00 71.23 ATOM 1944 CG2 ILE 124 -7.773 -24.244 21.397 1.00 75.35 ATOM 1945 HG21 ILE 124 -7.461 -24.772 22.286 1.00 41.51 ATOM 1946 HG22 ILE 124 -8.715 -24.647 21.052 1.00 24.04 ATOM 1947 HG23 ILE 124 -7.897 -23.195 21.630 1.00 22.21 ATOM 1948 CD1 ILE 124 -6.023 -26.699 21.221 1.00 31.14 ATOM 1949 HD11 ILE 124 -5.853 -27.725 20.928 1.00 2.03 ATOM 1950 HD12 ILE 124 -6.796 -26.665 21.974 1.00 32.51 ATOM 1951 HD13 ILE 124 -5.110 -26.285 21.624 1.00 64.03 ATOM 1952 C ILE 124 -7.453 -22.192 19.320 1.00 12.44 ATOM 1953 O ILE 124 -8.582 -21.857 19.696 1.00 63.13 ATOM 1954 N GLY 125 -6.458 -21.317 19.156 1.00 73.22 ATOM 1955 HN GLY 125 -5.579 -21.645 18.871 1.00 38.61 ATOM 1956 CA GLY 125 -6.655 -19.886 19.386 1.00 21.33 ATOM 1957 HA1 GLY 125 -7.645 -19.726 19.792 1.00 38.61 ATOM 1958 HA2 GLY 125 -6.586 -19.371 18.440 1.00 63.44 ATOM 1959 C GLY 125 -5.629 -19.287 20.345 1.00 74.04 ATOM 1960 O GLY 125 -4.759 -18.514 19.931 1.00 4.45 ATOM 1961 N LEU 126 -5.743 -19.653 21.626 1.00 5.30 ATOM 1962 HN LEU 126 -6.443 -20.289 21.864 1.00 38.61 ATOM 1963 HA LEU 126 -5.296 -19.463 23.633 1.00 51.13 ATOM 1964 CB LEU 126 -3.489 -19.855 22.570 1.00 13.52 ATOM 1965 HB1 LEU 126 -2.794 -19.364 23.236 1.00 38.61 ATOM 1966 HB2 LEU 126 -3.148 -19.721 21.555 1.00 55.54 ATOM 1967 CG LEU 126 -3.482 -21.360 22.884 1.00 3.44 ATOM 1968 HG LEU 126 -4.120 -21.870 22.175 1.00 74.24 ATOM 1969 CD1 LEU 126 -2.077 -21.930 22.734 1.00 73.25 ATOM 1970 HD11 LEU 126 -1.400 -21.403 23.392 1.00 22.30 ATOM 1971 HD12 LEU 126 -1.749 -21.813 21.712 1.00 34.50 ATOM 1972 HD13 LEU 126 -2.085 -22.980 22.990 1.00 20.42 ATOM 1973 CD2 LEU 126 -4.029 -21.625 24.287 1.00 53.12 ATOM 1974 HD21 LEU 126 -3.997 -22.686 24.493 1.00 61.12 ATOM 1975 HD22 LEU 126 -5.052 -21.281 24.345 1.00 13.32 ATOM 1976 HD23 LEU 126 -3.430 -21.099 25.016 1.00 72.01 ATOM 1977 CA LEU 126 -4.851 -19.168 22.693 1.00 73.35 ATOM 1978 C LEU 126 -4.698 -17.629 22.701 1.00 2.31 ATOM 1979 OT1 LEU 126 -5.626 -16.940 23.188 1.00 38.61 ATOM 1980 OT2 LEU 126 -3.647 -17.116 22.254 1.00 38.61 ATOM 1981 OH2 TIP3 1 -7.163 -38.865 17.323 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -6.870 -38.575 16.430 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -7.727 -38.153 17.628 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.524 -37.931 14.851 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.061 -38.176 14.092 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -5.618 -37.851 14.486 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -5.906 -38.050 11.173 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -6.367 -37.208 11.395 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.118 -38.197 10.249 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -2.797 -35.630 13.697 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -3.434 -36.353 13.500 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -2.029 -36.095 14.094 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -4.219 -37.978 13.343 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -4.716 -38.124 12.506 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -3.729 -38.819 13.482 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 1.137 -44.191 22.729 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 1.128 -45.154 22.909 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 0.666 -43.799 23.503 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -2.868 -45.536 21.581 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -2.248 -45.921 22.241 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -2.533 -44.628 21.446 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.133 -41.345 17.951 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -6.741 -41.638 18.658 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -6.507 -40.490 17.656 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -7.123 -35.694 11.788 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -7.964 -35.468 12.197 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -6.536 -34.943 12.017 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -8.653 -44.523 25.326 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -8.280 -45.130 24.640 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -9.604 -44.568 25.187 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -2.640 -40.247 13.649 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -1.725 -39.896 13.638 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -2.605 -41.015 13.072 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -4.539 -47.471 24.722 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -4.905 -47.085 23.905 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -4.636 -46.769 25.384 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.764 -46.437 23.607 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.975 -46.303 23.033 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -7.790 -47.389 23.750 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -0.058 -39.204 13.613 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -0.316 -38.333 13.995 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 0.757 -39.008 13.102 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.394 -46.440 22.263 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -4.652 -45.817 22.117 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -5.241 -47.145 21.603 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.487 -30.202 16.922 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -11.008 -29.376 16.961 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.941 -30.804 17.554 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.922 -41.739 20.028 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.654 -42.315 20.260 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -7.818 -41.163 20.792 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 2.441 -38.708 12.473 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 2.761 -37.800 12.283 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 2.969 -39.274 11.875 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -3.760 -47.911 20.520 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -3.230 -48.159 19.742 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -3.392 -47.044 20.791 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -3.488 -42.562 23.461 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -4.121 -42.104 24.047 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -3.231 -43.361 23.966 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.924 -45.304 27.333 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -7.566 -45.235 26.599 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -7.049 -44.483 27.831 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.612 -43.057 21.550 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -2.354 -42.711 22.103 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -0.822 -42.885 22.085 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -0.292 -43.221 24.813 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -1.150 -43.693 24.806 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -0.153 -42.999 25.751 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -1.220 -46.673 23.437 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -1.515 -47.599 23.290 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -0.255 -46.756 23.610 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -0.976 -49.839 20.246 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -1.314 -49.283 19.512 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -0.145 -50.185 19.916 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -2.150 -49.120 22.592 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.005 -48.931 22.169 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -1.609 -49.508 21.868 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -0.610 -36.822 14.816 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 0.167 -36.226 14.844 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -0.827 -36.985 15.764 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -9.075 -33.735 19.286 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -8.168 -33.799 18.941 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -8.981 -33.929 20.233 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.276 -33.884 19.324 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.354 -32.995 19.741 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.134 -34.485 20.072 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 0.643 -41.105 15.489 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 0.295 -40.411 14.889 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 1.510 -41.334 15.106 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -1.879 -46.722 33.554 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -2.221 -47.384 34.168 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -2.422 -45.923 33.736 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -8.785 -37.542 34.811 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -8.770 -37.853 35.722 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -8.570 -38.322 34.289 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -3.593 -37.590 34.533 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -3.899 -38.331 35.098 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -3.243 -36.931 35.173 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -4.892 -40.004 30.159 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -4.978 -40.645 29.424 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -5.643 -39.407 30.042 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 0.322 -46.240 35.315 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -0.240 -46.026 34.550 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 1.031 -45.561 35.287 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.556 -41.817 33.810 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -2.866 -41.503 34.444 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.375 -41.313 32.995 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -4.970 -37.078 32.162 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -4.741 -37.148 33.110 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -4.129 -37.233 31.708 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -4.438 -40.767 38.657 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -5.000 -40.322 39.329 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -4.548 -40.226 37.855 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -4.853 -32.785 28.267 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -5.389 -33.299 28.874 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -4.144 -32.406 28.835 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -2.157 -37.637 32.232 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -1.639 -36.802 32.235 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -2.590 -37.651 33.116 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -2.280 -48.845 25.423 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -1.990 -49.278 24.603 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.149 -48.453 25.189 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 1.012 -35.552 40.736 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 0.242 -36.089 41.013 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 1.062 -35.701 39.770 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -0.741 -43.426 34.305 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -1.617 -43.835 34.455 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -0.518 -43.008 35.166 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.001 -44.869 39.605 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.143 -44.684 40.039 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -4.652 -44.490 40.199 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -7.325 -42.501 27.107 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -8.004 -42.905 26.537 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -7.650 -41.576 27.255 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -1.955 -40.334 43.196 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -1.392 -40.087 43.956 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -1.353 -40.780 42.590 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -2.115 -47.177 27.630 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -2.976 -46.829 27.342 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -1.926 -47.897 26.990 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 0.123 -44.552 38.475 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -0.498 -44.081 37.876 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 1.011 -44.326 38.127 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.651 -40.248 31.618 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -2.424 -39.317 31.861 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.533 -40.169 31.177 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.007 -45.204 36.904 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -3.282 -45.870 36.931 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -4.244 -45.077 37.851 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -4.244 -39.904 35.920 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -3.305 -40.195 35.994 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -4.642 -40.550 35.320 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -4.829 -41.991 28.244 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -4.470 -42.851 28.561 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -5.735 -42.209 27.932 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.629 -44.264 29.248 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -2.662 -44.437 29.181 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.843 -44.488 30.163 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.179 -41.623 25.489 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.970 -42.141 25.718 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -4.720 -41.506 26.340 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -7.838 -39.837 27.386 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -7.543 -39.461 26.529 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -8.030 -39.049 27.940 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.650 -39.334 24.910 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.118 -40.145 25.008 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.149 -38.800 24.268 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -3.308 -36.625 44.232 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -3.318 -36.373 45.159 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -2.349 -36.709 44.016 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.561 -44.752 24.848 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -2.127 -45.527 24.419 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.126 -45.146 25.540 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -1.998 -41.661 39.348 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -1.889 -42.213 38.548 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -2.905 -41.278 39.250 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -4.295 -45.618 26.873 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -5.274 -45.654 27.006 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.973 -45.110 27.646 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.557 -44.019 40.619 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -1.729 -43.091 40.353 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -0.892 -44.333 39.969 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -10.888 -34.351 29.782 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -10.444 -34.414 28.905 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -11.821 -34.266 29.567 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 0.025 -40.015 40.226 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -0.789 -40.525 40.009 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 0.633 -40.221 39.495 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -2.084 -41.433 29.068 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -2.982 -41.448 28.696 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -2.202 -41.060 29.962 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 0.992 -44.773 32.693 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 1.742 -44.645 33.309 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 0.292 -44.189 33.052 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -0.180 -42.973 27.699 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -0.453 -43.802 28.145 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -0.748 -42.285 28.110 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -3.314 -44.507 34.381 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -3.782 -44.725 35.221 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -3.646 -43.613 34.146 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -1.959 -43.340 37.154 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -2.023 -42.545 36.577 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.794 -43.824 36.996 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -5.864 -39.665 40.754 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -6.616 -39.821 41.327 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -5.147 -39.388 41.370 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -5.015 -36.149 42.075 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -5.059 -37.109 41.943 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -4.431 -36.045 42.851 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -4.017 -34.925 39.856 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -4.716 -34.501 39.324 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -4.492 -35.284 40.641 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.453 -35.224 36.126 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.657 -34.523 36.776 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -6.195 -35.199 35.506 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -8.269 -37.486 28.907 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -7.931 -37.077 29.733 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -8.983 -36.901 28.630 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -0.166 -39.539 45.150 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 0.480 -40.202 44.810 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -0.108 -39.624 46.106 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -0.682 -37.179 43.751 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -0.777 -37.381 42.790 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -0.413 -38.033 44.149 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -0.902 -37.515 41.041 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.480 -37.226 40.295 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -0.553 -38.377 40.744 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.403 -25.045 1.498 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.261 -24.881 1.060 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.649 -25.369 2.380 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 1.257 -30.421 -0.078 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 1.101 -29.807 0.669 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 0.395 -30.507 -0.497 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.917 -19.195 6.597 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.600 -18.812 7.447 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -1.945 -20.150 6.763 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 3.152 -22.479 7.406 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 2.274 -22.144 7.697 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 2.932 -23.184 6.755 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.226 -22.585 5.397 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -5.042 -22.102 5.184 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.496 -23.525 5.378 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 1.320 -22.175 3.897 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 1.261 -22.666 3.040 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 0.412 -21.825 4.030 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.832 -21.932 4.288 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -7.599 -21.608 3.800 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -7.209 -22.576 4.931 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -4.999 -25.151 7.833 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -5.606 -24.451 8.139 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -5.006 -25.803 8.565 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -0.475 -28.364 8.629 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -0.956 -28.954 9.248 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -1.099 -27.624 8.468 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -1.967 -27.338 5.301 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -2.417 -26.786 4.626 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -1.624 -28.100 4.794 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -1.195 -21.128 3.724 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -1.190 -21.285 2.754 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -1.566 -20.224 3.816 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 2.124 -24.218 5.575 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 1.844 -23.551 4.913 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 1.288 -24.481 6.014 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 5.400 -20.886 7.823 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 5.986 -21.508 8.263 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 4.596 -21.411 7.624 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 0.671 -23.270 1.545 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -0.002 -23.982 1.462 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 0.243 -22.490 1.140 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.102 -24.620 1.065 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -4.629 -24.592 0.260 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.330 -23.782 1.533 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -3.291 -25.768 3.478 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -3.655 -25.522 2.605 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -4.024 -25.574 4.105 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 0.726 -29.155 6.309 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 0.275 -28.887 7.143 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 0.044 -29.039 5.620 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -4.660 -22.424 2.573 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.506 -22.210 3.008 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -4.016 -22.424 3.299 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -1.570 -22.117 6.301 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -1.348 -21.841 5.386 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -2.519 -22.371 6.245 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -10.249 -21.690 12.356 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -10.796 -21.106 12.916 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -9.540 -21.999 12.957 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -6.445 -29.633 18.448 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -5.629 -30.078 18.108 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -6.563 -28.866 17.841 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -4.563 -30.935 17.106 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -4.547 -31.908 17.170 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -4.249 -30.752 16.214 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -13.241 -29.290 18.583 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -13.758 -30.029 18.251 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -13.006 -28.777 17.775 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -10.194 -25.257 19.045 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -11.138 -25.093 19.249 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -9.823 -25.570 19.890 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -12.791 -25.540 19.961 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -12.732 -26.455 20.310 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -12.910 -24.992 20.749 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -7.988 -31.394 16.759 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.510 -30.914 17.457 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.912 -31.064 16.830 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -6.355 -28.973 10.213 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -6.204 -29.941 10.302 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -6.738 -28.709 11.080 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -9.652 -26.251 14.766 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -9.893 -25.398 15.172 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -8.690 -26.168 14.590 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -9.805 -24.081 16.508 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -9.973 -24.435 17.406 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -8.890 -23.740 16.551 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -12.178 -28.143 20.770 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -12.643 -28.488 19.969 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.777 -28.941 21.166 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.492 -22.992 23.736 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -10.629 -22.952 22.767 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -10.163 -23.897 23.892 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.153 -26.478 10.181 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -5.974 -26.137 10.597 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.283 -27.448 10.161 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -7.686 -21.317 27.111 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -8.114 -21.474 26.259 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.345 -20.396 27.041 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 1.394 -34.894 14.500 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 0.718 -34.259 14.182 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 2.137 -34.771 13.892 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -12.236 -28.077 13.713 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -11.677 -27.357 13.399 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -11.637 -28.857 13.725 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -0.170 -24.515 7.099 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -0.693 -23.736 6.826 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -0.847 -25.168 7.387 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -8.069 -18.583 11.212 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -7.593 -19.390 11.472 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -8.472 -18.809 10.350 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -0.839 -18.323 8.951 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 0.083 -18.321 9.239 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -1.338 -18.049 9.748 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -6.597 -20.888 12.070 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -7.088 -21.277 11.311 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -7.080 -21.221 12.859 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -3.298 -24.457 10.356 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -3.753 -23.787 10.903 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.944 -25.191 10.288 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -12.382 -27.952 16.429 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -12.547 -26.996 16.598 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -12.419 -28.030 15.447 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -6.954 -27.826 16.495 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -7.850 -27.601 16.827 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -6.775 -27.139 15.809 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -7.830 -30.093 22.493 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -8.260 -29.232 22.454 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -7.981 -30.393 23.413 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -7.689 -29.693 14.617 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -7.358 -29.025 15.252 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.705 -30.520 15.133 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.459 -27.266 17.343 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -9.869 -26.539 17.857 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.785 -27.124 16.427 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -8.750 -28.622 19.632 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.084 -28.248 18.784 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -7.884 -29.010 19.394 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -7.551 -25.605 11.138 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -7.818 -26.443 11.569 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -7.254 -25.035 11.892 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -6.017 -31.739 10.506 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -5.944 -32.231 11.351 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -6.213 -32.418 9.856 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -9.848 -25.766 24.103 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -9.818 -26.103 23.184 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -9.378 -26.450 24.622 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -0.513 -27.919 12.132 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -1.022 -28.579 11.632 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -0.831 -27.063 11.797 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -4.465 -22.762 12.185 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.969 -21.948 11.996 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -5.144 -23.382 12.552 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -8.095 -22.319 13.895 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -7.590 -23.105 13.576 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -8.050 -22.390 14.869 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.776 -20.120 14.136 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.557 -19.895 13.622 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.680 -19.369 14.769 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 2.376 -19.467 8.933 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 2.898 -19.928 9.619 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 1.726 -20.136 8.639 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -7.900 -26.133 5.720 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -8.483 -26.746 5.260 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -7.680 -26.598 6.563 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.227 -23.805 9.051 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -7.386 -24.492 9.734 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.640 -22.995 9.430 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -3.150 -33.203 14.831 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -3.725 -33.309 15.608 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -3.059 -34.115 14.475 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -8.484 -21.693 10.260 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -9.205 -21.806 10.925 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -8.777 -20.928 9.721 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -10.386 -29.989 14.172 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -10.507 -30.199 15.118 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -9.425 -29.853 14.081 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -6.684 -31.480 20.526 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -7.036 -30.962 21.293 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -6.550 -30.806 19.830 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -5.686 -33.476 12.642 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -6.128 -33.250 13.498 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -4.778 -33.690 12.898 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -9.154 -19.484 8.802 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -8.809 -19.874 7.963 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -9.948 -19.010 8.531 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -11.408 -18.896 26.976 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.090 -19.459 27.403 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -11.206 -19.359 26.143 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -7.858 -23.460 6.380 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -7.640 -23.570 7.334 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -8.012 -24.378 6.068 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 0.682 -21.577 8.218 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 0.345 -21.993 9.026 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -0.052 -21.670 7.579 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -14.574 -25.535 27.651 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -14.399 -25.066 28.492 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -14.967 -24.866 27.083 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -5.347 -25.163 5.184 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -6.258 -25.515 5.125 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -5.119 -25.257 6.140 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -7.320 -27.950 12.574 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -7.068 -27.241 13.209 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -7.579 -28.701 13.151 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -7.744 -33.657 21.887 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -7.019 -34.179 22.281 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -7.302 -32.850 21.554 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -7.564 -27.396 8.149 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -7.071 -28.077 8.649 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.049 -26.912 8.827 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -11.273 -20.484 24.591 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -12.207 -20.675 24.459 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.823 -21.336 24.382 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 1.980 -25.853 8.215 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 2.378 -26.459 7.559 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 1.236 -25.440 7.737 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.275 -32.783 22.356 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -10.239 -31.874 21.990 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -9.358 -33.124 22.248 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -10.507 -30.411 20.831 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -10.832 -30.938 20.070 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.809 -29.842 20.445 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -9.847 -26.895 21.482 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.283 -27.477 20.932 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -10.752 -27.242 21.339 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -11.189 -32.102 18.745 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -10.406 -32.701 18.738 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -11.850 -32.586 19.285 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.382 -30.519 25.144 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -7.694 -30.759 25.778 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -8.534 -29.558 25.307 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -12.393 -33.549 20.741 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -11.688 -33.291 21.374 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -12.867 -34.251 21.191 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -10.026 -32.780 25.225 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -10.251 -32.929 24.287 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -9.518 -31.944 25.215 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -1.995 -23.571 13.241 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -2.925 -23.380 12.988 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -2.070 -24.121 14.047 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -0.876 -25.243 11.250 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -1.628 -25.109 10.627 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -1.065 -24.618 11.977 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -2.162 -26.308 7.797 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -2.194 -26.729 6.904 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -3.037 -25.892 7.896 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -1.334 -30.109 10.579 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -0.602 -30.632 10.984 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -2.092 -30.704 10.608 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 0.622 -31.561 11.899 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 0.130 -32.217 12.434 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 1.563 -31.791 12.049 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -12.859 -25.342 17.203 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -12.898 -24.406 16.982 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -12.998 -25.367 18.172 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -14.808 -19.832 21.044 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -15.574 -19.442 21.469 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -14.996 -19.744 20.079 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -11.530 -21.911 16.355 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -11.520 -21.482 15.478 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.955 -22.697 16.246 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.935 -22.859 20.959 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.183 -22.719 20.361 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.477 -22.047 20.854 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.577 -33.113 15.157 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -7.218 -32.596 15.690 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -5.967 -33.484 15.818 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -4.693 -33.694 17.139 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.917 -34.061 17.622 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -5.439 -33.812 17.774 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -0.769 -33.466 13.404 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -1.427 -33.019 13.975 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -1.246 -34.240 13.059 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.321 -20.740 6.561 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.517 -20.571 6.058 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.379 -21.716 6.595 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -0.701 -21.238 12.865 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -1.150 -22.098 13.047 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -1.427 -20.629 12.680 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -10.132 -27.352 34.781 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.737 -26.937 35.405 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -10.215 -28.319 34.971 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -6.383 -21.092 34.709 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -6.373 -20.963 33.735 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.320 -21.077 34.940 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -8.344 -23.400 33.618 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.994 -24.012 34.300 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.562 -23.111 33.134 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -5.233 -29.924 37.503 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -5.858 -30.293 38.146 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -4.405 -30.419 37.665 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -13.631 -27.254 32.443 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -13.194 -28.078 32.746 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -13.867 -27.442 31.509 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -4.951 -23.387 35.134 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -5.671 -24.044 35.227 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -5.419 -22.538 35.014 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.957 -35.040 34.126 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.321 -35.916 34.387 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -8.649 -34.656 33.546 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -1.877 -23.402 32.716 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -1.686 -24.283 32.330 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -2.731 -23.143 32.310 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -3.833 -24.429 38.996 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -3.612 -24.119 38.100 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -4.532 -23.807 39.300 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.378 -26.232 26.270 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -6.886 -25.533 26.726 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -5.460 -26.104 26.581 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 1.877 -30.780 36.801 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 1.509 -31.532 37.306 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 1.182 -30.566 36.147 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.072 -28.808 39.547 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.709 -28.288 40.045 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -7.632 -28.160 38.972 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -12.852 -24.702 32.820 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -13.466 -24.390 33.492 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -13.052 -25.669 32.741 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -6.410 -20.870 31.940 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -6.324 -19.915 31.793 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -7.006 -21.171 31.211 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.106 -22.397 31.521 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -4.030 -22.565 30.571 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.990 -21.986 31.624 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -5.597 -14.969 29.557 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.813 -15.928 29.466 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -6.444 -14.555 29.744 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.094 -16.869 25.871 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -5.210 -16.918 24.899 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.578 -16.050 26.006 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -1.866 -17.279 29.587 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -2.286 -16.631 28.972 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -0.986 -17.457 29.182 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -1.737 -29.468 39.118 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -1.142 -29.143 38.408 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -2.270 -28.682 39.357 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.381 -33.242 38.121 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.042 -32.575 38.383 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -4.533 -32.747 38.111 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -7.143 -31.337 39.155 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -7.403 -31.872 39.915 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.534 -30.447 39.343 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -9.779 -34.609 27.280 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -10.007 -33.902 26.633 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -9.081 -35.107 26.843 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -13.892 -27.527 29.745 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -13.077 -27.590 29.203 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -14.605 -27.476 29.093 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.491 -27.807 25.608 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.630 -27.332 25.679 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.867 -27.750 26.520 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.162 -27.679 36.014 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.155 -28.546 36.491 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -5.912 -27.758 35.387 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -7.600 -30.444 33.237 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -7.306 -31.182 33.813 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -6.763 -30.062 32.893 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -10.408 -27.397 32.016 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -11.055 -28.120 32.076 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -10.192 -27.198 32.946 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -6.830 -32.627 34.724 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -7.258 -33.484 34.510 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -5.907 -32.737 34.405 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -12.078 -29.441 33.042 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -11.589 -30.212 32.687 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -11.880 -29.457 33.993 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -10.373 -29.992 35.248 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -9.704 -30.345 35.882 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -10.320 -30.607 34.486 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -10.479 -23.642 31.867 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -9.803 -23.525 32.571 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -11.239 -24.060 32.330 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -2.644 -26.606 36.328 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -2.685 -25.632 36.243 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -3.544 -26.910 36.077 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -9.392 -25.615 30.243 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -9.667 -26.379 30.803 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -9.764 -24.840 30.708 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -7.432 -27.637 34.414 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -8.397 -27.482 34.520 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.381 -28.481 33.927 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -13.431 -24.793 30.093 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -13.485 -25.770 30.106 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -13.222 -24.555 31.020 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.063 -25.087 35.434 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -7.067 -25.296 36.390 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -7.114 -25.966 34.999 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -13.091 -20.603 28.312 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -12.946 -21.544 28.079 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -12.842 -20.551 29.242 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -12.364 -23.251 28.114 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.767 -23.810 27.565 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -12.683 -23.859 28.818 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -8.313 -31.163 36.596 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -7.761 -31.696 35.988 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -7.900 -31.290 37.467 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.316 -18.772 30.442 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.475 -19.718 30.280 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -9.103 -18.325 30.051 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -10.144 -31.424 32.897 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -9.983 -32.347 32.614 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -9.251 -31.009 32.870 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.631 -21.904 29.777 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.685 -22.488 30.566 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -11.206 -22.338 29.118 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -2.429 -36.907 38.862 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -3.082 -36.291 39.248 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -2.362 -36.626 37.932 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -3.776 -21.112 38.227 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -3.772 -20.789 37.302 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -2.863 -21.415 38.377 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -7.974 -21.500 29.821 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -8.940 -21.691 29.824 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -7.750 -21.425 28.867 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -12.117 -26.814 27.772 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.496 -26.151 27.399 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -13.000 -26.476 27.521 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -7.992 -24.330 27.649 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -7.785 -23.380 27.587 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -8.192 -24.472 28.589 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -6.501 -26.297 37.973 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -5.893 -25.980 38.655 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -5.925 -26.783 37.347 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.565 -24.821 26.717 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -10.449 -24.966 25.756 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -9.650 -24.700 27.050 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -9.435 -27.454 28.134 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -10.407 -27.516 28.109 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -9.256 -26.822 28.858 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -6.244 -17.608 29.227 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -6.440 -17.957 28.331 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -6.977 -17.966 29.784 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 0.272 -20.157 35.929 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -0.378 -19.534 35.546 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 0.009 -21.030 35.558 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -2.632 -23.801 36.407 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -1.918 -23.431 35.842 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.466 -23.569 35.922 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -5.662 -22.481 39.630 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -5.060 -21.888 39.123 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -6.283 -21.882 40.048 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -3.143 -27.095 39.032 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -2.902 -27.017 38.090 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -3.355 -26.179 39.300 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 1.741 -31.417 40.321 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 1.643 -32.099 39.624 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 0.862 -31.032 40.397 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.130 -31.588 38.118 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.661 -30.895 38.645 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.525 -31.753 37.350 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 3.682 -34.348 40.483 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 3.950 -33.964 41.340 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 2.737 -34.555 40.599 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 0.867 -33.054 38.218 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 0.014 -33.265 38.668 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 0.878 -33.648 37.447 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.227 -20.096 32.840 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -3.426 -20.982 32.475 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.525 -19.476 32.134 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -2.795 -35.694 36.353 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.765 -35.512 36.314 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -2.391 -34.817 36.371 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -7.378 -36.195 31.233 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -6.467 -36.513 31.432 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -7.750 -35.999 32.101 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -9.345 -33.959 31.976 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -10.052 -34.119 31.308 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -8.524 -34.101 31.485 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -6.924 -18.655 26.732 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -7.575 -18.369 26.057 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -6.107 -18.157 26.496 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -4.162 -38.840 42.712 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -3.932 -38.122 43.332 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -3.403 -39.466 42.782 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -1.626 -33.675 39.174 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -2.277 -34.273 39.592 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -2.154 -32.908 38.900 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 4.466 -33.423 42.985 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 4.476 -34.340 43.333 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 4.651 -32.872 43.772 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 0.578 -15.925 1.088 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 0.878 -15.563 1.955 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -0.150 -15.317 0.815 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 4.052 -14.516 2.386 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 4.604 -14.069 3.060 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 3.176 -14.600 2.813 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 5.174 -18.142 7.908 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 5.328 -19.099 8.070 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 5.648 -17.699 8.621 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -1.422 -10.914 9.938 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -1.786 -11.600 10.538 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -1.600 -10.084 10.393 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -2.091 -18.495 4.001 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -2.934 -18.032 3.941 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -1.968 -18.646 4.972 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -0.792 -13.462 17.837 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -0.282 -12.964 17.192 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -1.118 -12.785 18.462 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -6.914 -13.405 20.315 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -7.612 -13.103 20.915 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -6.930 -14.376 20.405 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -2.035 -12.511 12.106 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -1.235 -12.133 12.518 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -2.671 -12.610 12.854 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 0.920 -15.145 22.588 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 0.756 -15.278 23.546 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 0.222 -15.692 22.148 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -3.711 -13.271 14.132 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -4.514 -13.705 13.822 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -3.627 -13.560 15.062 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -12.377 -19.963 18.015 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -12.063 -20.746 17.501 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -12.157 -20.184 18.948 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -1.947 -11.680 19.625 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.277 -11.058 20.285 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -2.743 -12.204 19.375 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -1.810 -17.725 11.509 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -1.701 -16.781 11.773 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -2.663 -17.980 11.898 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 0.010 -15.130 25.185 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -0.752 -15.706 24.951 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -0.364 -14.231 25.180 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -15.067 -19.538 18.356 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -14.105 -19.637 18.177 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -15.474 -19.585 17.489 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -3.953 -15.507 20.188 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.471 -15.952 19.467 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.884 -16.143 20.951 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -8.698 -13.780 22.605 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -9.140 -13.283 23.301 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -7.788 -13.922 22.951 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -4.290 -13.061 19.095 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -5.192 -12.826 19.392 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -4.120 -13.929 19.524 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.605 -17.133 17.897 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.964 -17.693 18.621 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -3.730 -17.680 17.088 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -9.130 -16.476 22.200 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -9.224 -15.507 22.313 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -8.406 -16.567 21.545 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 1.122 -10.969 8.970 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 0.183 -11.040 9.268 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 1.221 -11.693 8.313 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -8.467 -20.635 22.061 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -8.669 -21.092 21.224 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -9.230 -20.044 22.201 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -6.753 -16.154 20.813 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -6.374 -16.418 21.684 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -5.993 -16.186 20.208 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -6.854 -17.008 13.044 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -7.549 -16.651 13.602 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -7.339 -17.447 12.307 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -7.963 -17.378 24.507 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -7.082 -17.362 24.068 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -8.586 -17.149 23.789 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -10.590 -18.864 22.338 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -10.219 -17.955 22.357 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -10.740 -19.084 23.278 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.350 -14.750 25.690 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -2.891 -15.492 25.238 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -3.007 -13.950 25.236 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -6.268 -14.369 23.735 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -6.631 -14.427 24.644 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -5.976 -15.289 23.535 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -3.868 -13.704 22.410 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -4.738 -13.772 22.854 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -3.945 -14.298 21.644 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -12.157 -20.428 20.695 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -11.637 -19.799 21.243 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -13.095 -20.228 20.925 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -10.397 -17.567 29.165 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -10.631 -18.032 28.329 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -11.206 -17.112 29.414 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 0.344 -11.143 12.821 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 0.229 -10.355 12.235 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 0.364 -10.770 13.713 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 0.297 -8.694 11.688 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 0.961 -8.405 12.350 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 0.252 -7.955 11.066 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 2.060 -12.434 25.322 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 1.934 -12.753 26.240 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 2.994 -12.149 25.298 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -3.837 -14.584 16.646 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -3.827 -15.424 17.146 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -3.984 -13.903 17.332 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -1.852 -13.084 24.109 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -2.527 -13.260 23.410 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -1.136 -12.624 23.638 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 1.717 -16.313 27.068 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 1.210 -15.817 26.390 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 2.598 -15.899 27.058 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -1.559 -15.209 12.519 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -2.185 -15.464 13.240 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -1.840 -14.304 12.267 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -1.057 -16.627 21.445 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.074 -16.393 20.488 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -1.984 -16.872 21.648 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 1.391 -16.448 5.754 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 0.552 -16.405 6.226 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 2.019 -15.958 6.333 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -4.040 -18.694 15.690 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -4.344 -18.851 14.767 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -4.122 -19.570 16.121 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 1.004 -15.628 13.324 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 1.229 -16.373 12.733 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 0.065 -15.429 13.104 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -11.847 -18.156 16.067 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -11.623 -17.329 16.501 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -12.039 -18.773 16.810 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -3.086 -16.254 14.508 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.327 -15.642 15.229 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -3.371 -17.126 14.832 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -4.817 -18.843 13.052 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -5.334 -19.538 12.603 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -5.416 -18.058 13.046 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -15.933 -16.031 25.937 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -16.500 -16.410 26.643 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -15.228 -16.673 25.830 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 2.160 -16.622 38.117 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 2.007 -16.235 37.222 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 1.680 -16.040 38.710 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -1.204 -15.538 31.610 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -1.536 -16.222 30.990 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -1.759 -14.754 31.420 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -7.800 -15.051 25.956 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -7.923 -15.911 25.505 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -7.911 -15.255 26.887 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -17.856 -16.634 27.805 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -18.579 -16.897 28.378 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -18.111 -15.742 27.487 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -3.187 -15.263 28.325 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -4.116 -15.166 28.632 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -3.217 -14.991 27.378 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -1.023 -11.415 30.343 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -1.636 -10.685 30.447 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -1.588 -12.212 30.385 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -2.806 -13.599 30.417 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -3.755 -13.646 30.602 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -2.706 -14.084 29.568 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -2.030 -16.771 24.415 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -2.564 -16.750 23.583 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -1.685 -17.671 24.448 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 1.696 -11.166 29.845 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 0.741 -11.134 30.068 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 1.738 -11.765 29.075 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 1.024 -14.619 30.143 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 1.613 -15.363 30.389 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 0.179 -14.833 30.581 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.741 -17.793 29.087 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 1.068 -17.325 28.277 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 1.366 -17.520 29.786 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -1.770 -18.689 34.710 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -2.424 -18.888 35.406 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -2.120 -19.155 33.919 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -0.008 -16.812 33.763 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.476 -16.176 33.176 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -0.729 -17.360 34.151 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -3.862 -20.322 35.567 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -4.821 -20.500 35.492 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -3.535 -20.419 34.651 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -4.026 -18.465 30.777 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -4.784 -18.171 30.235 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -3.247 -18.071 30.332 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -17.956 -14.218 26.454 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -17.162 -14.661 26.086 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -17.948 -13.346 26.054 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 10.515 -41.677 16.779 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 9.861 -41.098 16.331 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 10.299 -41.591 17.732 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 8.211 -47.363 22.972 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 8.550 -47.689 22.108 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 8.785 -46.598 23.181 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 1.738 -42.893 20.355 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 1.064 -43.270 19.759 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 1.617 -43.387 21.191 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -0.285 -46.187 17.438 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 0.044 -46.021 16.522 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.107 -45.470 17.963 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 10.095 -41.339 19.467 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 10.653 -41.845 20.106 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 9.187 -41.541 19.738 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 9.659 -46.019 19.030 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 8.996 -45.769 18.367 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 10.522 -45.806 18.601 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 8.868 -40.107 15.196 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 8.363 -40.006 14.359 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 8.906 -39.191 15.558 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 7.112 -42.770 20.806 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 7.031 -42.149 21.563 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 8.012 -43.158 20.907 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 4.188 -40.433 11.224 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 4.612 -40.997 11.906 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 3.845 -41.061 10.577 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 16.396 -41.940 11.852 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 15.781 -42.149 12.591 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 17.267 -42.199 12.194 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 15.936 -44.051 16.083 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 15.723 -44.989 16.023 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 16.916 -44.026 16.029 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 12.633 -41.190 15.075 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 12.123 -40.736 14.394 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 11.954 -41.526 15.700 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 9.443 -44.903 23.418 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 8.985 -44.708 22.581 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 10.266 -44.364 23.363 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 8.481 -43.856 16.629 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 8.295 -43.693 15.685 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 9.340 -43.431 16.776 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 5.120 -44.702 21.067 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 5.051 -44.999 20.143 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 5.754 -43.955 21.025 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 3.781 -43.806 23.293 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 4.205 -44.153 22.476 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 2.827 -43.773 23.069 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 8.728 -37.484 15.936 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 8.533 -37.471 16.894 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 8.275 -36.701 15.587 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 14.085 -37.820 9.729 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 14.724 -37.349 10.297 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 14.271 -38.766 9.892 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 12.077 -33.911 6.864 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 12.161 -34.545 7.617 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 12.397 -34.410 6.102 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 14.188 -46.022 26.157 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 13.559 -46.783 26.169 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 14.630 -46.063 27.030 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 12.345 -48.033 26.158 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 11.817 -48.496 25.484 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 12.025 -48.409 27.009 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 3.677 -48.558 23.335 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 4.281 -47.794 23.262 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.269 -49.329 23.336 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 9.161 -48.314 20.600 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 9.371 -47.595 19.962 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 10.039 -48.581 20.961 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 6.920 -41.091 23.010 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 7.718 -40.727 23.419 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 6.395 -41.431 23.764 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 9.555 -43.896 20.839 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 9.714 -44.652 20.232 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 10.453 -43.632 21.136 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 13.962 -43.045 17.730 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 14.663 -43.298 17.089 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.198 -43.532 18.544 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 0.535 -45.622 14.878 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 0.264 -46.120 14.104 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 1.074 -44.886 14.513 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 7.520 -39.997 12.808 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 8.212 -40.349 12.208 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 7.142 -39.233 12.319 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -0.568 -43.960 19.167 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -0.952 -43.566 19.980 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -1.291 -44.478 18.791 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 19.061 -37.192 13.221 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 19.645 -37.086 12.467 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 19.499 -37.878 13.766 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 14.346 -43.711 20.373 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 14.946 -42.935 20.341 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 13.478 -43.335 20.656 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 1.988 -43.749 13.477 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 2.126 -42.796 13.644 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 2.802 -44.035 13.057 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 8.431 -42.650 14.072 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 8.824 -42.468 13.201 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 8.598 -41.836 14.582 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 15.857 -36.288 11.237 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 16.716 -36.701 11.402 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 15.457 -36.210 12.125 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 14.803 -42.498 13.987 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 14.091 -41.990 14.432 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 15.180 -43.050 14.697 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 5.488 -41.758 13.302 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 5.928 -42.522 13.707 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 6.204 -41.083 13.230 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.505 -41.497 11.540 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 10.462 -41.274 11.627 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.437 -41.897 10.667 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 11.369 -49.093 22.044 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 12.317 -49.243 22.043 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 11.086 -49.348 22.949 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 5.882 -38.222 11.467 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 5.324 -38.981 11.205 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 5.238 -37.502 11.634 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 12.027 -45.201 17.999 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 12.827 -45.695 18.275 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 12.376 -44.393 17.592 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 2.859 -41.137 13.909 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 2.739 -40.213 13.611 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 3.829 -41.274 13.882 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 12.629 -35.671 8.886 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 11.794 -35.770 9.406 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 13.107 -36.519 9.045 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 5.242 -42.301 24.998 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 4.538 -42.049 25.612 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 4.785 -42.875 24.336 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 1.525 -46.818 23.720 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 2.028 -46.435 24.470 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 2.072 -47.583 23.438 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 5.616 -46.592 23.137 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 6.543 -46.890 23.007 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 5.464 -45.959 22.405 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 7.396 -50.431 20.952 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 7.950 -49.625 20.859 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 7.611 -50.953 20.175 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.462 -44.298 18.513 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 6.727 -43.641 19.180 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 7.081 -44.150 17.772 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 8.981 -45.070 26.121 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 9.756 -45.579 26.386 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.036 -45.044 25.139 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 5.438 -47.044 25.931 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 4.539 -46.660 25.969 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 5.663 -47.018 24.982 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 5.744 -50.586 23.124 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 5.410 -51.484 23.047 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 6.320 -50.474 22.329 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 10.703 -49.783 24.641 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 9.721 -49.724 24.620 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 10.883 -50.454 25.311 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 7.853 -36.211 11.365 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 7.218 -36.948 11.360 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 7.584 -35.669 12.144 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 19.296 -41.885 16.505 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 19.859 -41.342 17.104 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 19.715 -41.776 15.630 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 18.878 -43.152 13.184 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 19.333 -43.667 12.511 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 19.562 -42.522 13.509 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 15.792 -41.428 19.926 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 16.668 -41.673 20.309 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 15.498 -40.663 20.476 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 2.222 -40.212 20.425 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 3.152 -39.959 20.483 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 2.234 -41.195 20.472 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 20.014 -43.269 24.197 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 19.959 -44.255 24.238 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 20.112 -43.000 25.137 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 14.488 -46.023 18.981 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 14.444 -45.278 19.620 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 15.216 -46.562 19.298 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 -1.952 -48.167 18.309 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 -1.302 -47.451 18.106 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 -2.403 -48.315 17.472 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 3.802 -36.405 11.580 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 3.770 -35.998 10.707 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 4.194 -35.694 12.160 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 12.254 -41.181 11.514 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 12.770 -41.849 11.982 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 12.909 -40.733 10.944 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 8.748 -31.778 11.008 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 8.136 -32.427 10.645 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 8.791 -32.001 11.964 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 10.366 -43.064 36.240 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 10.435 -42.245 35.693 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 10.515 -42.746 37.154 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 12.774 -44.591 35.943 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 13.327 -44.637 35.140 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.975 -44.109 35.659 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.671 -43.689 37.667 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 2.678 -42.760 37.957 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 3.625 -43.951 37.674 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 -1.044 -45.208 29.144 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 -0.603 -45.636 29.891 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 -1.321 -45.962 28.563 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 14.042 -49.662 35.271 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 13.124 -49.930 35.035 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 14.443 -49.438 34.428 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 1.314 -48.575 34.313 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 0.926 -47.863 34.864 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 1.016 -48.368 33.415 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 3.875 -48.459 35.204 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 4.202 -49.359 35.156 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 2.945 -48.523 34.887 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 18.158 -48.868 38.448 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 18.115 -49.684 38.957 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 17.304 -48.846 37.961 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 8.059 -44.443 36.992 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 8.820 -43.926 36.648 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 7.917 -45.125 36.324 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.858 -42.456 25.776 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 6.903 -42.473 25.548 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 8.076 -43.390 25.967 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 13.942 -43.865 31.023 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 13.502 -44.649 31.401 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 14.877 -43.979 31.264 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.855 -44.369 40.535 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.755 -44.184 40.188 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 14.416 -44.855 39.805 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 5.260 -44.442 37.284 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 5.131 -44.982 36.473 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 6.224 -44.303 37.326 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 13.907 -42.399 28.735 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 14.861 -42.302 28.560 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 13.869 -42.919 29.576 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 2.102 -44.492 41.214 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 1.987 -45.130 40.498 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 2.916 -44.798 41.684 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 1.962 -40.982 38.259 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 1.335 -41.249 37.535 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 2.426 -40.216 37.894 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 15.660 -48.763 37.291 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 15.244 -49.214 36.517 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 14.911 -48.538 37.857 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 3.340 -42.124 40.475 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 2.782 -42.894 40.716 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 2.797 -41.627 39.839 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 8.698 -49.235 27.130 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 8.150 -48.486 27.440 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 8.321 -49.459 26.253 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 5.288 -47.585 30.353 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 5.407 -47.366 29.418 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 4.326 -47.787 30.432 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 11.949 -47.941 30.900 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 12.409 -47.334 31.521 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 12.593 -48.092 30.199 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 11.637 -50.368 34.129 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 11.052 -49.816 33.561 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 11.272 -51.251 34.050 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 7.946 -49.587 24.531 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 7.140 -50.042 24.207 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 7.968 -48.748 24.018 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 2.561 -48.068 30.399 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 1.813 -47.767 30.955 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 2.176 -48.742 29.833 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 14.047 -45.546 38.187 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 13.630 -45.267 37.341 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 14.974 -45.759 37.938 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 0.300 -47.260 31.910 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 0.661 -46.365 32.115 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 -0.586 -47.258 32.331 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 7.985 -48.010 30.668 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 7.008 -48.054 30.684 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 8.190 -47.702 29.773 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 7.370 -46.928 27.817 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 7.875 -46.180 27.457 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 6.614 -47.028 27.188 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 4.463 -44.976 42.503 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 4.797 -44.057 42.562 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 5.175 -45.508 42.884 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 6.213 -46.489 32.741 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 5.729 -46.821 31.958 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 7.128 -46.745 32.577 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 11.134 -49.130 28.332 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 10.233 -49.257 27.954 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 10.981 -49.024 29.283 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 11.487 -41.077 41.264 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 10.542 -40.862 41.231 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 11.873 -40.372 41.842 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 16.838 -52.851 30.181 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 15.953 -53.206 30.083 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 17.409 -53.619 30.157 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 4.786 -45.900 35.004 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 4.455 -46.817 35.163 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 5.314 -45.980 34.175 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 -1.659 -46.548 37.152 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 -1.270 -46.144 37.942 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 -0.916 -46.584 36.516 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 8.894 -44.488 39.651 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 9.788 -44.824 39.430 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 8.416 -44.504 38.795 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 17.758 -43.818 29.285 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 17.362 -43.191 28.646 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 18.696 -43.536 29.344 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 2.495 -43.631 27.220 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.782 -43.720 28.134 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 1.564 -43.333 27.289 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 9.944 -49.096 32.349 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 9.128 -48.836 31.875 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 10.662 -48.672 31.832 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 13.668 -46.334 32.335 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 14.416 -46.719 31.831 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 14.092 -45.917 33.114 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 3.231 -45.517 25.398 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 3.563 -44.967 24.659 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 2.924 -44.863 26.064 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 0.124 -43.457 42.769 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 -0.662 -43.688 42.238 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 0.866 -43.883 42.288 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 7.734 -42.171 40.880 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 8.197 -42.957 40.525 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 8.197 -41.414 40.469 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 10.956 -42.223 38.808 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.101 -43.184 38.936 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 11.292 -41.820 39.635 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 7.245 -45.446 41.705 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 6.427 -45.367 41.206 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 7.937 -45.161 41.078 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 13.125 -44.389 45.202 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 13.844 -44.523 44.549 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 12.494 -45.086 45.006 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 11.388 -44.922 38.564 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 12.247 -45.328 38.797 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 11.418 -44.852 37.594 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 14.148 -41.785 41.144 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 13.185 -41.599 41.168 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 14.203 -42.738 40.922 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 16.919 -39.422 42.978 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 16.559 -38.782 42.314 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 16.295 -39.359 43.724 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 18.333 -43.983 33.626 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 18.231 -43.616 34.511 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 19.023 -43.408 33.200 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 13.898 -44.210 24.200 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 14.060 -44.961 24.821 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 13.476 -44.620 23.435 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 15.842 -47.021 30.778 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 16.461 -47.653 31.202 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 16.173 -46.143 31.062 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 2.412 -44.461 35.045 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 3.289 -44.893 34.962 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 2.428 -44.061 35.940 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 15.990 -41.108 39.193 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 15.336 -41.102 39.920 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 16.457 -41.958 39.301 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 18.326 -42.589 41.658 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 18.278 -42.748 42.624 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 18.806 -41.743 41.580 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 17.830 -47.718 32.526 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 18.542 -48.265 32.909 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 18.049 -46.822 32.803 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 15.108 -44.777 34.098 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 15.622 -44.431 34.860 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 15.694 -44.635 33.335 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 17.540 -45.491 44.208 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 16.642 -45.239 43.902 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 17.494 -46.442 44.319 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 20.134 -40.827 50.279 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 19.617 -40.847 49.444 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 20.953 -41.296 50.063 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 11.154 -35.027 49.948 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 10.353 -34.501 50.150 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 11.661 -35.027 50.786 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 14.065 -38.151 49.715 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 14.291 -37.412 49.099 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 13.158 -38.384 49.480 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.717 -40.088 45.684 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 12.207 -39.260 45.769 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 12.358 -40.777 45.965 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 15.098 -44.572 43.282 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 14.975 -44.641 42.311 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 15.295 -43.618 43.431 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 12.352 -38.981 42.764 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 12.803 -38.260 42.253 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 11.850 -38.498 43.457 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 18.518 -40.421 48.148 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 17.815 -39.761 48.331 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 18.099 -41.039 47.505 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 7.516 -35.964 48.759 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.978 -35.862 49.598 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.896 -35.267 48.193 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 14.277 -36.583 44.219 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 14.599 -37.468 44.473 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 14.166 -36.642 43.232 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 3.545 -38.722 44.179 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 2.767 -38.742 43.578 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 3.651 -39.654 44.462 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 6.612 -40.080 45.369 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 7.507 -40.285 45.045 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 6.767 -39.468 46.118 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 13.538 -42.004 46.399 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.028 -42.289 47.177 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 13.307 -42.845 45.938 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 7.621 -38.069 47.019 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 8.605 -38.052 47.102 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 7.319 -37.431 47.702 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 4.231 -41.359 44.551 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 5.027 -41.018 45.017 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.598 -41.834 43.773 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 8.113 -37.685 44.389 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 7.837 -37.680 45.334 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 8.674 -38.489 44.312 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 11.564 -37.161 44.609 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 10.960 -36.438 44.320 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 12.451 -36.744 44.611 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 5.378 -42.369 42.281 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 6.257 -42.350 41.833 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 4.733 -42.222 41.550 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 9.319 -40.139 44.438 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 9.438 -40.958 43.947 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.154 -40.054 44.967 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 17.008 -41.792 46.279 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 17.582 -42.216 45.599 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 16.144 -41.736 45.854 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 1.425 -41.425 44.059 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 2.328 -41.716 44.304 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 1.001 -42.236 43.683 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 15.549 -41.874 43.461 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 16.361 -41.358 43.298 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 15.008 -41.724 42.655 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 16.709 -38.458 48.857 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 16.638 -37.609 48.384 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 15.800 -38.627 49.177 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 1.640 -39.307 42.336 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 1.534 -40.138 42.840 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 1.087 -39.437 41.540 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 10.307 -37.520 47.039 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 10.856 -36.833 47.460 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 10.683 -37.602 46.142 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.548 -23.645 -0.278 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 5.162 -23.163 -1.040 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 5.463 -24.597 -0.526 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 8.798 -26.440 0.774 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 8.314 -27.089 0.216 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 9.540 -26.960 1.155 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 5.488 -27.372 1.954 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 4.741 -27.998 1.880 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 5.563 -26.982 1.062 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 11.460 -23.833 -2.288 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 10.939 -23.976 -3.114 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 11.491 -24.724 -1.869 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 4.890 -22.529 -4.655 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 4.313 -21.884 -5.070 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.691 -22.450 -3.699 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 10.608 -16.121 -2.281 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 10.697 -15.155 -2.108 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 11.531 -16.446 -2.299 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 11.149 -27.801 1.395 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 11.404 -28.745 1.367 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 11.885 -27.371 1.882 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 6.509 -25.597 -6.489 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 6.128 -26.223 -5.865 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 5.999 -25.724 -7.296 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 10.018 -20.458 -2.739 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 9.444 -20.624 -3.520 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 9.639 -19.647 -2.335 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 12.926 -20.073 1.662 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.261 -20.403 0.820 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 13.710 -19.670 2.090 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 13.997 -19.200 -2.751 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 13.554 -19.990 -2.364 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 14.178 -19.456 -3.660 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 12.461 -21.319 -1.969 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 11.629 -20.913 -2.307 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 12.345 -22.279 -2.148 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 16.254 -27.273 2.800 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 16.527 -27.524 3.709 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 17.080 -26.930 2.388 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 11.144 -27.797 4.526 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 10.729 -28.443 3.942 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 11.930 -27.491 4.026 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.633 -26.307 -0.629 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 4.824 -26.843 -0.804 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 6.372 -26.895 -0.896 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 7.080 -28.720 3.775 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.049 -29.629 3.401 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 6.694 -28.159 3.065 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 8.927 -18.191 -1.691 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 8.069 -17.883 -2.036 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.549 -17.474 -1.932 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 4.479 -21.817 -2.049 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 5.212 -21.186 -2.237 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 3.892 -21.328 -1.461 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 -0.774 -20.954 0.986 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 -1.420 -20.885 0.275 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 -0.556 -20.014 1.207 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 6.650 -17.133 -2.951 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 6.227 -17.349 -3.814 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.769 -16.162 -2.986 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 5.272 -17.524 -5.272 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 5.182 -16.590 -5.577 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 4.357 -17.778 -5.013 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 19.334 -27.856 6.101 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 18.619 -28.473 5.884 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 19.124 -27.057 5.579 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 9.863 -27.021 6.810 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 9.261 -27.778 6.950 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 10.394 -27.290 6.023 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 3.516 -28.017 -0.673 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 3.777 -28.960 -0.661 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 2.553 -28.038 -0.650 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 3.447 -29.228 2.607 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 3.172 -30.170 2.635 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 3.872 -29.079 3.478 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 14.092 -19.124 6.505 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 14.985 -19.401 6.205 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 14.058 -19.402 7.434 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 7.604 -28.168 -0.951 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 7.967 -28.648 -1.702 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 7.195 -28.873 -0.387 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 6.392 -30.091 0.464 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 5.499 -30.364 0.169 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 6.509 -30.548 1.323 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 9.860 -24.193 -4.445 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 10.141 -24.592 -5.273 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 8.988 -23.796 -4.656 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 19.611 -24.978 -0.485 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 19.816 -24.225 0.108 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 20.128 -24.806 -1.275 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 7.772 -23.959 1.218 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 7.092 -23.825 0.522 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 8.168 -24.836 0.999 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 0.966 -28.446 1.880 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 1.899 -28.597 2.165 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 0.893 -27.483 1.806 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 11.101 -26.072 -0.795 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 10.153 -26.037 -0.584 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 11.452 -26.744 -0.186 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 8.087 -20.717 -4.661 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 7.932 -21.619 -5.015 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 7.862 -20.121 -5.415 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 7.390 -23.311 -5.299 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 7.213 -24.124 -5.819 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 6.494 -23.012 -5.017 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 7.178 -18.981 -6.565 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 6.497 -18.442 -6.106 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 6.997 -18.845 -7.497 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 4.714 -29.175 5.063 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 5.629 -28.977 4.775 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 4.712 -30.148 5.197 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 12.414 -30.269 1.581 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 12.577 -30.835 0.819 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 13.316 -29.979 1.864 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 6.633 -31.251 2.980 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 7.504 -31.690 3.129 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 6.033 -31.684 3.622 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 14.749 -29.573 2.698 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 15.093 -30.173 3.395 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 15.438 -28.873 2.623 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 13.334 -27.193 2.915 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.099 -26.595 2.864 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 13.735 -28.085 2.909 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 15.318 -18.913 2.424 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 15.121 -18.140 1.855 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 16.171 -18.681 2.854 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 4.612 -31.898 4.873 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 3.838 -31.926 4.275 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 4.273 -32.256 5.722 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 2.410 -31.744 3.172 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 2.143 -32.576 2.766 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 1.934 -31.733 4.040 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 8.775 -29.464 6.083 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 8.221 -29.359 5.289 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 9.186 -30.343 5.977 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 8.311 -28.728 11.853 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 7.578 -29.351 12.057 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 8.528 -28.338 12.698 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 9.175 -32.039 3.490 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 9.491 -32.105 4.414 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 9.982 -31.962 2.971 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 12.459 -31.156 4.248 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 12.409 -30.797 3.343 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 13.424 -31.230 4.423 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 1.557 -31.729 5.700 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 2.145 -32.087 6.398 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 1.264 -30.862 6.055 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 10.444 -36.312 10.428 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 10.657 -37.086 10.957 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 9.512 -36.106 10.673 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 2.747 -17.924 -4.332 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 2.649 -17.988 -3.355 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 1.864 -18.100 -4.671 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 18.400 -20.853 2.006 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 18.198 -19.917 2.167 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 17.920 -21.321 2.702 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 15.907 -21.458 3.704 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 16.130 -20.932 4.505 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.556 -20.795 3.079 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 18.556 -26.166 1.759 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 19.403 -26.123 2.241 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 18.796 -25.929 0.836 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.918 -30.766 -0.524 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 4.024 -31.593 -1.006 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 2.965 -30.753 -0.274 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 16.766 -25.854 6.829 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 15.783 -25.826 6.769 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 16.944 -25.991 7.784 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 16.544 -28.203 5.358 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 16.610 -27.369 5.861 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 15.999 -28.781 5.929 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 -0.712 -29.365 3.928 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 -0.649 -30.325 3.874 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 -0.175 -29.046 3.172 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 16.600 -31.823 9.723 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 17.020 -31.725 10.609 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 16.132 -32.674 9.773 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 16.429 -16.173 -4.147 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 16.239 -16.774 -3.417 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 17.365 -16.305 -4.327 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 13.250 -16.928 -1.478 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 13.808 -16.973 -0.671 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 13.525 -17.719 -2.003 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 5.468 -21.977 1.879 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 5.753 -21.138 1.455 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 5.353 -22.592 1.125 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 6.454 -20.017 -2.579 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 6.422 -19.059 -2.747 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 7.091 -20.356 -3.250 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 10.444 -31.802 5.886 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 10.804 -32.578 6.360 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 11.198 -31.493 5.327 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.511 -31.803 7.938 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 12.992 -32.468 7.437 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 14.023 -32.332 8.570 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 3.439 -21.138 14.665 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.302 -21.611 15.520 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 4.369 -20.892 14.681 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.099 -28.859 12.370 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 13.064 -28.900 13.328 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 14.031 -28.634 12.174 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 6.461 -30.410 12.961 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 5.607 -30.566 13.393 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 6.941 -31.248 13.069 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 2.873 -27.446 6.088 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 2.070 -28.008 6.167 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 3.578 -28.078 5.824 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 17.703 -31.151 12.181 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 17.927 -30.203 12.298 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 17.987 -31.567 13.013 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 3.753 -23.373 9.924 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 3.787 -22.510 10.380 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 3.578 -23.144 8.991 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 6.129 -21.279 11.931 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 6.735 -20.969 12.639 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 6.690 -21.332 11.152 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 1.721 -29.346 10.042 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 1.220 -29.546 10.846 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 1.067 -28.927 9.450 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 1.682 -19.946 12.993 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 0.820 -20.403 13.112 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 2.242 -20.293 13.730 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 15.172 -29.803 7.131 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 15.599 -29.439 7.938 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 14.672 -30.583 7.456 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 15.117 -31.312 4.859 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 15.220 -30.640 5.565 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 15.491 -32.126 5.255 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 16.088 -33.077 6.889 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 16.725 -32.540 7.378 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 15.741 -33.695 7.554 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 3.270 -32.316 12.523 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 3.575 -31.791 13.288 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 3.852 -33.117 12.538 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 3.147 -31.649 9.718 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 2.717 -30.764 9.743 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.251 -31.888 10.659 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 1.308 -22.762 11.609 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.631 -22.219 12.059 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 2.076 -22.168 11.530 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 3.563 -32.797 7.313 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 4.022 -33.590 7.609 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 3.409 -32.285 8.150 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 7.343 -29.020 38.551 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 6.487 -29.033 39.034 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 7.408 -29.897 38.166 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 16.575 -20.843 36.329 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 17.303 -21.327 35.887 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 16.318 -20.150 35.672 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 15.170 -25.121 38.190 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 14.737 -25.562 37.431 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 14.958 -24.169 38.065 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 17.658 -25.788 36.928 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 16.882 -25.664 37.507 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 17.371 -26.462 36.284 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 11.412 -25.195 36.776 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 11.153 -25.530 37.657 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 12.260 -25.619 36.601 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 4.887 -26.395 37.128 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 4.314 -25.630 37.263 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 4.318 -27.162 37.341 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 8.133 -18.670 40.022 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 8.427 -19.517 39.618 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 7.160 -18.688 39.939 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 -1.430 -22.652 38.624 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 -1.710 -23.112 37.806 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 -1.825 -23.175 39.336 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 -0.563 -22.630 34.924 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 -1.058 -22.790 34.083 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 0.277 -23.130 34.804 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 9.340 -20.971 39.156 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 9.818 -21.469 39.859 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 10.003 -20.887 38.432 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 7.553 -26.409 37.963 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 6.650 -26.287 37.596 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 7.582 -27.366 38.201 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 7.158 -24.631 40.279 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 6.712 -25.419 40.671 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 7.346 -24.900 39.368 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 14.434 -26.184 35.713 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 15.140 -26.848 35.574 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.556 -25.554 34.994 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 -0.529 -28.297 36.967 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 -1.192 -27.660 36.630 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 -0.350 -28.888 36.197 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 13.147 -20.533 38.913 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 12.835 -19.850 39.543 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.373 -20.698 38.337 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 17.964 -28.692 42.151 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 17.648 -27.806 42.412 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 18.061 -28.632 41.173 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 6.843 -19.826 37.369 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 6.393 -19.459 38.160 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 7.421 -19.091 37.060 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 10.060 -25.956 39.106 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 9.199 -26.366 38.899 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 10.122 -26.009 40.087 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 12.110 -18.534 40.538 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 12.475 -17.626 40.635 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 11.727 -18.732 41.405 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 1.806 -23.957 34.714 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 1.950 -24.907 34.656 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 2.359 -23.675 35.476 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 8.045 -22.919 42.232 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 7.579 -23.421 41.523 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 8.100 -23.548 42.973 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 10.232 -25.902 41.868 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 9.578 -25.561 42.508 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 10.692 -26.610 42.355 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.742 -25.072 41.371 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.540 -25.506 40.525 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 15.275 -24.291 41.116 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 2.953 -28.480 37.878 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 2.065 -28.147 38.068 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 2.789 -29.343 37.431 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.584 -27.586 43.733 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 12.129 -26.774 43.637 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 12.175 -28.211 44.213 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 13.190 -25.387 43.619 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 13.728 -25.200 42.815 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 12.623 -24.602 43.715 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 4.908 -29.073 39.792 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 4.575 -29.789 40.380 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 4.161 -28.902 39.176 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 6.786 -35.313 41.997 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 6.991 -34.737 42.762 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 6.865 -34.714 41.222 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.472 -23.326 40.041 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 15.907 -22.816 39.421 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 16.569 -24.195 39.611 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 13.990 -28.573 31.921 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 14.517 -28.418 32.714 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 14.461 -28.071 31.222 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 14.941 -22.351 38.012 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 14.263 -21.717 38.352 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.453 -21.825 37.359 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 17.039 -26.098 42.705 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 16.912 -26.053 43.680 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 16.177 -25.821 42.340 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 17.076 -32.223 44.713 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.485 -33.002 44.761 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 16.466 -31.475 44.628 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 -1.284 -32.015 36.229 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 -0.882 -31.281 35.702 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 -0.680 -32.769 36.085 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 1.094 -21.571 38.132 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 0.251 -21.960 38.454 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 0.819 -20.997 37.386 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 4.543 -20.791 36.257 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 3.878 -20.108 36.502 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 5.378 -20.468 36.662 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 10.298 -23.008 40.710 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 10.651 -23.897 40.857 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 9.557 -22.936 41.348 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 3.487 -20.824 39.402 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 3.636 -21.643 39.885 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 2.616 -20.956 38.972 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 8.219 -17.634 36.502 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 7.591 -17.406 35.773 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 8.426 -16.785 36.912 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 10.725 -18.652 35.885 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 9.801 -18.390 36.071 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 11.226 -17.820 35.963 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 11.125 -20.998 37.140 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.053 -20.173 36.598 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 11.317 -21.690 36.495 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 12.708 -15.895 40.199 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 11.811 -15.716 39.887 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 13.275 -15.714 39.421 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 3.161 -23.103 36.937 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 3.763 -22.360 36.725 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 2.431 -22.684 37.436 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 14.496 -26.799 48.619 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 14.100 -26.587 47.745 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 14.230 -27.727 48.780 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.123 -33.256 46.493 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.753 -32.824 47.108 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.679 -33.506 45.723 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 16.857 -34.237 47.611 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 17.403 -34.640 46.916 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 17.398 -34.344 48.426 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 9.514 -28.869 45.025 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 10.186 -28.380 44.503 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 9.925 -28.967 45.910 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 17.209 -27.387 48.486 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 16.281 -27.133 48.670 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 17.142 -27.998 47.728 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.782 -26.465 46.025 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 13.583 -25.985 45.190 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 13.616 -27.415 45.802 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 10.711 -32.081 46.843 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 10.955 -31.162 47.082 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 11.577 -32.531 46.696 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 13.966 -29.511 48.294 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 14.342 -30.347 48.626 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 14.112 -29.557 47.325 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 9.573 -35.454 43.851 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.933 -34.722 43.874 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.023 -36.255 43.984 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 5.462 -32.048 45.149 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 5.287 -31.754 46.046 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 5.592 -31.208 44.640 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 9.076 -31.609 44.758 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.740 -31.804 45.453 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 9.021 -30.634 44.750 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 7.487 -33.639 44.114 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 6.646 -33.268 44.455 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 8.132 -32.899 44.221 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 5.655 -29.805 43.706 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 5.139 -29.960 42.890 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 6.183 -29.007 43.511 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 11.642 -22.073 46.702 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 11.393 -21.152 46.577 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 12.407 -22.032 47.323 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 13.768 -21.828 48.390 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 14.151 -21.380 49.149 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 14.283 -22.668 48.321 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 21.116 -30.473 50.202 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 20.792 -29.817 50.830 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 20.877 -30.103 49.325 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 11.033 -24.339 45.318 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 11.201 -23.442 45.697 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 11.400 -24.943 45.975 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 15.212 -24.123 48.288 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 14.890 -24.976 48.640 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 15.906 -24.371 47.666 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 8.831 -20.067 42.474 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 8.529 -19.586 41.689 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 8.471 -20.962 42.364 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 11.256 -29.370 47.128 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 11.697 -29.193 47.973 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 11.966 -29.222 46.455 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 12.437 -35.650 54.699 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 11.966 -35.785 55.525 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 13.264 -36.175 54.803 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 8.606 -33.782 47.317 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.238 -33.920 46.431 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.377 -33.188 47.165 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.125 -31.007 41.596 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 3.234 -31.114 41.181 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 4.299 -31.879 42.007 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 6.164 -26.981 41.133 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.704 -27.726 40.697 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.621 -27.391 41.891 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 8.696 -25.057 44.061 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 8.044 -24.889 44.782 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 9.564 -24.815 44.466 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 7.047 -24.355 46.123 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 6.099 -24.368 46.293 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 7.403 -23.774 46.805 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 7.522 -27.703 43.453 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.129 -28.224 44.021 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 7.788 -26.779 43.609 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 16.454 -26.300 45.374 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.732 -27.192 45.658 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 15.539 -26.222 45.698 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 19.763 -26.931 49.264 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 18.810 -27.083 49.047 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 19.806 -25.998 49.489 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 20.318 -29.192 47.877 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 19.660 -29.078 47.178 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 20.266 -28.351 48.393 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 17.085 -28.925 46.153 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 17.664 -29.380 45.528 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 16.236 -29.435 46.105 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 15.148 -32.082 47.887 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 15.837 -32.777 47.806 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 15.231 -31.562 47.054 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 14.955 -33.983 44.520 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 14.778 -34.950 44.435 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 14.822 -33.635 43.611 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 14.864 -36.729 51.940 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 14.630 -37.384 51.247 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 14.159 -36.049 51.872 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 19.157 -36.125 47.287 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 19.112 -35.683 48.157 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 19.716 -36.909 47.447 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 1.755 -35.849 43.358 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 1.568 -35.623 42.422 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 0.927 -36.259 43.673 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 8.817 -33.602 50.042 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 8.781 -33.605 49.060 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 8.105 -33.011 50.301 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 14.781 -37.062 54.660 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 15.561 -37.547 54.941 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 14.880 -36.991 53.686 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 14.937 -36.198 48.072 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 15.493 -35.417 47.870 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 14.045 -35.950 47.741 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 4.297 -35.881 44.221 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.358 -35.865 43.905 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.255 -36.373 45.049 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 12.285 -35.626 47.602 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 12.405 -34.778 47.126 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 11.876 -35.363 48.462 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 7.293 -7.122 1.429 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 7.897 -6.424 1.077 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 6.851 -7.466 0.646 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 10.804 -1.222 1.797 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 10.031 -0.734 1.489 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 11.571 -0.697 1.460 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 17.088 -15.579 1.829 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 17.916 -15.704 2.329 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 16.758 -14.707 2.128 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 13.710 -13.944 0.887 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 13.770 -14.004 -0.092 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 13.467 -13.006 1.051 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 5.065 -14.913 -5.894 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 4.695 -14.380 -6.606 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 5.558 -14.282 -5.353 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 12.601 -12.974 -5.992 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.134 -13.588 -5.441 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 12.232 -13.535 -6.682 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 19.127 -15.928 3.805 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 20.017 -16.249 4.056 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 18.928 -15.244 4.476 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 3.205 -15.910 0.174 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 2.256 -15.903 0.437 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 3.649 -15.372 0.877 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 8.940 -5.241 0.339 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 8.917 -4.557 -0.334 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 9.295 -4.782 1.135 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 13.583 -14.246 -1.845 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 13.888 -14.086 -2.766 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 13.539 -15.224 -1.778 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 4.099 -15.263 -2.392 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 3.706 -15.339 -1.500 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 3.496 -15.759 -2.961 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 3.609 -7.381 4.279 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 2.858 -7.636 3.734 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 3.297 -6.570 4.755 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 15.673 -8.613 1.570 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 16.223 -7.942 2.020 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 15.690 -9.384 2.177 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 15.601 -13.454 2.794 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 14.897 -13.720 2.167 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 15.236 -13.678 3.677 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 7.947 -16.601 1.283 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 7.337 -16.500 0.533 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 7.553 -17.322 1.807 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 15.876 -11.509 6.077 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 16.809 -11.754 6.255 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 15.472 -12.337 5.737 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 15.109 -10.766 3.093 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 14.359 -10.871 2.474 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 15.538 -11.646 3.095 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 15.246 -4.956 1.414 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 14.379 -5.209 1.044 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 15.065 -4.143 1.918 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 9.846 -3.733 2.425 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 9.167 -3.435 3.073 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 10.300 -2.905 2.163 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 4.889 -9.241 6.010 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 4.393 -8.635 5.424 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 4.745 -8.876 6.910 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 10.484 2.142 6.049 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 10.181 2.973 5.667 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 11.167 2.403 6.678 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 18.452 -2.738 6.522 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 18.385 -3.361 5.773 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 19.332 -2.343 6.426 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 10.974 -5.093 6.085 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.438 -4.277 6.054 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 10.416 -5.720 6.586 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 14.555 -13.888 5.312 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 13.787 -13.752 5.883 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 14.789 -14.841 5.446 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 5.711 -17.177 -0.317 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 4.854 -16.743 -0.149 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 5.830 -17.109 -1.284 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 7.438 -9.278 4.822 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 6.598 -9.629 5.181 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 7.212 -8.360 4.555 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 10.804 -12.087 -4.027 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 10.188 -12.848 -4.112 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 11.436 -12.211 -4.762 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 5.454 -13.497 4.739 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 4.869 -12.940 5.284 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 6.301 -13.494 5.228 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 10.360 -11.937 3.848 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 10.399 -11.667 2.909 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 9.565 -11.513 4.184 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 6.550 -14.337 -3.084 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 5.611 -14.589 -2.909 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.774 -13.747 -2.352 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 15.097 -0.832 8.079 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 15.008 0.131 8.227 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 14.233 -1.191 8.330 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.769 -5.191 5.591 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 3.168 -5.239 6.492 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.473 -4.279 5.512 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 10.394 -11.077 1.225 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 10.278 -11.058 0.251 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 9.750 -10.403 1.559 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 8.683 -9.342 2.370 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 8.274 -9.460 3.250 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 8.289 -8.513 2.035 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 13.113 -11.225 1.133 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 12.136 -11.204 1.251 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 13.287 -10.524 0.479 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 16.489 -5.605 6.812 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 16.247 -4.759 7.220 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 17.169 -5.368 6.155 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.891 -6.103 0.355 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 12.402 -5.838 -0.432 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 13.148 -7.033 0.176 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 13.026 0.180 1.171 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 13.575 0.700 0.576 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 13.625 -0.044 1.916 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 12.038 -5.442 2.914 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 11.237 -4.885 2.848 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 12.238 -5.684 1.989 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 15.404 -3.185 3.656 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 14.702 -3.471 4.281 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 16.193 -3.660 3.951 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 1.557 -15.047 3.447 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 1.095 -14.243 3.790 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 1.529 -15.676 4.203 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.162 -14.332 -4.125 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.496 -15.159 -3.746 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.208 -14.343 -3.921 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 11.854 -18.564 4.913 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 12.604 -18.821 5.493 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 11.112 -18.432 5.524 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 10.631 -10.943 -1.556 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 10.631 -11.307 -2.476 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 10.988 -10.053 -1.657 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 2.342 -17.859 -1.644 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 1.594 -18.266 -1.193 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 2.738 -17.274 -0.967 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 9.445 -2.885 6.688 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 9.591 -1.990 6.312 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 8.475 -3.018 6.618 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 1.726 -8.643 7.713 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 1.494 -9.477 8.182 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 0.887 -8.321 7.373 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 1.785 -12.771 6.964 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 2.636 -12.303 6.805 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 2.057 -13.685 7.181 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 4.325 -11.825 6.786 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 4.513 -10.944 6.394 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 4.596 -11.730 7.725 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 8.780 -9.133 7.176 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 8.309 -9.218 6.321 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.920 -8.168 7.276 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 5.140 -15.277 9.847 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 5.266 -14.829 10.707 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 4.321 -15.789 9.963 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 14.549 -0.601 3.351 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 14.931 -1.506 3.280 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 15.048 -0.192 4.092 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 13.791 -8.704 -0.341 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 14.472 -8.640 0.376 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 14.306 -8.877 -1.137 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 18.113 -4.822 4.655 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 17.694 -5.496 4.073 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 19.037 -4.769 4.328 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 15.669 -10.062 8.344 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 16.532 -10.227 8.789 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 15.685 -10.662 7.567 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 15.066 -11.749 -5.379 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 15.410 -11.036 -5.921 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 14.150 -11.874 -5.696 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 18.518 -11.801 6.972 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 19.171 -11.221 6.564 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 18.422 -11.449 7.886 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 0.268 -13.029 4.707 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 0.792 -12.880 5.527 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 -0.497 -12.458 4.810 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 16.498 -16.973 8.145 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 15.915 -16.325 8.622 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 16.139 -17.850 8.410 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 -1.586 -14.325 0.454 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 -2.477 -14.653 0.295 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 -1.648 -13.378 0.290 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 19.158 -14.458 6.189 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 19.914 -14.648 6.774 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 18.837 -13.582 6.488 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 -0.328 -18.418 1.784 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 -0.871 -18.276 2.586 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 -0.052 -17.516 1.517 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 11.538 -2.891 8.340 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 11.462 -3.725 8.862 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 10.819 -2.964 7.675 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 9.951 -0.468 5.625 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 10.035 0.513 5.692 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 10.766 -0.745 5.144 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 16.650 -19.822 5.743 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 17.102 -19.163 5.178 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.356 -20.159 6.331 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 13.226 -3.720 5.295 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 12.801 -2.906 4.943 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 12.465 -4.303 5.523 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 11.009 -13.688 -1.210 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 10.751 -12.744 -1.238 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 11.968 -13.679 -1.420 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 14.731 -16.598 0.888 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 15.672 -16.362 1.073 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 14.252 -15.755 1.009 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 6.259 -19.972 0.164 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 6.160 -19.008 0.282 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 6.447 -20.075 -0.791 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 14.497 -14.248 -4.432 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 14.982 -13.418 -4.640 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 15.195 -14.942 -4.433 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 13.982 -3.984 7.953 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 13.913 -3.992 6.978 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 13.155 -3.541 8.243 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 9.335 -9.346 18.055 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 9.437 -10.193 17.576 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 9.087 -9.617 18.963 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 11.953 -2.504 14.164 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 12.132 -3.140 14.864 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 12.424 -1.698 14.447 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 2.718 -11.169 11.217 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 2.023 -11.294 11.887 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 2.217 -11.012 10.385 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 2.136 -7.627 13.522 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 3.033 -7.273 13.346 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 2.217 -8.062 14.405 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 10.502 -7.132 14.520 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 11.188 -7.544 13.984 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 10.853 -7.185 15.440 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 11.133 -7.505 17.151 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 10.570 -8.212 17.535 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 11.749 -7.285 17.857 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 14.104 -15.415 17.506 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 14.853 -15.795 17.026 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 13.712 -14.780 16.874 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 13.518 -14.766 20.084 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 12.673 -15.242 20.226 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 13.804 -15.053 19.184 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 5.259 -11.869 15.772 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 5.213 -11.714 14.813 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 4.395 -12.277 15.991 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 14.379 -15.795 12.474 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 13.609 -15.495 12.964 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 15.039 -16.011 13.173 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 2.460 -8.960 15.937 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 1.920 -9.603 16.434 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 3.267 -8.875 16.466 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 9.164 -9.991 14.724 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 8.537 -9.339 15.073 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 9.235 -10.661 15.434 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 18.729 -13.785 20.642 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 18.991 -13.423 19.779 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 17.755 -13.739 20.632 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 3.874 -15.357 16.842 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 3.737 -15.601 17.774 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.512 -14.443 16.779 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 3.874 -9.015 18.647 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 3.746 -8.388 19.367 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 4.637 -9.561 18.939 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 3.430 -6.477 10.386 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 2.509 -6.239 10.623 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 3.894 -6.514 11.249 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 15.192 -2.619 15.305 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 15.877 -2.170 14.751 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 15.704 -3.138 15.939 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 14.699 -4.236 12.995 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 14.761 -3.682 13.793 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 13.930 -3.873 12.509 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 15.522 -7.160 20.070 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 15.528 -7.598 20.928 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 16.080 -7.731 19.506 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 15.079 -11.896 22.531 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 15.091 -12.177 23.465 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 15.457 -10.985 22.551 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 8.446 -7.513 12.663 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 7.718 -7.948 13.156 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 9.136 -7.354 13.346 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 8.222 -7.615 16.024 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 9.024 -7.270 15.579 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 8.563 -8.039 16.837 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 1.789 -10.744 17.976 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 1.337 -11.013 18.806 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 2.517 -10.162 18.280 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 5.948 -3.921 9.383 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 5.807 -4.452 10.186 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 6.890 -3.672 9.430 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 9.634 0.000 11.022 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 8.713 -0.243 10.872 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 10.044 -0.046 10.121 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 13.194 -3.201 10.936 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 13.573 -2.339 11.230 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 12.226 -3.082 11.036 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 10.567 -2.585 11.801 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 10.317 -1.649 11.701 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 10.974 -2.630 12.698 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.858 -13.384 20.326 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 15.161 -14.065 20.422 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.701 -12.775 21.079 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 6.681 -15.081 16.170 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 5.743 -15.261 15.986 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 6.711 -14.964 17.133 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 6.905 -12.300 17.874 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 6.340 -12.155 17.071 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 6.651 -13.195 18.188 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 12.368 -11.311 22.653 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 12.312 -11.016 23.586 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 13.323 -11.481 22.515 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 18.257 -14.967 15.387 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.501 -15.506 15.049 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.512 -15.419 16.225 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 6.124 -14.712 18.944 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 6.487 -15.356 19.560 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 5.153 -14.779 19.075 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 3.084 -15.189 7.471 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 3.967 -14.827 7.646 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 2.890 -15.735 8.269 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 12.466 -12.194 20.088 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 12.918 -13.020 20.358 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 12.269 -11.741 20.936 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 9.357 -11.846 16.713 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 8.466 -12.092 17.052 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 9.969 -12.464 17.183 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 5.031 -11.399 12.914 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 4.257 -11.197 12.351 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 5.221 -12.345 12.724 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 13.316 -13.354 15.724 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 13.535 -12.812 16.509 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 14.133 -13.328 15.181 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 5.501 -14.104 12.464 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 4.847 -14.602 13.013 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 6.367 -14.305 12.887 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 10.899 -13.443 18.286 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 11.021 -14.331 18.657 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 11.414 -12.861 18.887 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 5.631 -7.178 15.379 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 6.589 -7.227 15.623 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 5.190 -6.949 16.204 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 0.724 -11.518 20.374 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 0.711 -11.750 21.333 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 -0.209 -11.624 20.094 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 9.626 -11.611 22.838 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 10.590 -11.539 22.693 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 9.235 -11.123 22.091 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 18.529 -11.911 11.757 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 17.965 -11.218 12.151 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 19.380 -11.834 12.243 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 17.530 -8.457 18.621 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 17.301 -9.401 18.470 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 18.393 -8.494 19.102 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.877 -5.382 11.663 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 7.434 -6.116 11.988 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 7.515 -4.777 11.229 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 4.239 -8.469 8.634 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.212 -7.779 9.327 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 3.318 -8.479 8.275 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 4.622 -6.428 12.891 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 5.364 -5.940 12.470 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 4.965 -6.660 13.780 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 3.504 -15.461 19.691 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 2.585 -15.761 19.676 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 3.602 -15.040 20.574 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 6.446 -5.878 6.605 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 6.391 -6.281 5.711 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.546 -5.979 6.971 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 4.051 -5.271 7.988 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 3.680 -5.769 8.748 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 4.715 -4.672 8.399 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 6.442 -9.113 13.580 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 5.869 -9.898 13.433 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 5.971 -8.598 14.264 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 15.087 -15.375 9.789 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 15.761 -14.697 9.999 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 14.719 -15.624 10.664 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 11.206 -5.272 9.563 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.518 -5.950 9.724 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 11.960 -5.564 10.114 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 10.508 -14.189 11.791 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 10.683 -13.889 12.711 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 11.380 -14.400 11.441 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 9.393 -7.260 10.106 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 9.056 -7.321 11.028 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 9.916 -8.083 9.987 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 18.949 -16.800 17.286 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 19.404 -17.357 16.625 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 19.532 -16.834 18.066 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 16.833 -10.998 17.871 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 15.949 -11.369 18.075 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 16.813 -10.857 16.901 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 6.762 -3.150 6.367 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 6.697 -4.132 6.368 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 6.132 -2.874 7.045 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 4.800 -11.035 9.382 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 4.143 -11.226 10.079 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 4.659 -10.086 9.175 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 1.077 -13.189 14.558 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 1.060 -14.114 14.228 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 0.934 -12.651 13.760 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 8.991 -6.426 7.538 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 8.081 -6.140 7.294 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 8.940 -6.595 8.505 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 6.305 -6.935 4.043 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 5.338 -7.072 3.941 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 6.635 -6.850 3.123 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 3.611 -12.019 20.581 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 3.629 -12.778 21.202 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 2.663 -11.820 20.478 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 5.814 -10.648 19.733 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 5.080 -11.191 20.108 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 6.185 -11.208 19.017 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 14.959 -9.397 27.341 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 14.484 -10.081 27.835 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 15.898 -9.546 27.572 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 8.506 -10.692 20.409 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 7.555 -10.459 20.362 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 8.541 -11.603 20.091 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 15.037 -11.835 25.374 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 14.986 -12.058 26.331 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 15.893 -11.364 25.284 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 8.179 -2.236 4.074 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 7.527 -2.534 4.737 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 8.646 -1.506 4.511 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 1.035 -5.877 11.636 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 1.322 -6.325 12.457 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 0.549 -5.104 11.944 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 16.581 -10.138 12.647 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 15.971 -10.827 12.295 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 16.587 -10.299 13.617 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 17.596 -5.531 19.328 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 16.709 -5.782 19.652 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 17.946 -6.349 18.946 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 18.123 -10.553 9.397 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 18.757 -9.846 9.674 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 18.173 -11.207 10.125 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 17.232 -13.855 10.467 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 17.891 -14.439 10.040 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 17.776 -13.222 10.991 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 15.292 -12.419 11.959 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 15.297 -12.906 12.806 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 15.810 -12.984 11.357 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 21.645 -8.639 22.070 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 22.074 -9.476 21.764 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 21.121 -8.907 22.832 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 14.995 -16.507 5.817 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 15.618 -16.567 6.562 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 14.526 -17.361 5.831 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 15.744 -13.637 14.481 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 16.570 -13.357 14.902 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 15.802 -14.623 14.476 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 19.140 -12.549 18.076 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 18.343 -12.027 18.297 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 19.240 -12.428 17.109 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 14.391 -12.254 18.149 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 14.935 -12.823 18.730 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 13.634 -11.992 18.716 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 3.440 -14.270 22.183 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 2.511 -14.583 22.288 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 3.812 -14.332 23.093 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 2.835 -12.875 16.582 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 2.160 -13.001 15.872 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 2.464 -12.159 17.139 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 18.784 -15.842 9.360 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 18.048 -16.263 8.875 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.846 -16.353 10.201 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 0.958 -17.743 11.546 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 -0.018 -17.829 11.589 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 1.290 -18.509 12.070 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 14.488 -1.097 12.075 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 14.253 -0.182 12.314 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 15.339 -1.251 12.530 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 -1.202 -15.938 18.835 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 -1.725 -16.387 18.153 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 -1.015 -15.049 18.450 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 10.828 -13.346 14.402 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 10.353 -12.678 14.919 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 11.696 -13.426 14.858 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 3.708 -15.422 14.080 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 2.763 -15.502 13.849 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 3.733 -15.591 15.044 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 3.494 -20.888 11.155 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 2.975 -20.380 11.818 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 4.409 -20.903 11.527 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 7.881 -14.390 13.808 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 7.465 -14.659 14.662 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 8.831 -14.393 13.998 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 2.704 -16.805 9.608 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 2.756 -17.715 9.247 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 2.110 -16.893 10.383 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 8.663 -3.822 10.209 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 9.232 -4.154 9.498 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 9.296 -3.440 10.860 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 2.193 -12.980 32.019 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 1.710 -13.471 31.328 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 2.304 -12.094 31.641 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 15.382 -13.796 36.141 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 15.881 -14.567 35.836 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 16.054 -13.243 36.599 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 10.287 -11.569 33.993 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 10.565 -12.408 34.424 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 9.362 -11.721 33.761 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.820 -14.856 33.601 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 6.284 -15.671 33.866 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.261 -14.588 32.764 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 13.436 -12.802 34.402 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 14.186 -13.120 34.950 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 12.658 -13.283 34.760 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 20.111 -17.309 40.445 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 19.423 -17.297 39.742 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 19.740 -17.875 41.127 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 5.365 -18.838 39.438 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 4.801 -18.054 39.433 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 4.726 -19.591 39.479 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 14.017 -15.566 37.775 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 14.757 -16.182 37.588 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 14.296 -14.730 37.350 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 4.223 -20.822 33.564 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 4.386 -20.908 34.528 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 4.632 -19.979 33.328 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 6.859 -9.910 28.755 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 7.234 -9.553 29.561 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 5.982 -10.264 29.034 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 9.785 -11.218 25.593 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 9.594 -11.419 24.652 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 10.753 -11.108 25.620 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 11.850 -10.183 32.196 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 12.473 -9.751 32.802 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 11.212 -10.631 32.793 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 12.549 -10.711 25.329 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 12.790 -9.819 25.609 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 13.394 -11.210 25.367 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 6.459 -17.420 34.476 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 6.803 -18.108 33.867 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 5.490 -17.574 34.486 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 17.526 -10.305 27.991 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 17.369 -10.323 28.958 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 18.054 -11.120 27.827 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 6.760 -14.208 31.108 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 6.015 -13.976 30.523 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 7.535 -13.783 30.688 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 11.045 -11.324 29.889 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 10.917 -10.720 29.150 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 11.294 -10.739 30.640 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 12.515 -13.195 31.747 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 12.176 -12.383 31.332 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 12.935 -12.884 32.577 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 2.438 -16.714 31.152 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 2.788 -16.218 31.922 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 3.120 -17.398 30.976 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 2.146 -13.242 28.032 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 3.051 -13.300 28.389 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 1.616 -13.814 28.631 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 9.745 -15.792 30.205 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 9.006 -15.957 29.587 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 10.369 -16.533 30.038 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 3.160 -15.109 33.383 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 2.795 -14.282 32.980 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 4.123 -14.913 33.494 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 4.493 -10.910 29.743 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 4.545 -11.883 29.743 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 3.535 -10.724 29.810 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 11.074 -13.973 35.146 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 11.136 -14.700 35.806 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 10.764 -14.423 34.322 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 7.022 -13.037 27.952 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 7.826 -13.033 28.513 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 7.169 -12.309 27.318 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 0.647 -12.430 22.934 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 1.125 -12.312 23.789 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 0.721 -13.390 22.751 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 11.509 -16.102 36.807 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 11.026 -16.429 37.599 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 12.429 -15.968 37.126 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 9.028 -13.197 29.800 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 9.469 -14.056 29.962 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 9.758 -12.544 29.832 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 18.295 -17.418 38.379 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 17.403 -17.205 38.035 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 18.900 -17.067 37.695 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 12.651 -10.218 34.950 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 13.106 -11.073 34.794 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 11.706 -10.450 34.944 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 4.733 -13.653 29.152 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 4.511 -14.519 28.751 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 5.541 -13.362 28.656 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 3.716 -17.727 34.322 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 3.336 -17.954 35.199 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 3.429 -16.806 34.166 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 4.790 -11.778 25.063 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 4.822 -11.217 24.282 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 5.575 -11.499 25.590 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 7.123 -10.894 26.216 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 8.080 -10.886 25.986 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 7.070 -10.363 27.043 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 15.114 -7.807 25.142 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 15.073 -6.898 25.448 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 15.047 -8.341 25.963 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 10.295 -17.113 39.032 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 9.440 -17.448 39.377 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 10.955 -17.738 39.394 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 20.279 -9.285 32.992 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 21.049 -9.381 32.403 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 20.496 -9.839 33.757 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 17.203 -8.957 34.800 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 16.255 -8.787 35.014 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 17.547 -8.092 34.550 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 16.941 -11.617 30.293 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 17.203 -11.158 31.131 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 17.085 -12.557 30.483 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 14.600 -8.338 35.322 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 13.935 -9.050 35.187 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 14.105 -7.632 35.744 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 17.543 -12.629 37.463 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 17.609 -12.239 38.341 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 18.351 -13.200 37.392 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 1.665 -15.745 35.608 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 2.225 -15.238 34.989 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 0.966 -16.125 35.035 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 2.625 -18.840 36.606 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 1.750 -19.249 36.442 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 2.445 -18.146 37.281 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 18.397 -20.171 38.351 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 18.298 -19.205 38.468 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 17.687 -20.408 37.719 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 10.486 -14.778 32.665 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 10.043 -15.216 31.912 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 11.212 -14.269 32.251 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 15.700 4.150 9.052 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 15.535 3.235 8.747 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 15.258 4.192 9.930 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 15.036 1.943 7.376 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 14.788 2.792 6.947 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 15.441 1.423 6.656 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 14.723 4.525 6.500 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 14.889 5.339 6.018 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 15.107 4.687 7.386 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 12.092 -1.418 4.229 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 11.621 -1.458 3.370 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 12.950 -0.995 4.010 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 10.571 -0.337 8.519 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 10.306 -0.231 7.593 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 11.033 -1.203 8.538 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 18.310 4.710 8.359 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 18.376 5.641 8.583 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 17.396 4.465 8.614 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 14.278 3.914 11.413 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 14.090 3.044 11.796 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 13.656 4.504 11.848 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 16.708 -3.027 8.614 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 16.118 -2.256 8.480 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 17.431 -2.891 7.963 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 13.709 1.330 13.324 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 13.583 0.775 14.126 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 12.789 1.498 13.004 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 13.484 -0.484 15.439 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 13.418 -0.290 16.381 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 14.126 -1.228 15.391 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 11.160 1.750 12.515 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 10.665 1.087 11.984 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 10.489 2.383 12.784 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 21.469 -44.357 19.591 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.064 -43.735 20.232 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 22.433 -44.216 19.702 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 20.913 -41.664 14.219 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 20.898 -40.684 14.194 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 21.756 -41.881 14.672 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 26.096 -42.541 19.039 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 26.155 -42.563 18.051 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.846 -43.108 19.337 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 20.879 -48.425 24.224 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 20.882 -49.381 24.139 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 21.773 -48.212 24.571 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 24.224 -44.438 19.780 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 24.337 -45.009 19.011 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 24.834 -43.691 19.615 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 20.660 -38.953 14.678 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.964 -38.990 15.377 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 21.488 -38.775 15.174 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 14.722 -40.533 10.141 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 15.066 -40.827 9.291 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 15.330 -40.947 10.801 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 21.268 -40.440 17.679 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 21.754 -39.762 17.173 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 21.966 -40.902 18.184 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 29.910 -39.853 20.607 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 30.038 -40.798 20.343 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 29.841 -39.383 19.768 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 20.744 -42.614 21.629 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 21.544 -42.120 21.893 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 20.417 -42.996 22.473 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 18.005 -42.012 21.443 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.926 -42.080 21.124 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 18.046 -42.349 22.345 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 27.419 -43.476 22.556 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 27.501 -42.503 22.476 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 27.017 -43.609 23.445 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 21.978 -46.979 20.256 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 21.667 -46.079 20.021 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 21.404 -47.565 19.757 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 22.511 -41.632 23.585 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 23.256 -41.720 24.215 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 21.800 -42.152 23.987 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 27.887 -44.307 20.040 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 28.116 -45.241 20.046 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 27.697 -44.099 20.989 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.982 -42.423 15.982 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.080 -41.979 16.845 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.437 -43.221 16.183 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 21.362 -44.472 16.814 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 20.474 -44.668 16.469 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 21.245 -44.458 17.787 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 25.067 -48.500 23.123 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 25.920 -48.650 22.712 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 24.709 -47.713 22.659 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 31.446 -41.355 24.541 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 32.366 -41.283 24.817 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 31.284 -40.525 24.021 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 26.087 -39.725 15.978 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 26.591 -39.361 15.243 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 26.448 -39.269 16.767 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 25.765 -42.423 16.372 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 25.903 -41.481 16.142 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 24.898 -42.639 15.979 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.840 -38.344 18.246 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 25.983 -37.884 18.117 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 26.675 -38.954 19.004 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 30.004 -42.500 20.103 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 29.315 -43.141 19.859 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 30.302 -42.797 20.992 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 28.751 -41.360 24.985 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 28.487 -41.896 25.765 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 29.732 -41.404 24.983 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 24.289 -45.410 24.503 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 24.212 -45.604 23.545 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 25.129 -44.913 24.583 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 20.582 -42.804 26.836 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 20.400 -42.790 27.792 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 21.401 -43.342 26.755 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 19.777 -45.939 24.667 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 20.114 -46.787 24.302 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 19.624 -46.129 25.598 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 30.351 -43.174 22.717 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 30.786 -42.633 23.405 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 29.464 -43.339 23.068 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 24.066 -46.261 21.857 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 23.261 -46.676 21.464 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 24.241 -45.495 21.274 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 18.667 -44.361 15.718 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 18.654 -44.144 14.764 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 18.896 -43.508 16.152 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 15.700 -45.551 28.411 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 16.491 -45.043 28.677 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 15.608 -46.229 29.110 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 26.401 -40.086 20.278 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 26.923 -40.263 21.090 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 26.264 -40.972 19.888 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 27.951 -40.755 22.426 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 28.746 -40.392 21.985 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 28.204 -40.801 23.376 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 29.291 -36.942 22.797 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 28.639 -37.282 22.170 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 29.567 -36.080 22.406 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 30.868 -39.191 23.075 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 30.445 -38.317 23.199 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 30.721 -39.393 22.128 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 23.646 -41.333 18.577 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 24.502 -41.770 18.742 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 23.747 -40.449 18.990 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 22.970 -38.759 16.209 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 23.752 -39.280 15.961 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 23.339 -37.994 16.696 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 24.300 -43.342 38.344 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 25.062 -43.187 38.921 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.677 -43.334 37.445 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 16.650 -44.600 31.657 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 17.318 -44.374 32.352 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 17.067 -44.288 30.817 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 21.433 -47.960 35.865 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 20.996 -47.770 36.722 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 22.366 -47.814 36.041 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 25.238 -43.176 35.690 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 24.906 -42.269 35.575 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 24.688 -43.709 35.079 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 27.695 -45.471 40.964 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 28.088 -46.315 40.717 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 27.498 -45.565 41.901 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 19.496 -44.876 38.439 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 20.224 -44.279 38.724 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 19.928 -45.745 38.339 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.919 -41.533 35.006 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 22.959 -42.487 34.801 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 22.591 -41.130 34.177 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 24.757 -39.422 31.160 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 24.203 -39.172 31.925 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 24.861 -38.587 30.658 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 27.679 -43.577 36.820 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 28.199 -44.087 36.192 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 26.787 -43.516 36.403 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 27.398 -43.087 39.576 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 27.707 -43.399 38.705 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 27.538 -43.854 40.168 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 21.708 -43.346 39.230 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 21.855 -43.162 40.185 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 22.617 -43.486 38.875 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 26.941 -40.261 28.503 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 26.302 -40.793 29.029 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 26.969 -39.401 28.962 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.573 -40.176 41.341 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.254 -39.783 40.494 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.382 -39.694 41.532 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.136 -48.784 33.610 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.571 -48.408 34.414 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 20.150 -49.736 33.759 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 27.668 -37.600 29.315 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 27.835 -36.817 28.741 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 28.539 -37.834 29.650 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 23.248 -44.017 33.915 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 22.493 -44.619 33.888 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 23.330 -43.694 32.984 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 20.502 -47.467 38.443 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 19.661 -47.984 38.427 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 20.811 -47.546 39.353 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 20.786 -47.958 31.022 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.470 -48.210 31.912 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 21.736 -47.860 31.128 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 19.897 -47.659 28.446 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 19.008 -48.020 28.478 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 20.223 -47.743 29.371 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 22.636 -42.665 41.765 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 23.265 -42.924 42.452 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 22.899 -41.739 41.540 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 24.220 -42.042 25.709 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 23.726 -42.718 26.220 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 24.200 -41.242 26.285 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 25.374 -41.841 30.191 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 25.153 -40.965 30.584 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 24.702 -42.440 30.559 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 17.275 -43.584 39.408 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 17.673 -43.278 40.263 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 17.997 -44.099 38.983 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 20.208 -42.490 29.674 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 20.098 -42.604 30.654 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 20.594 -41.611 29.586 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 23.077 -38.655 33.173 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 22.522 -39.394 32.814 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 23.055 -38.788 34.128 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 27.356 -40.946 37.826 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 27.602 -41.678 37.236 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 27.389 -41.344 38.719 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.010 -37.122 29.776 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 24.896 -36.166 29.833 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 25.957 -37.238 29.541 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 23.048 -42.961 31.392 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 22.482 -43.232 30.657 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 22.584 -42.172 31.777 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 27.730 -42.541 27.232 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 27.635 -43.149 27.974 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 27.458 -41.668 27.603 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 22.320 -46.792 27.522 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 21.459 -47.171 27.802 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 22.647 -47.414 26.844 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 25.361 -37.502 44.763 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 25.700 -38.359 44.434 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 25.165 -37.674 45.706 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 27.980 -38.967 26.243 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 27.520 -39.329 27.025 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 28.234 -39.756 25.729 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 20.890 -39.769 43.569 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 20.608 -39.766 42.636 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 20.804 -40.700 43.840 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 26.352 -43.594 25.037 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.592 -42.975 25.147 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.941 -43.375 25.787 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 18.449 -42.970 44.346 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 18.244 -43.936 44.357 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 19.434 -42.931 44.396 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 22.851 -44.319 26.570 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 23.297 -44.667 25.766 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 22.666 -45.127 27.105 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 23.396 -47.927 25.204 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.686 -46.992 25.125 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.001 -48.412 24.602 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 26.489 -34.311 25.028 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.083 -35.097 25.022 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 25.982 -34.387 24.187 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 16.624 -46.113 37.523 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 16.463 -47.025 37.211 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 17.533 -46.133 37.857 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 21.519 -41.139 37.510 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 22.069 -41.373 36.733 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 21.567 -41.931 38.088 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.498 -36.757 38.083 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 24.864 -37.642 37.832 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 23.525 -36.890 38.077 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 25.920 -38.779 37.068 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 26.070 -38.881 36.124 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 26.387 -39.550 37.469 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 27.987 -35.356 27.810 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 27.098 -34.944 27.796 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.130 -35.652 26.884 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 14.501 -39.420 44.427 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 13.745 -39.342 43.808 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 14.604 -40.378 44.552 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 19.939 -35.757 53.192 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 19.047 -35.784 52.791 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 20.246 -36.685 53.149 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 21.076 -42.615 44.046 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 21.937 -42.433 44.480 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 21.317 -42.814 43.121 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 21.953 -38.295 50.320 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 21.436 -38.260 51.146 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 22.608 -37.560 50.417 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 26.041 -40.177 44.708 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 25.610 -40.464 45.538 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.722 -40.838 44.554 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 20.566 -38.475 47.913 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.044 -38.443 48.774 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 19.944 -39.225 48.011 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 24.431 -40.759 46.967 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 24.425 -39.779 47.054 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 24.035 -41.069 47.805 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 22.547 -46.025 52.918 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 22.276 -46.926 52.733 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 23.325 -46.117 53.469 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.622 -41.848 44.563 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 23.823 -41.618 45.494 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 23.883 -41.061 44.065 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.224 -38.043 47.165 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.236 -37.176 47.633 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 23.358 -38.054 46.698 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 22.013 -38.237 45.596 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 21.384 -38.309 46.350 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 21.627 -38.822 44.906 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 18.363 -38.853 51.023 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 17.786 -38.729 50.237 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 18.932 -39.620 50.782 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 20.424 -38.445 52.752 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 19.635 -38.607 52.190 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.620 -39.307 53.138 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 23.230 -40.670 49.609 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 22.745 -39.830 49.755 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 23.928 -40.654 50.269 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 24.238 -22.541 3.121 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 23.464 -22.990 3.522 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.845 -21.869 2.545 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 25.065 -25.470 7.101 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 25.374 -24.937 6.331 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.396 -24.970 7.884 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.826 -25.872 3.429 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 21.375 -26.573 3.802 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.087 -25.776 4.073 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 22.241 -20.885 4.941 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 22.360 -20.694 3.990 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 22.199 -21.863 4.978 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 17.594 -23.623 3.233 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 16.897 -22.940 3.327 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 17.260 -24.213 2.538 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.962 -23.013 1.423 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 19.692 -23.545 2.187 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 19.373 -22.226 1.461 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 22.023 -23.555 4.310 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 22.202 -23.932 5.208 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 21.587 -24.286 3.830 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 18.592 -25.518 4.895 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 18.279 -24.797 4.302 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 17.923 -25.538 5.618 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 21.978 -21.107 2.144 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 21.465 -21.926 1.988 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.555 -20.455 1.576 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 20.251 -19.178 7.964 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 19.684 -19.967 7.863 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 19.767 -18.474 7.475 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 25.567 -24.002 9.323 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.758 -23.440 9.283 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 25.848 -23.943 10.237 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 19.867 -26.333 8.319 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 18.976 -26.419 8.717 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 19.831 -26.911 7.524 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 25.734 -23.709 5.115 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 25.200 -23.376 4.362 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 26.458 -23.082 5.183 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 19.829 -19.595 4.927 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 20.036 -18.781 5.413 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 20.661 -20.112 4.959 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.136 -26.394 19.934 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 25.503 -27.261 19.663 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 25.844 -25.767 19.737 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 27.524 -18.443 21.033 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 26.800 -18.424 20.365 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 27.580 -19.382 21.293 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 25.820 -28.916 18.957 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 26.464 -29.506 19.409 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 24.949 -29.274 19.213 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 19.752 -30.220 15.755 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 19.421 -29.336 15.437 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 20.245 -30.008 16.559 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 24.806 -28.038 16.580 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 25.492 -27.756 15.968 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.298 -28.319 17.382 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 18.793 -32.447 14.521 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.945 -31.614 15.032 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.681 -32.730 14.272 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 18.393 -28.439 12.522 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 18.589 -28.167 13.462 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 19.208 -28.234 12.046 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 24.425 -37.085 17.972 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 24.053 -37.650 18.683 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 24.514 -36.200 18.389 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 28.184 -16.320 15.042 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 27.588 -15.653 14.686 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 28.319 -16.945 14.290 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 22.330 -29.183 16.867 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 21.969 -29.403 15.998 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 23.191 -28.752 16.665 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 29.905 -21.147 22.506 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 28.961 -20.946 22.356 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 29.961 -22.103 22.398 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 28.260 -17.813 12.783 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 28.953 -17.968 12.136 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 27.432 -18.071 12.313 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 26.134 -18.720 11.347 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.829 -19.586 11.623 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.530 -18.478 10.609 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 28.183 -36.435 25.272 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 28.083 -37.344 25.649 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 28.685 -36.577 24.440 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 23.098 -28.790 19.502 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 22.681 -29.040 18.645 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 23.354 -27.861 19.380 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 15.676 -27.963 11.952 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 15.534 -27.002 11.885 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 16.589 -28.049 12.311 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 28.131 -29.168 22.826 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 27.424 -28.581 23.171 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 28.305 -29.785 23.552 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 16.281 -29.071 9.517 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 16.556 -30.014 9.563 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 15.944 -28.877 10.418 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 27.947 -26.473 21.416 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 28.643 -27.137 21.344 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 27.306 -26.868 22.039 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 27.435 -36.154 19.943 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 27.428 -36.873 19.285 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 26.580 -35.697 19.808 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 24.147 -27.677 8.439 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.484 -26.859 8.013 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 24.562 -28.386 7.944 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 22.006 -26.882 10.039 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 21.357 -26.840 9.313 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 22.820 -27.231 9.612 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 24.707 -31.847 21.324 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 25.520 -31.352 21.098 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 24.091 -31.159 21.646 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.989 -34.810 19.470 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 25.281 -33.896 19.357 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.129 -34.727 19.941 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 27.121 -30.580 20.712 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 27.540 -29.943 21.332 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 27.430 -31.455 21.032 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 20.485 -20.590 13.879 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 21.299 -20.375 13.405 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 20.508 -21.575 13.961 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 23.265 -19.592 22.408 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 22.644 -20.282 22.671 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.950 -20.072 21.889 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 23.074 -29.712 22.039 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.117 -29.369 21.114 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 22.141 -29.647 22.270 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.477 -19.335 24.005 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 26.573 -19.945 23.245 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.780 -18.482 23.662 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 17.842 -24.812 12.287 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 18.207 -25.288 13.069 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 18.618 -24.673 11.721 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 17.730 -20.657 13.375 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 18.695 -20.586 13.508 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 17.416 -19.718 13.393 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 27.167 -21.067 21.928 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 27.361 -22.035 21.947 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.310 -21.008 21.423 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 31.711 -19.324 23.469 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 30.952 -19.856 23.124 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 32.424 -19.964 23.556 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 22.496 -24.553 6.752 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.168 -24.413 7.655 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.387 -24.944 6.877 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 20.575 -23.328 13.894 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 20.163 -24.155 14.235 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 20.902 -23.579 13.016 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 16.289 -22.982 13.748 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 16.789 -23.695 13.295 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 16.889 -22.204 13.707 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.211 -34.162 22.660 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 24.450 -34.764 22.714 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.882 -33.403 22.124 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 27.644 -32.735 22.313 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 27.834 -32.401 23.216 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 26.856 -33.302 22.428 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 22.788 -20.308 7.681 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 22.831 -20.512 6.724 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 21.906 -19.906 7.798 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 17.345 -26.502 9.434 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 17.285 -26.201 10.354 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 17.016 -27.429 9.462 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 25.782 -17.169 28.584 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 25.520 -17.861 29.221 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.462 -17.510 27.719 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.314 -21.324 25.728 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.885 -22.152 25.480 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.976 -20.673 25.078 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 21.011 -24.015 9.161 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 20.943 -24.232 10.111 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 20.560 -24.768 8.715 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 24.200 -22.627 24.070 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 24.108 -22.469 23.100 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.320 -23.583 24.138 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.603 -25.196 11.670 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 21.180 -25.861 11.221 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.389 -25.610 12.536 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 26.103 -27.444 23.332 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 25.392 -27.943 23.782 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 25.732 -26.543 23.231 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.031 -25.086 22.362 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 25.001 -25.676 21.579 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.576 -24.258 22.053 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 27.826 -31.910 24.987 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 28.170 -31.802 25.893 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 27.310 -32.742 25.030 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 25.657 -33.840 27.566 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.765 -33.966 26.597 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.785 -33.401 27.654 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 29.406 -14.369 22.986 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 29.218 -15.016 22.266 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 30.323 -14.571 23.256 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 30.778 -17.923 25.609 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 31.366 -17.185 25.817 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 31.239 -18.409 24.892 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 30.974 -16.504 19.377 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 31.809 -16.504 18.897 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 30.293 -16.415 18.674 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 14.995 -34.229 9.316 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 15.413 -34.859 9.937 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 14.122 -34.635 9.124 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 29.347 -34.676 21.315 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 28.888 -33.861 21.594 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 28.708 -35.121 20.722 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 18.718 -17.381 6.574 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 18.935 -16.490 6.245 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 17.846 -17.270 7.001 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 18.133 -29.743 36.791 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 18.238 -30.287 37.582 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 18.135 -30.396 36.046 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 21.806 -20.742 33.280 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 21.589 -21.646 33.608 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 22.687 -20.848 32.855 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.605 -24.743 33.910 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 23.231 -24.762 33.003 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 24.403 -24.188 33.822 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 21.707 -36.745 38.092 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.225 -36.440 38.893 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.136 -36.452 37.342 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 19.964 -17.650 28.874 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 20.532 -18.168 29.458 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 19.095 -18.061 28.961 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 24.887 -35.803 35.469 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.736 -34.870 35.726 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 24.902 -36.278 36.317 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 24.470 -27.034 35.248 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.089 -26.595 35.841 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.988 -26.294 34.813 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.440 -20.901 32.525 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.891 -20.331 33.186 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.883 -21.773 32.619 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 23.447 -29.590 35.433 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 23.849 -28.699 35.533 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 23.560 -30.007 36.321 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 18.394 -25.589 40.341 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 18.026 -25.667 41.247 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 18.864 -24.745 40.345 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 18.966 -22.756 39.011 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 18.926 -21.795 38.821 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 18.124 -22.941 39.470 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 25.076 -19.294 30.360 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 24.815 -20.017 30.973 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 25.661 -19.739 29.699 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 22.738 -39.153 38.954 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 22.345 -39.847 38.386 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 22.283 -38.333 38.680 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 28.141 -32.499 27.719 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 28.653 -33.290 27.945 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 27.213 -32.791 27.791 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.644 -30.940 37.782 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 22.885 -31.447 38.140 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.274 -30.888 38.538 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 20.044 -32.088 40.429 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 19.220 -32.572 40.202 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 20.627 -32.230 39.650 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.934 -28.763 24.499 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.216 -29.159 25.035 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.778 -29.120 23.599 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 26.897 -36.430 39.459 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 26.084 -36.573 38.933 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 27.583 -36.883 38.960 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 24.332 -30.821 29.961 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 25.295 -30.837 29.988 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.073 -30.597 30.874 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 23.420 -33.073 33.729 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 23.467 -33.978 33.364 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 23.583 -33.192 34.682 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 24.169 -33.387 36.550 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 24.104 -32.423 36.694 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 24.162 -33.758 37.454 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 25.230 -25.394 31.300 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 24.337 -25.124 31.020 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 25.106 -26.305 31.646 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.375 -23.209 34.489 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 22.146 -23.804 34.393 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 20.879 -23.582 35.248 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 18.324 -28.185 39.470 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 18.422 -27.221 39.643 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 18.388 -28.260 38.511 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 22.716 -24.151 31.321 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 22.990 -23.510 30.622 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 21.754 -24.125 31.298 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 25.836 -23.284 32.875 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.782 -23.120 32.809 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 25.671 -24.011 32.223 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 21.563 -16.349 27.071 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 21.871 -16.926 26.353 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 21.032 -16.941 27.641 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 19.999 -35.907 36.061 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 20.264 -36.048 35.126 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.072 -35.627 36.004 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.654 -23.966 36.607 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.617 -23.586 37.513 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 19.022 -24.724 36.644 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 25.070 -18.609 26.303 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.643 -18.807 25.532 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 24.836 -19.489 26.656 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 23.571 -21.081 26.269 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 23.814 -21.583 25.460 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 22.962 -20.394 25.946 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 20.839 -29.464 34.619 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 21.758 -29.534 34.959 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 20.304 -29.314 35.410 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 23.723 -30.465 32.815 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 23.633 -30.098 33.723 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 23.714 -31.439 32.956 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.715 -20.255 28.413 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 27.433 -19.691 28.061 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.686 -21.005 27.800 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.417 -32.061 27.661 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 23.476 -31.361 27.000 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.650 -31.613 28.506 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 18.995 -19.087 35.414 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 19.067 -20.056 35.275 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 18.090 -18.866 35.074 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.680 -19.128 26.817 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 28.454 -19.963 26.361 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 29.482 -18.802 26.344 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 24.705 -24.066 27.256 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 24.753 -24.978 26.894 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 24.320 -23.549 26.543 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 27.515 -23.758 21.915 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 27.924 -24.611 21.663 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 26.624 -24.006 22.216 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 19.826 -32.111 44.774 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 19.914 -31.514 43.991 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 18.855 -32.265 44.846 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 23.381 -22.606 29.147 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 23.286 -21.883 28.511 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 23.943 -23.261 28.675 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 24.780 -26.571 26.084 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 24.291 -27.190 25.508 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 25.417 -27.130 26.540 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 21.815 -32.928 38.549 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 22.546 -33.434 38.969 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 21.419 -33.554 37.930 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.436 -31.195 39.846 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 25.230 -31.386 40.779 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.168 -31.783 39.642 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 22.369 -32.481 41.916 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 21.537 -32.314 41.431 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 22.368 -31.809 42.631 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 25.742 -35.076 41.481 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 26.299 -35.520 40.798 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 25.646 -35.742 42.175 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 19.917 -30.488 42.637 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 19.226 -29.792 42.536 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 19.916 -30.952 41.770 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 25.059 -32.592 42.338 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 24.083 -32.626 42.199 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 25.374 -33.472 42.035 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 24.402 -35.472 48.103 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 25.214 -34.915 48.123 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 23.663 -34.819 48.095 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 22.669 -18.618 25.017 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.516 -18.403 25.459 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 22.913 -18.731 24.078 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 16.762 -27.818 35.251 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 17.100 -28.199 34.415 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 17.131 -28.407 35.944 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 18.864 -21.804 35.147 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 19.144 -22.539 35.740 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 19.223 -22.053 34.284 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 20.997 -19.287 37.322 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.330 -19.187 36.611 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 20.505 -19.716 38.041 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 23.279 -17.653 37.911 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 22.991 -17.077 38.650 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 22.578 -18.330 37.850 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 21.281 -17.942 32.993 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 21.284 -18.915 33.124 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 21.922 -17.797 32.258 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 23.022 -19.620 35.478 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 22.422 -19.658 36.250 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 22.515 -20.050 34.762 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 23.663 -35.859 33.071 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 23.607 -36.800 32.824 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 24.207 -35.861 33.892 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 24.611 -27.773 32.557 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 24.323 -28.699 32.474 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 24.664 -27.625 33.520 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 27.891 -16.463 26.956 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 27.154 -16.597 27.584 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.246 -17.364 26.813 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 18.595 -34.797 49.635 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 19.301 -34.197 49.969 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 18.277 -35.262 50.438 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.898 -33.768 51.784 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 23.096 -33.711 52.340 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 23.824 -33.006 51.179 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 26.275 -31.957 50.123 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 26.352 -32.101 51.071 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 25.333 -31.708 49.995 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 24.101 -34.312 39.248 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 24.229 -35.209 38.879 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 24.527 -34.355 40.125 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 12.794 -34.882 52.139 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 12.560 -35.200 53.045 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 13.019 -33.955 52.267 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.644 -33.193 50.481 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.731 -32.223 50.374 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.985 -33.364 51.384 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.164 -32.550 45.108 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.050 -32.338 45.427 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.235 -32.476 44.129 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 22.841 -30.759 43.997 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.265 -29.989 44.081 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 23.642 -30.513 44.473 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 21.337 -31.607 46.966 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 20.769 -31.773 46.181 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 21.049 -30.732 47.290 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.406 -33.634 48.389 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 21.712 -33.752 49.070 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.003 -33.007 47.743 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 23.565 -31.721 49.971 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 22.788 -31.139 50.098 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 23.268 -32.369 49.293 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 21.478 -33.559 53.101 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 21.394 -33.185 53.983 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 20.977 -34.413 53.154 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 17.597 -36.273 51.771 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 17.856 -37.194 51.563 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 16.622 -36.319 51.882 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 23.729 -36.292 50.653 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 24.011 -36.046 49.751 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.866 -35.475 51.176 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 26.663 -33.911 48.261 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.481 -34.310 48.568 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 26.545 -33.126 48.842 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 26.163 -1.677 7.512 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 26.201 -1.918 8.460 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 26.969 -2.089 7.127 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 16.994 -6.501 2.773 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 17.854 -6.389 2.303 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 16.361 -5.953 2.245 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.753 -4.640 3.785 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.492 -5.271 3.870 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 21.066 -3.836 4.272 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 26.240 -4.244 4.365 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 26.381 -4.161 3.416 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 25.784 -5.111 4.467 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 24.869 -6.602 4.687 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 23.925 -6.741 4.439 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.277 -7.466 4.558 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 16.019 -0.037 5.608 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 16.958 -0.243 5.522 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 15.738 -0.527 6.410 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 25.268 0.863 8.132 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.112 1.207 8.497 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.513 -0.001 7.747 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 21.207 -6.167 6.685 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 22.123 -5.846 6.872 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 20.668 -5.367 6.705 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 22.190 -6.996 4.276 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.769 -6.881 5.160 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 21.543 -7.504 3.770 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 17.816 -18.445 3.564 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 18.596 -18.893 3.972 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 18.062 -17.496 3.563 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 21.677 -2.690 5.399 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 21.461 -1.773 5.694 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.637 -2.777 5.587 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 21.448 -16.672 5.305 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.379 -16.905 5.234 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.357 -16.323 6.217 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 21.073 -15.725 7.910 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 20.248 -15.681 8.447 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 21.694 -16.212 8.479 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 29.241 -8.746 20.049 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 30.005 -9.207 20.453 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 28.475 -9.236 20.375 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 18.864 -17.164 11.725 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 18.148 -17.542 12.292 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 19.440 -16.689 12.362 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 18.705 -8.388 13.019 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 17.925 -8.953 12.845 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 18.653 -8.195 13.971 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 28.863 -6.072 19.856 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 29.684 -5.672 19.557 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 29.070 -7.031 19.916 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 21.057 -14.500 17.481 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 20.377 -13.855 17.759 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 20.887 -15.282 18.039 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 19.222 -12.383 15.313 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 19.870 -12.228 14.590 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 19.001 -13.339 15.236 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 24.579 -9.388 16.893 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 25.475 -9.118 17.197 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 24.636 -10.366 16.831 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 26.347 -6.738 20.687 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.656 -6.263 20.184 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 27.190 -6.333 20.378 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 23.923 -6.059 19.306 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.198 -5.458 19.023 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 23.515 -6.619 19.976 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.984 -9.143 17.857 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.702 -10.055 17.709 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.941 -9.148 17.631 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 23.812 -6.705 16.568 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 24.098 -7.636 16.505 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 24.036 -6.448 17.484 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.860 -8.114 23.937 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 24.744 -8.066 23.519 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.244 -8.182 23.189 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.665 -7.233 9.220 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.587 -6.954 9.213 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 21.351 -7.043 8.316 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 19.602 -3.810 19.934 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 19.308 -3.370 20.733 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 18.857 -4.410 19.700 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.073 -4.785 15.627 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 22.863 -5.360 15.717 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 21.937 -4.429 16.524 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 29.320 -0.105 10.723 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 29.929 -0.046 11.462 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 29.037 -1.048 10.718 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.565 -4.892 18.409 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 21.021 -5.629 18.077 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 20.950 -4.383 18.989 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 31.718 -16.719 22.515 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 31.722 -17.654 22.811 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 31.549 -16.773 21.561 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 24.850 -12.125 17.070 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 24.430 -12.692 16.394 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 24.829 -12.672 17.881 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 30.439 -12.430 25.627 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.685 -13.064 25.634 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 31.080 -12.836 25.018 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.499 -17.751 9.945 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 20.851 -17.608 10.652 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.034 -18.335 9.308 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 30.735 -10.433 21.675 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 31.549 -10.314 22.225 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 30.787 -11.348 21.376 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 22.163 -14.012 13.990 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 21.635 -14.828 13.862 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 22.759 -14.226 14.733 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.287 -16.066 13.852 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 20.436 -16.858 14.413 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.577 -15.577 14.316 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 27.049 -9.092 18.053 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 27.351 -10.030 17.989 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 27.844 -8.606 18.319 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 21.705 -7.922 29.360 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 21.028 -8.017 28.679 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 21.330 -7.250 29.980 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 27.422 -11.744 18.080 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 26.612 -11.918 17.565 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 27.647 -12.609 18.472 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.302 -22.509 9.298 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.454 -22.991 9.229 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 23.183 -21.731 8.717 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 27.717 -12.353 23.511 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 27.598 -12.773 24.382 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 28.309 -12.975 23.031 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 26.505 -8.046 23.112 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 27.317 -8.598 23.094 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.529 -7.552 22.261 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 20.662 -6.992 16.728 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 21.301 -7.677 17.020 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 21.188 -6.402 16.154 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 19.990 -8.542 19.752 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 20.455 -8.447 20.604 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.707 -8.673 19.102 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 28.582 -9.823 23.292 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 29.418 -9.862 22.780 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 28.250 -10.749 23.274 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 19.884 -8.869 10.518 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 20.598 -8.271 10.204 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 19.700 -8.568 11.432 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 27.772 1.448 9.092 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 28.448 2.003 8.699 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 28.269 0.861 9.705 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 25.910 -2.210 10.192 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 25.046 -2.678 10.301 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.723 -1.306 10.474 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 23.774 -5.442 7.071 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 23.946 -4.493 6.886 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.351 -5.912 6.444 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 28.809 -16.066 20.988 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 29.606 -16.290 20.461 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 28.343 -16.929 21.096 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 20.884 -11.801 13.172 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 21.516 -11.167 12.815 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 21.425 -12.611 13.347 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 33.786 -13.187 23.295 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 33.082 -13.772 23.649 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 34.555 -13.758 23.224 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 24.932 -14.259 18.884 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 24.558 -14.534 19.748 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 25.904 -14.360 18.999 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 28.504 -2.706 10.849 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 28.714 -3.611 10.603 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 27.546 -2.617 10.646 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 24.342 -2.998 5.997 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 24.828 -2.368 6.578 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 25.010 -3.276 5.340 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 23.405 -3.172 10.394 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 22.649 -2.548 10.496 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.065 -3.858 9.813 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 16.056 -9.457 23.191 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 16.756 -9.781 23.786 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 15.604 -8.761 23.714 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 28.022 -3.156 6.206 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 28.899 -3.213 5.821 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 27.439 -3.581 5.545 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.359 -11.064 23.548 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 26.221 -11.507 23.413 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 25.567 -10.121 23.507 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 17.551 -10.677 25.257 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 18.318 -11.259 25.162 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 17.637 -10.312 26.163 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 28.724 -10.321 26.093 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 28.585 -9.986 25.183 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 29.460 -10.967 25.996 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 25.285 -9.218 20.172 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 25.761 -9.380 19.336 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 25.589 -8.331 20.447 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 32.908 -10.628 23.276 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 33.348 -10.242 24.038 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 33.265 -11.546 23.231 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 31.801 -14.726 24.371 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 31.847 -15.560 23.846 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 31.744 -15.030 25.306 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 31.603 -15.344 27.038 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 31.726 -14.499 27.519 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 31.066 -15.880 27.637 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 16.488 1.390 13.549 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 15.523 1.524 13.453 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 16.854 2.278 13.525 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 19.019 -2.101 12.178 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.687 -2.508 12.783 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 18.654 -2.861 11.685 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 18.319 -8.084 15.904 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 19.190 -7.663 16.096 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 17.844 -8.034 16.756 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 17.277 -10.512 15.231 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 18.033 -11.145 15.229 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 17.690 -9.645 15.451 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 27.650 -14.403 19.081 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 28.024 -15.036 18.432 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 27.982 -14.729 19.943 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 20.490 -18.292 15.452 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 20.271 -19.022 14.835 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 21.301 -18.600 15.905 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 28.772 -16.502 17.670 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 28.347 -17.352 17.837 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.683 -16.377 16.691 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 24.115 -18.561 9.470 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 23.264 -18.176 9.763 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 23.859 -19.214 8.791 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 23.530 -14.441 16.456 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 24.065 -14.550 17.266 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 22.598 -14.449 16.783 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 21.127 -0.305 6.506 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 21.748 0.413 6.738 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 20.527 -0.355 7.277 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 28.990 -13.470 35.486 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 29.756 -12.924 35.266 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 28.748 -13.193 36.379 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 17.816 -10.364 32.487 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 17.384 -10.037 33.298 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 18.723 -9.992 32.538 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 18.846 -11.087 35.527 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 18.316 -11.553 36.198 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 18.302 -10.309 35.291 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 20.437 -13.051 34.466 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 21.180 -12.491 34.148 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 19.844 -12.416 34.928 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 26.900 -13.122 33.737 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 27.673 -13.325 34.300 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 26.130 -13.311 34.316 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 22.499 -14.579 37.175 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.561 -14.992 38.058 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.609 -15.323 36.554 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 26.828 -6.792 29.669 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 25.856 -6.783 29.530 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 27.173 -7.326 28.922 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 22.250 -16.784 35.368 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 22.193 -17.314 34.551 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 22.902 -17.263 35.916 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 20.930 -6.025 31.141 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 20.628 -6.215 32.036 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 21.733 -5.477 31.267 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 25.470 -19.126 34.393 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 24.657 -19.251 34.937 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 26.142 -18.808 35.037 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 27.507 -9.300 30.732 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 27.300 -8.349 30.673 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 28.212 -9.352 31.414 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 32.532 -10.165 28.228 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 31.764 -9.588 28.440 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 33.274 -9.557 28.170 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 22.435 -9.800 31.200 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 23.366 -9.912 30.970 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 22.085 -9.213 30.493 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 30.268 -8.817 28.987 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 29.474 -8.342 28.683 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 29.923 -9.657 29.342 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 19.677 -16.581 36.104 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 19.342 -17.451 35.781 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 20.654 -16.642 35.981 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.408 -14.201 25.568 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.223 -15.001 26.120 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 28.628 -14.565 24.687 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 24.670 -13.883 35.289 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 24.928 -14.759 35.662 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.958 -13.580 35.879 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 24.360 -13.223 32.621 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 24.272 -13.693 33.475 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 25.301 -12.985 32.582 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 29.867 -9.685 32.054 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 30.660 -9.141 32.001 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 29.997 -10.365 31.372 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 27.288 -18.009 36.157 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 27.875 -18.364 36.833 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 27.863 -17.385 35.644 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 28.824 -16.208 34.890 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 28.961 -16.215 33.914 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 28.879 -15.265 35.129 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 31.494 -12.710 28.123 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 32.083 -11.932 28.246 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 31.116 -12.580 27.227 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 29.635 -11.418 29.778 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 30.298 -11.973 29.312 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 29.130 -12.060 30.335 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 22.391 -11.503 33.347 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 22.386 -10.892 32.586 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 23.123 -12.124 33.147 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 26.993 -6.620 25.570 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 27.491 -5.767 25.537 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 26.918 -6.891 24.635 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 27.332 -4.325 28.519 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 26.611 -3.818 28.905 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 27.342 -5.157 29.033 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 23.414 -4.830 31.170 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 24.187 -4.710 31.735 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.743 -5.380 30.421 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 22.282 -15.869 39.712 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 22.535 -15.386 40.505 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 21.462 -16.355 39.976 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 24.547 -7.396 26.503 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 25.416 -7.025 26.232 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 24.121 -7.647 25.650 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 24.131 -6.538 29.127 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 24.267 -6.582 28.156 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 23.356 -7.117 29.282 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 29.184 -15.914 32.210 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 29.896 -15.587 31.656 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 28.393 -15.860 31.641 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 28.359 -4.294 25.983 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 28.921 -3.518 25.938 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 28.004 -4.280 26.903 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 28.030 -13.064 31.215 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 27.719 -12.923 32.137 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 27.637 -13.928 30.963 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 25.669 -17.327 32.254 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 25.679 -17.764 33.131 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 25.667 -18.070 31.619 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 24.406 -3.584 38.878 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 24.064 -3.979 39.681 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 24.852 -2.790 39.173 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 24.576 -9.515 28.323 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 24.497 -8.765 27.695 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 23.776 -10.053 28.157 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 27.915 -8.186 27.556 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 27.568 -7.516 26.919 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 28.385 -8.830 26.985 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 25.170 -16.265 36.517 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 24.605 -16.787 37.123 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 25.959 -16.825 36.387 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 22.913 -2.520 29.745 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 22.013 -2.610 29.432 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 23.052 -3.302 30.306 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 19.754 -14.142 37.332 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 19.641 -15.007 36.892 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 20.714 -13.963 37.257 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 16.145 -16.940 36.715 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 15.787 -17.833 36.596 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 16.599 -16.756 35.858 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 23.119 -17.497 31.092 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 23.606 -18.221 30.653 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 23.819 -16.982 31.536 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 26.899 -15.511 30.604 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 26.544 -15.941 29.799 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 26.414 -15.951 31.339 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 19.318 -5.665 1.690 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 19.427 -5.144 0.888 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 19.892 -5.221 2.347 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 22.598 1.535 8.032 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 23.573 1.441 7.916 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 22.442 1.247 8.936 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 19.574 -0.295 8.738 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 18.664 -0.472 9.002 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 19.617 0.692 8.665 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 16.833 -1.286 13.607 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 16.838 -0.300 13.665 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 17.655 -1.500 13.110 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 21.010 -3.407 13.472 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 21.259 -3.909 14.280 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 21.841 -3.307 12.995 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 21.198 -1.606 10.539 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 20.769 -1.146 9.789 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.487 -1.681 11.205 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 19.774 2.356 8.330 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 20.677 2.579 8.047 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 19.290 3.211 8.288 1.00 0.00 WAT1 END